#DEFINITION	Reference Metabolome for Broussonetia papyrifera
#IDENTTFIER	RefMeta-Broussonetia papyrifera.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Broussonetia papyrifera
#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 Broussonetia papyrifera was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43489	0.6
69.43907	1.3
78.95902	100.0
96.96958	5.8
110.19865	0.3
139.90189	0.2
140.01207	0.4
152.99583	20.0
171.00635	21.7
214.04868	0.4
224.66867	0.3
241.33813	0.3
277.21713	0.4
279.23282	1.9
311.16870	0.4
348.79291	0.3
402.24203	3.0
476.27811	89.8
477.28134	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	997.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56252	0.5
78.95905	23.7
92.46886	0.6
96.96967	1.6
130.53589	0.5
150.98079	0.6
152.99585	36.8
157.97360	0.5
171.00658	7.0
224.08345	0.5
227.03275	2.6
245.04295	22.5
253.21730	12.5
312.62811	0.5
481.25702	100.0
482.26068	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	997.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56372	0.4
75.32289	0.2
76.62951	0.2
78.95897	25.9
82.75008	0.2
96.96948	1.7
128.89557	0.2
150.97960	0.5
152.99571	38.6
153.99904	0.3
163.65726	0.2
171.00624	8.8
227.03198	2.5
245.04277	42.6
246.04643	0.7
253.21700	18.1
254.22012	0.5
460.31778	0.2
481.25662	100.0
482.26056	4.4
625.26849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.2
69.49624	0.1
69.97884	0.4
70.15971	0.1
71.01376	1.4
72.99273	0.1
73.02926	0.3
81.03440	0.1
81.89870	0.1
83.01366	0.1
84.93236	0.1
85.02935	0.3
87.00867	0.3
89.02442	1.1
97.02956	0.2
97.06574	0.2
98.92284	0.1
99.00890	0.1
99.08131	0.3
101.02444	1.1
113.02467	0.5
113.09718	0.5
115.07640	0.9
119.03501	0.3
121.03014	0.1
125.02435	0.5
126.06820	0.1
127.07621	0.4
127.11298	0.1
128.08459	0.5
129.09201	0.2
139.11264	0.1
141.09308	0.1
141.99019	0.1
143.03387	0.2
155.10680	0.1
161.04527	0.2
165.12808	0.1
167.10649	0.1
167.14404	2.3
171.10307	0.1
177.12860	0.2
179.05594	0.3
179.10641	0.1
181.12325	0.2
183.13892	1.9
185.15457	0.1
195.13890	9.0
196.14275	0.2
197.11792	0.2
211.13391	1.3
213.14984	1.0
214.33846	0.1
221.06567	0.1
228.10963	0.1
229.14388	0.2
235.08228	0.5
239.23747	0.3
240.26114	0.1
241.14406	0.4
242.15179	0.9
247.20662	0.1
249.22214	0.4
251.45811	0.1
253.09164	0.1
265.21790	0.6
267.23303	0.7
275.20068	0.4
277.21689	3.1
278.22000	0.4
283.22717	0.5
287.07761	0.2
291.19556	0.2
293.21222	7.4
294.21494	0.3
296.32098	0.1
305.08734	0.2
309.20786	0.5
310.21021	0.2
311.22253	100.0
312.22601	4.1
397.13464	5.9
398.13745	0.5
399.14047	0.2
415.14487	1.9
416.14954	0.1
675.35114	0.4
681.65735	0.1
744.10461	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.6
71.01378	8.5
72.99285	0.7
73.02950	1.7
81.03441	0.5
83.01374	1.1
83.05000	0.4
85.02945	2.4
87.00873	2.4
89.02444	8.0
95.01353	0.7
97.02949	1.5
97.06535	0.3
99.00838	0.4
99.08156	1.5
101.02435	6.6
101.03098	0.3
109.02914	0.2
111.08167	0.5
113.01716	0.2
113.02451	3.5
113.09724	1.7
119.03503	2.2
121.10174	0.4
122.31923	0.2
123.08154	0.3
125.02444	3.3
125.09715	0.5
127.07681	0.5
127.11319	0.9
129.09222	3.0
131.03461	0.5
133.05043	0.2
136.11385	0.2
139.03987	0.3
139.11301	2.0
141.09215	0.3
143.03534	1.4
151.11243	0.7
153.09193	0.5
153.12813	0.5
155.10779	0.7
161.04576	1.6
163.11295	0.4
165.09074	0.3
165.12842	0.2
167.10709	0.4
167.14398	0.5
169.12320	1.4
171.10262	10.2
172.10591	0.4
179.05591	1.6
181.12335	2.4
183.10304	0.9
183.13866	1.4
185.11787	1.5
193.12280	0.9
195.13730	0.3
197.11813	4.6
199.13390	2.5
201.11330	1.9
211.13380	9.7
212.13622	0.2
217.07201	0.3
221.06645	0.7
227.12852	0.4
235.08218	3.5
245.06461	0.3
249.22258	0.3
253.09267	0.7
263.07547	0.4
265.21597	0.7
275.20193	1.3
277.21695	21.3
278.21948	1.0
287.07706	1.5
293.21216	9.0
294.21439	0.2
305.08755	1.5
310.20999	0.2
311.22247	100.0
312.22595	4.3
312.26056	0.3
323.09778	0.5
379.12207	0.3
397.13477	40.5
398.13745	1.5
415.14536	12.7
416.14746	0.5
675.35913	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	985.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.5
69.11815	0.2
71.01382	3.7
71.52507	0.2
71.55609	0.2
72.99303	0.4
73.02940	0.6
81.03476	0.5
82.84303	0.2
83.01381	0.5
83.05025	0.4
85.02951	1.0
86.85314	0.2
87.00878	1.0
89.02442	3.5
89.98471	0.2
93.03487	0.2
95.01387	0.2
95.05022	0.4
97.02947	0.7
97.06599	0.3
99.00889	0.2
101.02454	3.4
106.79743	0.2
109.06612	0.6
111.04462	0.3
111.08148	1.2
113.02464	1.5
113.06061	0.3
119.03490	0.8
119.04861	0.2
123.00863	0.2
123.08168	0.4
125.02456	1.0
125.09733	1.2
127.11308	1.0
131.03529	0.2
135.08160	0.2
137.06114	0.2
137.09718	0.3
139.07658	0.3
139.11339	0.3
141.09201	0.4
143.03494	0.6
151.03955	0.2
151.07655	0.6
151.11278	0.7
153.09206	0.7
153.12845	2.5
155.10788	1.1
161.04527	0.7
163.11267	0.3
165.09276	0.3
165.12819	0.5
167.10773	1.1
169.12408	0.4
171.10262	0.5
177.09203	0.2
179.05627	0.7
179.10803	0.5
179.14421	1.5
181.12358	2.0
183.13908	0.3
185.11911	0.2
193.12343	0.3
193.15994	0.5
197.11852	1.7
199.09749	0.8
199.13382	0.7
200.10490	0.5
201.11308	0.5
205.36855	0.2
207.13954	1.4
209.11992	0.2
209.15517	0.4
211.13307	0.3
213.14958	0.3
215.12868	0.6
226.12091	0.3
227.12892	0.9
228.13661	0.4
235.08278	1.8
237.22212	0.2
247.20667	4.0
253.09406	0.3
263.07544	0.4
263.20099	0.8
265.21753	0.9
273.18564	1.8
277.21732	9.7
278.22079	0.9
281.21106	1.2
287.07755	0.5
289.18115	0.3
290.18488	0.3
291.19669	20.8
292.19980	0.9
305.08725	0.6
307.19101	0.8
308.19373	0.4
309.20697	100.0
310.21024	4.4
310.24512	0.3
323.09805	0.3
325.75388	0.2
345.91885	0.2
362.43771	0.2
379.12445	0.3
397.13492	18.1
398.13766	1.5
399.14011	0.6
415.14575	5.3
416.14801	0.7
540.48248	0.2
628.20654	0.2
675.35956	0.8
749.73468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.7
70.37749	1.2
71.01376	22.4
72.99283	1.7
73.02942	3.6
75.00858	0.5
80.02670	0.7
81.03447	1.4
83.01384	3.1
83.05015	1.5
84.02140	0.5
85.02946	4.4
87.00872	4.6
89.02440	17.8
91.03992	0.4
93.03458	0.8
95.01380	1.7
95.05001	1.1
97.02948	3.4
97.06580	4.6
99.00880	1.1
101.02435	16.2
109.06561	0.6
111.00864	0.5
111.04500	1.0
111.08141	1.1
112.01649	0.4
113.02444	8.3
115.03949	0.6
119.03474	4.9
123.04494	0.9
124.01714	0.4
125.02439	7.6
125.09723	1.1
131.03485	1.0
133.05063	1.1
134.03706	0.4
135.08054	0.4
136.98732	0.4
137.09689	0.6
139.03986	0.7
143.03488	3.1
147.11850	0.5
149.04579	0.5
149.09688	1.0
151.11259	3.9
153.09154	0.5
153.12837	0.4
155.10742	0.8
156.62732	0.4
161.04562	4.7
161.09622	0.4
163.11218	1.1
165.12825	5.0
167.10736	0.6
171.10201	0.7
179.05591	3.5
179.10713	2.3
181.12314	6.6
191.10744	3.7
191.14394	0.7
198.97569	0.4
199.06244	0.5
209.11810	22.6
211.13358	1.1
213.24200	0.4
221.06648	1.5
227.12990	0.5
227.22447	0.4
235.08199	9.9
245.06697	0.5
245.19110	3.9
253.09283	2.8
258.94168	0.4
263.07727	0.7
263.20090	2.2
277.21692	52.1
278.22012	2.6
279.19681	0.6
287.07724	2.9
288.57373	0.4
289.18085	4.5
305.08722	4.0
307.15613	0.8
307.19122	14.9
308.19308	0.7
323.09882	1.5
361.11392	0.4
379.12515	0.7
397.13464	100.0
398.13675	3.7
415.14532	32.6
416.15063	1.2
633.22925	0.4
675.35858	6.3
753.55408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	17.7
72.99306	1.8
73.02946	0.5
76.49234	0.1
83.01385	1.0
84.02178	0.2
84.19453	0.2
85.02448	0.3
85.02949	3.8
87.00887	0.7
89.02439	18.5
95.01388	1.5
99.00864	0.2
101.02438	11.6
102.02782	0.2
106.03354	0.1
113.02445	6.9
119.03491	6.5
126.33640	0.1
131.03481	0.6
143.03448	0.7
149.04497	0.3
161.04536	0.6
179.05605	1.4
191.05580	0.2
324.32217	0.1
327.21924	0.2
402.55432	0.1
647.37921	100.0
648.38281	8.2
852.76263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56536	0.3
78.95898	27.0
81.90291	0.2
96.96954	2.2
150.97981	0.5
152.13947	0.2
152.99577	37.9
153.99908	0.3
171.00630	9.9
193.39160	0.2
209.11800	0.4
227.03247	2.3
245.04288	45.0
246.04659	0.7
253.21706	19.9
254.22084	0.9
255.02911	0.5
283.02374	0.5
285.04120	0.6
406.31674	0.2
455.91043	0.2
471.36783	0.2
481.25668	100.0
482.26038	5.7
595.54688	0.2
1011.09540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.443
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	4.1
71.56493	0.4
72.99334	0.4
73.02946	1.3
78.95889	0.4
83.01413	0.6
85.02956	1.3
87.00871	0.9
89.02428	3.0
93.03462	1.9
95.01394	0.5
96.96007	1.1
99.87159	0.4
101.02452	4.0
102.40590	0.4
113.02427	2.4
117.03473	1.3
119.05022	92.2
120.05367	1.7
134.03751	0.4
143.03513	0.5
145.02945	8.6
161.04517	1.5
163.03999	100.0
164.04332	2.9
165.12834	7.2
165.62595	0.3
172.91917	0.4
173.04529	1.5
179.05673	0.5
183.13885	69.8
184.14221	1.3
191.05592	3.5
209.11847	0.9
227.12862	6.3
239.06845	0.4
249.07370	0.4
253.09232	4.6
275.09189	0.5
285.03940	0.6
325.09256	23.8
326.09561	1.0
349.16586	6.7
350.16983	0.6
449.14627	0.4
463.21826	91.8
464.16089	0.7
464.22119	5.4
511.21817	25.5
512.21881	1.3
680.14148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.2
69.03467	1.2
70.40451	0.5
70.57166	0.1
71.01384	16.1
72.99310	1.4
73.02951	2.1
75.00867	0.5
81.03461	0.8
83.01395	1.8
83.05025	0.2
85.02956	3.6
87.00884	3.3
89.02446	14.3
91.03992	0.3
93.03436	0.3
95.01392	1.1
95.05022	0.3
97.02962	3.2
99.00887	1.2
99.04504	0.4
101.02448	13.3
103.03973	0.2
109.02938	0.3
111.04531	0.5
111.08121	0.4
112.01661	0.2
113.02451	6.1
113.09713	0.3
114.33958	0.2
114.90077	0.1
115.03982	0.4
119.03512	3.5
121.02937	0.4
123.00800	0.2
124.01657	0.3
125.02446	5.8
127.03977	0.2
129.02008	0.2
131.03499	0.9
131.58411	0.1
133.05077	0.7
137.32544	0.2
139.03999	0.4
141.01935	0.5
143.03494	2.2
147.78848	0.2
149.02464	0.2
149.04539	0.3
161.04556	2.9
167.03445	0.3
167.10770	0.6
177.12788	0.2
179.05612	2.5
179.10774	0.3
179.14346	0.8
181.12344	0.2
185.04494	0.3
195.13899	8.2
196.14503	0.5
199.06091	0.3
205.12370	0.8
205.15985	0.4
211.13396	0.6
217.07143	0.4
221.06679	1.1
223.13388	6.2
223.15640	0.3
224.13803	0.3
228.13644	1.0
231.21126	0.3
235.08226	7.0
239.12935	0.4
245.06647	0.5
253.09225	1.0
256.13217	1.4
261.22144	0.3
263.07706	0.7
265.21747	0.5
275.20148	4.1
275.23166	0.2
276.20343	0.2
277.09201	0.4
279.23282	46.3
280.23691	2.1
287.07782	2.3
293.21228	100.0
294.18256	0.2
294.21567	3.8
305.05331	0.2
305.08777	3.1
323.09872	0.6
379.12268	0.3
397.13501	72.3
398.13837	2.4
415.14566	23.2
416.15042	0.9
556.56604	0.2
677.37537	5.5
678.37640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.355
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01610	1.0
69.03426	1.0
70.14429	3.1
70.14770	1.9
71.01383	68.8
72.99301	6.6
73.02936	2.2
83.01394	3.7
85.02949	17.3
87.00871	7.4
89.02442	86.9
93.03455	9.1
95.01375	7.0
96.96014	4.0
97.02963	2.1
99.00894	1.8
101.02443	39.3
107.67776	0.9
108.02171	2.6
109.02928	5.0
111.04493	2.0
113.02448	28.9
117.03475	3.7
119.03500	42.7
119.04908	1.8
121.02969	9.7
122.03735	16.7
123.04526	1.8
124.01615	1.5
125.02462	1.2
131.03516	6.1
133.02934	5.7
134.03732	7.8
135.04521	4.5
136.01659	35.9
137.02446	11.8
143.03493	10.3
145.02960	14.8
146.03764	9.3
147.04491	1.8
149.02438	32.2
149.04546	3.9
149.06104	1.7
150.03221	100.0
151.00397	7.1
151.04004	77.3
152.01082	1.7
152.04666	1.2
153.01930	4.2
155.03490	1.5
160.05264	1.3
161.02458	11.7
161.04546	10.3
161.06084	6.9
162.03218	84.9
162.47179	1.0
163.03807	3.8
164.04764	6.1
165.05560	79.0
166.02707	20.8
166.05882	1.6
167.03442	2.1
173.04611	6.6
173.05836	1.2
175.04028	2.7
176.01138	2.1
176.04782	1.2
177.01932	4.1
177.05566	46.7
177.07135	2.4
178.02705	2.3
179.03854	1.8
179.05614	34.7
179.07018	2.1
180.04312	7.1
181.05054	22.9
187.03973	2.0
190.02632	1.1
191.03822	1.8
191.05621	6.4
192.04247	4.3
193.05006	2.1
195.04823	2.0
195.06622	40.1
205.04979	6.0
207.06616	4.2
209.11787	1.2
219.06587	2.9
220.07420	3.9
275.09201	9.1
285.04068	1.2
302.57236	1.1
329.10461	1.7
357.12091	5.8
387.10303	1.8
387.14459	3.5
402.12851	2.2
417.15570	11.3
449.14560	7.5
535.17975	5.0
550.18317	1.4
563.19196	3.9
564.19135	1.8
565.20728	19.9
566.21002	1.8
577.20673	9.1
583.20752	6.3
595.22247	1.8
613.22821	9.5
667.23694	1.5
713.25049	1.3
725.25922	29.2
726.26459	3.1
773.28174	22.2
773.41144	2.1
774.27582	1.9
775.28143	2.4
923.33313	9.8
953.34180	1.9
971.35577	13.9
972.34967	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	969.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.3
71.01381	22.3
72.99293	1.7
73.02939	4.5
75.00897	1.0
83.01379	2.5
85.02926	4.3
87.00857	4.1
89.02440	19.8
92.01064	0.8
95.01377	2.2
97.02962	3.7
99.00913	1.4
101.02431	17.5
111.04483	1.1
113.02448	9.7
119.03506	5.3
125.02468	7.2
135.11777	1.8
136.08949	1.1
143.03464	3.0
153.32744	0.9
157.08690	4.6
161.04597	4.2
179.05638	4.0
192.11589	2.0
193.16122	1.0
220.14661	2.9
221.06534	1.4
221.15413	6.4
235.08238	8.9
236.10568	6.0
249.18561	16.6
253.09175	2.6
275.17648	0.5
275.20105	23.2
277.21692	52.6
278.22153	2.3
287.07684	4.0
293.17615	10.9
293.21146	69.9
294.21497	2.9
305.08698	3.4
316.76138	0.9
397.13470	100.0
398.13748	4.8
415.14539	35.1
568.92017	1.0
675.35950	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	967.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.2
78.42300	0.2
78.95899	9.4
84.40629	0.2
88.07980	0.2
89.02412	0.2
96.96043	0.4
96.96954	0.9
110.98438	0.2
116.32491	0.2
150.97978	0.2
152.99577	15.7
153.99937	0.3
157.34105	0.1
164.48796	0.1
171.00641	1.2
227.03221	2.4
237.22229	0.3
243.33206	0.2
245.04243	1.6
253.21692	0.2
255.23274	100.0
256.23630	4.4
257.23834	0.2
279.23328	0.9
293.21231	2.3
308.41647	0.2
397.13434	0.4
408.99719	0.6
447.24982	0.5
456.61200	0.2
481.25693	1.0
482.25974	0.7
483.27249	80.1
484.27618	5.3
485.28156	0.4
897.74957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.5
69.03445	1.4
71.01379	20.6
71.32877	0.6
72.99303	2.1
73.02937	3.8
75.00852	0.7
81.03448	1.1
83.01386	2.9
83.25994	0.3
85.02946	6.3
87.00884	5.1
88.75504	0.4
89.02443	21.0
95.01385	1.8
97.02943	3.6
99.00871	1.5
101.02439	19.6
109.02933	0.4
111.00864	0.5
111.04489	0.5
113.02444	9.0
115.04035	0.4
119.03489	5.4
121.02863	0.7
125.01542	0.6
125.02442	8.4
131.03522	0.9
133.05080	0.6
139.03999	0.7
143.02400	0.5
143.03479	3.5
149.04515	0.5
150.10477	0.8
151.62483	0.3
161.04564	4.8
165.12848	10.0
167.03600	0.4
169.04977	0.4
179.05617	3.9
185.04439	0.5
199.05969	0.6
217.07074	0.7
219.05182	0.4
221.06616	1.0
235.08192	9.9
245.06596	0.7
247.20653	4.8
248.21140	0.4
253.09271	2.5
259.20621	0.4
263.07687	0.6
273.18500	2.9
275.19968	0.5
277.21707	55.5
278.22061	2.6
287.07745	3.4
291.19656	30.9
292.20041	1.5
305.08786	4.3
323.09756	1.6
379.12451	0.5
397.13486	100.0
398.13858	3.3
415.14545	33.0
416.15036	1.5
675.35944	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	959.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97742	0.2
70.56459	0.3
70.56796	0.3
78.95905	6.8
91.12489	0.2
98.19984	0.2
104.97476	0.2
110.98534	4.6
115.68153	0.2
118.47754	0.2
150.10675	0.2
152.99660	0.2
167.01152	2.2
185.02196	5.1
198.07593	0.2
218.50035	0.2
227.97014	0.2
233.22726	0.6
259.20685	0.5
275.20230	0.5
277.21716	100.0
278.22064	4.2
387.55496	0.2
397.13757	0.3
445.23602	52.8
446.23883	2.8
578.78644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.2
68.99820	0.3
69.35689	0.7
69.36113	0.4
71.01385	4.4
72.99309	0.9
73.02946	0.6
75.00869	2.6
75.99564	0.1
83.01373	0.4
85.02953	11.8
87.00871	1.5
89.02443	1.0
93.03468	0.4
95.01391	3.1
96.96025	0.2
98.19841	0.3
99.00883	4.1
101.02435	0.2
103.00382	1.5
105.03439	0.2
107.01389	1.5
111.00886	0.3
113.02451	22.4
114.02843	0.1
115.00352	0.7
117.01953	1.2
117.03465	3.6
119.05005	0.3
121.02950	0.2
129.01944	0.9
135.04532	0.5
137.02406	0.2
137.92032	0.1
139.00360	0.2
144.77031	0.1
145.17079	0.1
149.02473	1.4
151.00366	1.2
157.01395	0.4
159.04524	1.4
161.01311	0.1
161.02411	0.7
167.69075	0.1
169.06549	0.5
173.04637	0.2
173.92387	0.1
175.02475	12.4
176.02756	0.2
180.05971	0.2
181.06590	0.5
183.04561	0.9
191.05627	0.4
196.05269	0.4
197.06061	0.7
201.05646	0.7
203.79890	0.1
208.00096	0.2
209.11626	0.2
221.25746	0.1
224.04736	0.3
225.05574	1.3
227.03465	0.5
241.04996	0.2
268.03879	0.3
269.04541	100.0
270.04871	3.6
283.06314	0.2
311.05661	0.2
352.98160	0.1
427.06430	0.2
445.07748	29.3
446.08130	1.9
471.28427	0.2
521.26367	0.4
563.65997	0.2
579.25452	0.1
898.48822	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41320	1.1
69.41747	1.3
72.99283	0.5
79.01864	0.4
81.03474	0.3
83.01381	0.6
93.03442	0.6
96.95978	0.5
97.02934	0.7
98.19913	0.6
105.03462	0.5
107.01400	0.5
109.02961	2.2
119.04985	0.5
121.02924	1.4
123.00874	0.4
125.02428	1.3
127.00391	0.4
132.02158	0.6
133.02943	11.5
135.04530	1.5
145.02939	0.4
147.04509	0.8
148.01654	0.3
149.02461	1.4
151.00322	0.3
151.04007	0.3
161.02394	1.2
163.00305	1.8
163.04027	2.6
165.01881	1.8
169.79259	0.4
173.02390	0.7
175.03958	2.4
177.01920	0.8
179.03499	0.5
185.05916	0.3
187.61581	0.3
189.01855	0.4
189.06400	0.3
191.03485	1.8
191.05400	0.5
193.01384	1.4
198.03329	0.4
199.03981	1.0
199.07672	0.3
201.01923	1.4
211.04016	0.7
212.04747	0.5
213.05495	0.8
215.03423	0.4
217.05038	0.4
225.05597	1.2
227.03505	0.7
227.07173	0.5
239.03548	0.4
240.04318	0.8
241.04988	0.9
243.02953	0.3
253.05090	1.2
254.05676	0.4
255.03024	0.5
255.06682	0.7
256.03540	0.4
257.04440	0.3
269.04532	1.2
271.06143	0.6
281.04755	0.4
284.03226	8.4
285.04028	7.1
286.04330	0.5
294.20731	0.7
297.04007	15.8
298.04791	9.0
298.07410	0.2
299.05557	16.6
300.05887	0.8
309.04138	0.9
311.05566	2.3
324.02676	0.4
325.03448	0.9
327.05060	100.0
328.05460	4.5
329.05295	0.4
337.03336	0.4
339.05090	3.6
341.06622	0.4
357.06119	26.4
358.06491	1.2
365.06769	0.4
369.06168	2.6
393.06168	1.1
411.06836	0.5
447.09286	99.2
448.09586	6.3
504.28152	4.4
607.76654	0.3
759.01904	0.3
880.94464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.7
69.26548	2.3
71.01385	12.8
72.99300	0.9
73.02953	1.8
74.65703	0.2
75.00880	0.4
77.75066	0.2
78.95906	0.4
79.77405	0.2
81.03445	0.5
83.01382	1.8
85.02949	3.2
87.00887	3.0
89.02448	12.9
95.01379	1.0
96.96007	0.4
97.02951	1.9
97.77703	0.2
99.00895	0.8
101.02445	11.1
109.02959	0.4
111.04519	0.3
113.02451	5.3
113.09739	1.1
115.03960	0.3
119.03512	3.1
121.03006	0.2
123.40022	0.2
124.01659	0.3
125.02451	4.9
131.03484	0.3
133.05099	0.4
139.03989	0.6
143.03497	1.8
149.04553	0.5
161.04575	2.6
167.03580	0.3
169.04984	0.3
177.12849	0.7
179.05618	2.1
179.14418	0.9
181.12346	0.4
185.04582	0.5
195.13907	13.7
196.14180	0.4
217.07115	0.3
221.06627	1.0
235.08218	5.1
236.08530	0.2
245.06729	0.3
253.09337	1.1
255.23297	31.5
256.23645	1.3
263.07639	0.5
277.09149	0.3
277.21716	12.7
278.22043	0.6
287.07788	2.0
293.98404	0.3
295.22781	100.0
296.23160	5.1
305.08832	2.4
306.09235	0.3
323.09793	0.8
379.12531	0.4
397.13504	63.7
398.13849	2.6
415.14572	18.3
416.14896	0.8
445.23795	0.3
481.25769	0.9
653.37518	8.3
654.38019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.5
68.99802	0.4
69.03429	0.8
70.40865	0.6
70.41224	0.6
71.01384	23.4
72.99303	1.5
73.02949	16.7
75.00869	3.1
81.03458	0.6
83.01395	2.6
84.02161	0.3
85.02953	14.9
87.00892	2.1
87.90443	0.2
89.02449	16.4
90.97170	0.3
93.03455	0.8
95.01403	4.5
96.01800	0.3
96.96027	0.6
97.02946	0.6
99.00884	50.6
100.01218	0.5
101.02445	9.4
103.00391	1.6
107.01366	1.7
111.00891	0.8
113.02454	28.0
115.00366	1.0
117.01955	1.1
117.03468	4.1
119.03512	1.7
121.02908	0.3
125.02447	2.1
129.01956	1.0
129.40308	0.3
131.03506	5.6
142.53444	0.3
143.03505	1.7
149.02475	1.8
149.04556	17.5
151.00346	1.5
155.03506	1.4
155.04796	0.3
157.01459	0.4
159.04535	1.4
161.02405	0.8
161.04552	3.7
161.55302	0.3
169.06544	0.5
173.04535	0.7
175.02472	10.2
181.06558	0.4
183.04486	0.8
191.05615	17.1
192.06029	0.5
197.06078	0.6
201.05609	0.6
203.05612	8.5
221.06732	0.7
224.04907	0.4
225.05643	2.3
227.03506	0.7
228.91890	0.3
233.06645	5.2
251.07652	0.3
269.04550	100.0
270.04868	4.3
275.07663	0.4
335.09753	1.9
353.10815	0.8
397.15192	0.5
415.16263	2.5
445.07727	26.6
446.08130	1.8
457.17151	81.8
458.17523	5.7
500.15927	0.6
501.15991	0.6
691.74036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.4
67.39595	0.2
68.99800	0.3
69.47674	1.3
71.01377	4.7
72.99309	1.1
72.99632	0.2
73.02923	0.6
73.94910	0.2
75.00873	2.4
76.64095	0.2
83.01392	0.2
84.02174	0.3
85.02948	11.6
85.15774	0.2
87.00870	1.8
89.02436	0.8
93.03449	0.8
95.01386	3.4
99.00875	4.2
103.00375	1.7
107.01392	1.3
111.00835	0.4
113.02446	21.7
115.00388	0.7
117.01980	1.4
117.03448	3.2
121.02984	0.2
129.01949	0.8
134.03746	0.2
135.04543	0.4
149.02425	1.4
151.00351	1.4
157.01385	0.4
157.06509	0.2
159.04495	1.0
159.05637	0.2
161.02388	0.6
163.65872	0.2
169.06589	0.6
173.04526	1.8
175.02464	12.4
176.02760	0.3
181.06503	0.4
183.04485	0.8
191.05611	0.5
197.06102	0.7
201.05641	0.6
225.05577	1.5
227.03436	0.3
241.05055	0.2
268.03888	0.4
269.04529	100.0
270.04822	3.8
283.06396	0.2
311.05582	0.3
429.21872	0.3
437.18268	0.2
438.18890	0.3
445.07724	38.8
446.07965	2.2
452.78598	0.2
467.05887	0.2
467.15536	0.3
482.24435	0.2
510.93503	0.2
669.04004	0.2
847.70581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99801	0.2
71.01378	2.0
71.12679	0.2
71.13012	0.3
72.99284	0.4
73.02912	0.2
75.00865	0.7
78.98592	0.2
80.36734	0.2
83.01391	0.5
85.02943	3.0
87.00887	0.7
89.02437	0.3
95.01379	0.8
99.00870	1.0
103.00368	0.4
105.03455	0.3
107.01380	1.3
109.02942	0.6
113.02443	2.0
115.00338	0.4
117.01928	0.2
121.02906	0.4
129.01862	0.2
132.02219	0.1
133.02946	3.9
134.03223	0.2
135.04529	0.2
149.02431	1.3
149.65834	0.1
151.00368	2.7
171.04497	0.3
173.02275	0.1
175.02490	0.4
175.03978	1.8
177.01956	0.3
185.06049	0.3
191.05600	0.3
197.06073	0.3
198.03175	0.3
198.10350	0.2
199.04005	2.4
201.01895	0.6
213.05505	0.5
215.03558	0.3
217.05069	1.1
223.03978	0.3
225.11397	0.3
229.05080	0.3
234.66534	0.2
239.03488	0.2
241.05077	0.7
242.01984	0.2
243.02942	0.7
243.12395	0.2
253.81285	0.2
255.03149	0.1
257.04510	0.4
267.02896	0.3
283.92554	0.1
284.03159	0.5
285.04019	100.0
286.01108	0.3
286.04352	4.9
287.04443	0.3
297.03949	0.4
301.03598	0.2
327.04938	1.4
357.06213	0.9
369.05670	0.2
381.06067	0.2
413.33490	0.2
458.30978	0.2
461.07211	60.6
462.07571	3.7
463.07788	0.2
479.21271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
75.87263	0.4
78.95896	4.8
82.20040	0.4
84.30328	0.4
110.98543	3.1
116.92814	0.7
122.94224	0.4
160.81279	0.4
167.01106	1.4
185.02199	3.9
209.71066	0.4
279.23264	100.0
280.23627	4.8
389.12991	0.5
447.25140	52.0
448.25586	3.4
522.52722	0.5
939.44763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.4
71.56241	0.5
73.02943	1.5
81.03461	0.6
83.01400	0.6
83.05034	0.9
85.02958	0.8
87.00874	0.5
89.02424	0.4
93.03453	1.3
96.95987	1.2
97.06626	0.4
100.22525	0.3
101.02418	2.1
113.02469	0.9
133.02966	0.8
134.03755	0.9
135.04498	0.6
153.05524	0.4
161.04530	0.6
173.04512	1.2
177.01939	0.5
191.05597	1.5
225.15912	0.5
268.91486	0.4
269.04556	0.6
275.09201	1.7
285.03943	0.8
449.14722	0.5
647.31610	0.4
903.66492	2.5
939.64185	100.0
940.64490	14.4
940.83606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.2
69.40958	1.3
71.01402	0.7
73.02944	0.2
85.02927	0.2
89.02443	0.5
96.96057	0.4
97.02959	0.2
98.19849	0.3
101.02431	0.3
111.08157	1.5
113.02471	0.3
114.96031	0.1
119.03501	0.2
121.64002	0.2
125.02495	0.3
134.63315	0.2
165.12846	22.5
166.13182	0.5
169.12321	0.2
181.12392	0.3
183.13898	91.8
184.14243	2.9
191.05531	0.2
194.64740	0.2
197.11864	1.6
209.11830	2.2
217.01154	0.2
227.12881	100.0
228.13216	3.4
263.07510	0.2
267.37396	0.2
291.19690	0.5
309.20749	4.5
310.21167	0.3
327.21799	0.6
384.42020	0.2
397.13504	1.5
415.14584	1.9
418.66907	0.2
707.34790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.5
71.01375	12.6
71.56143	0.5
72.99296	0.6
73.02943	14.4
81.03462	0.8
83.01386	5.6
83.05014	1.6
85.02950	1.9
87.00884	0.6
89.02440	2.0
93.03455	3.6
95.01373	0.8
96.96024	0.8
97.02958	0.4
97.06578	5.6
101.02437	14.5
102.02763	0.4
102.20274	0.4
105.03483	0.4
109.02911	0.5
109.14508	0.3
111.04520	3.7
113.02454	5.2
119.03459	1.8
120.76646	0.4
125.02422	0.6
127.04012	0.6
129.01988	0.5
131.03493	1.7
133.02927	4.5
134.03734	96.4
135.03076	0.5
135.04562	9.2
137.02449	2.7
139.04002	0.9
143.03535	2.0
148.01669	0.4
149.04562	3.0
155.03499	4.9
161.04533	4.5
173.04515	8.4
177.01926	7.7
178.02699	25.1
179.03488	2.3
183.85156	0.4
189.12839	3.6
191.05597	3.1
203.05544	0.5
221.06641	1.3
231.10213	3.2
269.04535	0.5
275.09222	7.8
307.11838	100.0
308.12103	4.3
319.63559	0.4
338.35211	0.4
395.18997	0.6
437.20331	0.6
449.14474	0.7
481.17105	46.3
482.17374	3.1
966.11169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70345	0.5
78.95902	7.8
96.04859	0.2
96.95961	0.3
96.96950	0.7
121.81375	0.2
123.86687	0.2
124.15399	0.2
133.79327	0.2
152.99574	15.2
171.00610	1.3
173.04367	0.2
227.03290	2.7
245.04283	1.8
255.23267	100.0
256.23633	4.2
279.23190	0.6
314.04813	0.2
438.09256	0.3
447.25616	0.3
481.25705	0.6
482.26114	0.7
483.27243	84.7
484.27533	5.6
600.47998	0.3
687.46344	0.2
776.75214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.5
67.01858	0.1
69.93478	0.2
69.93826	0.7
71.01376	2.4
72.99306	0.3
73.02937	0.4
75.00859	0.6
80.91705	0.1
80.96536	0.1
83.01379	0.4
85.02954	2.2
87.00870	0.8
89.02431	0.4
90.58860	0.1
92.08945	0.1
95.01382	0.5
98.19967	0.2
99.00889	1.2
100.63360	0.1
101.02448	0.2
103.00381	0.4
105.03430	0.3
107.01367	1.2
109.02963	0.5
113.02438	1.9
115.00362	0.4
116.48553	0.2
117.01948	0.4
121.02930	0.3
129.01892	0.2
133.02943	4.3
140.87500	0.1
149.02420	1.3
151.00359	3.0
152.08420	0.2
153.09193	0.7
171.04469	0.4
175.02512	0.4
175.03989	1.9
177.01904	0.2
185.06070	0.5
191.05522	0.4
197.06030	0.4
198.03162	0.2
199.03984	1.7
201.01912	0.4
205.12292	0.4
211.03940	0.3
213.05539	0.4
215.03558	0.3
217.05008	1.2
223.03976	0.2
223.13403	0.2
224.05009	0.2
229.05013	0.3
233.92972	0.1
239.03436	0.2
240.04155	0.2
241.04974	0.6
242.02283	0.2
243.02916	0.6
257.04523	0.4
267.02972	0.3
268.03735	0.2
283.02475	0.2
284.03168	0.6
285.04019	100.0
286.04373	4.7
286.07336	0.3
297.03937	0.4
299.05627	0.3
327.04953	1.1
339.05136	0.2
357.06116	0.9
369.06363	0.2
381.06244	0.3
382.87390	0.2
427.19751	0.6
461.07214	57.9
462.07574	4.7
471.16144	0.5
842.13617	0.2
893.73279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37945	0.3
70.88809	0.6
78.95899	22.5
87.07795	0.3
96.95979	0.8
96.96950	1.9
132.30411	0.3
140.09602	0.3
150.97984	0.5
152.99574	36.6
153.99930	0.4
171.00621	5.3
227.03253	2.6
245.04282	22.5
246.04736	0.4
253.21703	10.3
254.22054	0.6
255.23238	1.0
256.23608	0.4
279.23239	1.0
288.15091	0.3
447.24985	0.4
481.25690	100.0
482.25977	5.9
483.27042	0.7
484.27621	0.4
517.14276	0.3
531.87994	0.3
950.60260	0.3
957.37238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.8
71.56211	0.6
71.68999	0.6
76.95702	0.4
78.95898	0.9
79.09969	0.4
93.03479	0.5
109.02936	1.3
121.02969	0.6
125.09699	1.6
133.02927	5.5
134.03510	0.5
135.04486	0.8
137.02464	1.0
147.04494	1.1
149.02452	1.1
151.03963	0.6
161.02432	0.8
163.00362	1.2
163.03957	1.6
165.01953	0.9
173.04543	1.6
175.04005	1.6
187.07654	0.7
191.03540	1.4
191.05589	4.2
192.06015	0.7
193.01404	1.3
197.05986	0.5
199.04001	0.8
201.01830	1.0
201.11285	0.8
213.05618	0.7
225.05618	0.6
240.04308	0.7
255.02957	0.7
269.04514	1.1
275.09293	1.5
284.03198	5.6
285.04031	5.4
286.04257	0.5
297.04004	10.3
298.04797	5.6
299.02115	0.7
299.05560	12.4
300.05948	0.7
309.04010	0.7
311.05588	2.0
327.05060	72.7
328.05463	7.0
339.05054	2.4
357.06107	19.7
358.06537	2.1
369.06128	2.2
393.06070	0.7
426.18909	1.7
442.30096	0.5
445.07108	0.5
447.09280	100.0
448.03790	0.8
448.09610	10.0
448.15475	0.3
449.09903	1.7
449.15433	0.6
481.16913	0.7
482.17728	0.7
482.26703	0.8
483.06741	1.6
483.14911	0.7
908.22186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.4
67.01884	0.3
71.01375	2.4
71.55994	0.4
72.99323	0.4
73.02926	0.2
75.00867	0.8
83.01384	0.5
85.02939	2.4
87.00872	1.2
89.02472	0.3
93.03442	1.8
95.01375	0.6
96.96021	0.4
99.00889	1.1
101.32580	0.2
105.03434	0.3
107.01410	1.1
109.02938	0.9
111.04515	0.4
111.31792	0.2
113.02454	2.4
115.00378	0.4
121.02933	0.6
133.02953	4.4
134.03763	1.4
135.04482	0.7
136.01633	0.9
137.02480	0.4
146.01706	0.2
149.02422	1.2
151.00371	3.7
151.03958	0.4
155.03589	0.3
160.72321	0.2
161.06134	0.2
171.04492	0.3
173.04553	2.6
175.02515	0.4
175.03949	1.9
181.46408	0.2
185.06078	0.3
187.07631	0.7
191.05588	3.7
192.05843	0.3
198.03233	0.3
199.03949	1.7
201.01947	0.7
213.05522	0.3
215.03491	0.4
217.05005	1.0
229.05014	0.3
231.10208	0.9
239.03520	0.3
241.05055	0.9
243.02989	0.6
248.13422	0.2
257.04727	0.3
257.08115	0.6
267.02869	0.4
275.09299	1.2
284.03241	0.3
285.04019	100.0
286.04367	5.6
286.06891	0.1
287.04584	0.5
293.10318	1.9
297.04141	0.5
311.05692	0.2
320.00882	0.2
327.05020	1.4
339.05432	0.2
355.04343	0.2
357.06116	1.1
369.06039	0.4
381.06079	0.5
449.14471	1.8
461.07214	61.5
462.07596	4.7
463.07581	0.4
465.07928	0.3
467.15594	2.3
479.21820	0.3
693.87292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.4
71.55531	0.3
79.63763	0.2
83.01397	0.4
85.02928	0.4
85.34792	0.2
89.02435	0.4
93.03446	0.4
96.95985	0.7
101.02395	0.3
107.01360	0.8
109.02964	0.4
113.02432	0.6
121.02962	0.4
121.31089	0.2
123.08165	0.3
125.14101	0.2
133.02954	2.2
134.03757	0.5
135.04543	0.3
149.02393	0.8
151.00389	2.1
153.09212	0.4
173.04526	1.0
175.03970	1.0
178.02667	0.2
182.40718	0.2
189.12904	0.2
191.05498	1.2
197.11717	0.3
199.03964	0.9
200.65195	0.3
201.01965	0.3
207.13866	0.4
211.03889	0.5
213.05556	0.3
217.05037	0.6
227.03481	0.5
239.03502	0.3
239.11368	0.2
240.04198	0.3
241.05000	0.4
241.75053	0.2
243.02953	0.3
255.02939	0.6
256.03714	1.5
257.04498	0.4
269.04675	0.3
275.09094	0.3
283.02573	0.5
284.03256	31.2
285.04031	74.8
286.04358	3.5
297.04120	1.1
298.04819	0.3
299.05542	1.0
311.05804	0.3
327.05096	5.1
328.05603	0.4
357.06299	1.4
429.21127	0.7
447.09308	100.0
448.09637	6.9
461.07251	0.5
477.19684	0.5
575.64673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	16.5
72.99305	1.0
73.02950	7.7
80.14982	0.6
81.03471	3.3
83.01372	2.0
83.05024	8.6
85.02939	6.7
87.00879	2.0
89.02448	9.3
93.03439	0.7
95.01381	1.8
97.02945	0.7
97.76589	0.5
99.00881	1.1
100.06173	0.5
101.02435	10.4
103.32302	0.5
110.57916	0.5
113.02457	7.6
119.03494	2.7
125.02444	0.7
125.07189	1.2
130.93944	0.5
131.03535	0.8
133.02879	0.7
143.03482	1.1
161.04489	2.9
173.04536	0.9
173.09724	0.7
173.16507	0.5
174.10834	0.4
179.05635	0.8
189.12845	6.2
191.05577	2.6
207.13762	0.6
224.17674	1.6
225.16109	7.7
228.52664	0.6
242.18819	0.7
285.04031	9.1
286.04373	3.0
287.04547	1.7
333.22855	1.9
367.27402	0.9
369.19171	8.6
382.68842	0.5
387.20242	11.9
388.21017	0.7
429.21274	29.0
430.21701	1.4
433.31882	4.8
451.32886	100.0
452.33276	6.9
461.07327	4.9
462.07620	2.7
463.07672	2.2
473.16589	0.7
823.11493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.5
69.91308	1.3
71.01369	1.6
73.02933	0.8
77.03976	0.6
80.96512	2.2
83.01381	0.6
85.02913	1.1
93.03421	0.7
94.98062	0.5
97.02925	0.7
101.02415	1.2
105.03426	0.4
107.01381	0.7
109.02932	2.0
113.02418	0.9
119.05006	0.7
121.02934	1.2
125.02419	1.3
133.02937	9.6
135.04501	1.2
136.01532	0.3
137.02452	0.5
142.23726	0.3
147.04486	1.0
148.01596	0.4
149.02437	1.0
151.00311	0.9
151.04025	0.6
153.09196	1.2
161.02441	0.8
163.00334	1.2
163.03996	3.2
164.98582	0.6
165.01878	1.4
171.04466	0.4
173.02388	0.4
173.04488	0.8
175.00343	0.3
175.03960	2.1
177.01927	0.9
179.03476	0.5
191.03661	1.6
191.05566	1.4
193.01408	1.5
199.03960	1.0
201.01889	1.2
202.36485	0.3
203.03552	0.6
205.12299	0.8
211.04044	0.8
212.04750	0.5
213.05537	1.0
215.03534	0.6
223.13466	0.7
225.00760	0.9
225.05455	0.5
227.06799	0.3
231.06590	0.4
237.05557	0.4
239.03598	0.3
240.04202	0.5
241.04944	0.7
243.02927	0.4
251.36522	0.4
253.05063	1.1
255.02975	0.7
255.06601	0.7
256.03799	0.4
257.04584	0.4
259.06183	0.3
267.06461	0.4
269.04459	0.9
271.06079	0.5
281.04370	0.6
284.00333	0.6
284.03247	8.6
285.04019	6.9
297.04007	14.7
298.04785	8.2
299.05573	17.6
300.05835	1.3
309.03983	0.8
311.05536	2.7
324.02823	0.6
325.03473	1.1
327.05060	93.6
328.05420	5.3
339.05054	2.6
341.06586	0.7
350.03391	0.3
357.06125	23.9
358.06479	1.3
367.17557	3.5
369.06116	2.5
385.18900	0.5
393.06085	1.2
427.19693	3.6
447.09277	100.0
448.09589	8.0
471.15396	6.8
472.15356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41296	0.6
66.91679	0.6
71.56740	0.6
78.95902	23.9
110.98531	45.9
143.89873	0.6
152.99568	4.0
185.02194	100.0
186.02498	1.4
234.23207	0.6
253.21712	29.4
254.21977	1.5
358.94846	0.6
421.23587	40.5
422.24030	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	913.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66942	0.3
71.55600	0.6
78.95907	25.0
88.02286	0.3
110.98539	42.4
130.56158	0.3
139.77397	0.3
152.99588	4.9
153.90262	0.4
167.01134	1.9
169.31274	0.2
185.02205	100.0
186.02592	1.1
214.25533	0.3
253.21732	29.9
254.22043	1.2
272.64984	0.3
376.29462	0.4
421.23633	45.9
422.23895	3.2
494.46597	0.3
519.82684	0.3
671.77728	0.3
767.23047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.5
68.99801	0.3
71.01376	4.5
72.99301	1.1
73.02950	0.4
75.00874	2.1
83.01359	0.4
84.02155	0.3
85.02946	12.1
86.03275	0.2
87.00867	1.9
89.02426	0.8
93.03453	0.7
95.01376	3.8
96.95987	0.4
98.19852	0.5
99.00873	4.2
101.02449	0.4
103.00368	1.6
105.03436	0.3
107.01405	1.5
111.00859	0.2
113.02445	21.3
114.02782	0.4
115.00363	0.8
117.01926	1.3
117.03458	3.3
129.01941	1.0
135.04507	0.3
149.02409	1.2
151.00360	1.1
155.04941	0.2
157.01402	0.4
157.06580	0.2
159.04475	1.2
161.02443	0.8
162.02725	0.2
173.04457	0.3
175.02464	12.0
179.10780	2.6
180.05904	0.3
181.06595	0.5
183.04491	0.8
191.05585	0.9
196.05225	0.3
197.06000	0.6
199.03972	0.2
201.05522	0.7
205.12300	1.1
224.04794	0.2
225.05521	1.4
227.03493	0.6
268.03671	0.3
269.04523	100.0
270.04849	6.1
271.05066	0.2
275.09000	0.3
283.06088	0.2
293.10324	0.2
295.72308	0.2
311.05658	0.4
445.07721	36.6
446.08023	3.2
504.92883	0.2
514.86499	0.2
555.44501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.4
67.36906	0.1
69.01415	0.1
69.91178	0.1
70.56663	0.4
71.01380	2.1
72.99302	0.3
73.02985	0.2
75.00883	0.7
83.01374	0.3
83.04982	0.1
85.02943	2.6
86.93059	0.1
87.00871	0.6
89.02434	0.4
93.03462	0.3
95.01380	0.9
99.00887	1.3
103.00364	0.2
107.01386	1.3
109.02949	0.5
113.02444	2.1
114.50839	0.1
115.00368	0.3
116.26448	0.1
117.01915	0.2
121.02937	0.4
129.01926	0.2
133.02945	4.2
133.04472	0.2
135.04514	0.3
147.04575	0.1
149.02429	1.3
151.00354	3.4
166.02705	0.4
169.06577	0.2
171.04483	0.2
173.04555	1.3
175.02527	0.3
175.03951	1.9
177.01941	0.4
181.05070	0.6
185.06047	0.4
187.03969	0.2
187.07726	0.2
189.05524	0.2
191.05606	0.8
197.06042	0.3
198.82408	0.1
199.04005	1.8
200.04335	0.2
201.01904	0.6
205.86008	0.1
211.03922	0.2
213.05611	0.3
215.03481	0.4
217.05075	1.3
223.03914	0.2
231.10254	0.2
239.03464	0.2
240.04265	0.2
241.04999	0.6
242.02184	0.2
243.02988	0.7
255.02997	0.3
257.04471	0.4
267.02982	0.3
275.09335	0.3
283.02579	0.2
283.06055	0.2
284.03247	0.4
285.04019	100.0
286.04373	4.3
297.03934	0.4
307.11844	0.4
311.05515	0.4
327.05038	1.3
355.04410	0.2
357.06021	0.9
369.06085	0.3
381.06128	0.3
399.07199	0.2
417.15665	1.2
431.10046	0.5
449.14532	0.3
461.07208	60.3
462.07608	4.4
462.14407	0.2
481.16757	0.6
538.77661	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	2.7
69.03455	1.3
69.21698	0.5
70.84686	0.6
71.01379	4.9
71.12957	0.6
71.55527	0.7
73.02942	1.3
78.95911	0.6
81.03442	1.3
83.01382	1.0
83.05034	1.3
85.02949	4.2
85.34560	0.6
86.31932	0.5
86.34557	0.6
87.00884	3.4
89.02437	2.6
93.03458	23.8
96.96008	2.4
97.06585	1.6
99.00880	0.7
101.02445	3.8
105.03445	1.6
109.02972	1.1
111.00807	0.6
111.04536	6.0
112.42149	0.6
113.02435	1.9
117.03436	0.8
119.05032	0.9
121.02949	0.9
123.04500	0.8
125.02467	0.7
127.03973	0.8
129.01939	0.6
132.02126	0.6
133.02054	0.8
133.02966	10.9
134.03743	41.1
135.04536	11.0
137.02440	7.6
139.03998	1.3
145.02960	2.7
149.02417	1.1
151.03934	0.8
155.03487	5.6
160.01651	1.7
161.02444	8.8
161.04538	1.5
162.03221	32.3
163.03911	0.9
163.11430	0.6
165.12828	5.1
173.04547	38.0
177.01930	7.5
178.02719	9.1
179.03444	1.8
183.13895	59.1
184.14281	1.8
187.07626	1.1
191.05615	24.6
192.05972	1.2
209.11864	1.8
221.08151	0.6
227.12904	5.2
231.10278	6.6
253.09282	4.3
257.08224	1.1
269.04343	1.0
275.09244	86.9
276.09607	3.5
308.08890	0.8
319.44666	0.6
327.04886	0.7
351.06778	1.0
352.08017	1.8
357.21262	0.7
369.49121	0.7
449.14526	59.1
450.14896	4.1
463.21848	100.0
464.22092	7.1
467.15601	0.8
547.15936	0.7
927.09802	0.8
930.69171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	2.6
69.03425	0.7
71.01379	5.2
71.56393	1.1
72.99320	1.0
73.02931	1.6
74.98024	0.8
81.03449	1.0
83.05019	1.7
85.02938	4.2
87.00856	2.7
87.23067	0.6
89.02441	2.5
89.81058	0.7
91.03683	0.7
93.03455	18.8
96.95993	5.1
97.06564	1.5
101.02447	3.6
103.03941	1.2
109.02934	1.0
111.04533	5.6
113.02452	2.4
119.03504	1.1
120.12214	0.7
127.03988	1.0
133.02921	4.6
134.03731	29.0
134.92935	0.7
135.04613	4.3
137.02411	4.0
139.03979	0.8
145.02887	2.4
149.02414	1.9
155.03499	4.0
158.64369	0.8
160.01608	1.1
161.02464	6.4
161.04457	1.1
162.01816	0.7
162.03209	26.9
165.12843	6.8
173.04535	38.9
174.04788	0.9
175.04054	0.8
177.01927	3.0
178.02640	2.2
179.03459	1.2
183.13876	61.7
184.14156	2.5
191.05595	22.0
192.05844	1.1
209.11818	1.8
211.13315	0.8
227.12880	7.1
229.08742	0.9
231.10242	2.2
253.09261	3.2
262.02075	0.8
269.04611	1.2
275.09238	54.3
276.09512	1.3
358.08505	0.7
449.14474	38.0
450.15002	3.1
463.21811	100.0
464.22067	7.3
529.14862	0.9
547.15625	1.1
609.10132	0.8
721.30396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.9
65.03950	0.3
67.01884	2.1
68.99792	0.4
69.32076	1.7
69.32501	0.9
71.01378	6.5
72.99299	3.2
73.02938	1.2
75.00858	2.5
81.03459	0.6
83.01385	0.9
83.05032	1.4
84.02161	0.3
85.02947	12.5
87.00879	2.8
89.02430	0.9
93.03457	12.1
95.01393	3.5
96.96000	0.4
97.06565	2.4
98.20673	0.6
99.00889	3.9
101.02450	0.5
103.00370	1.5
105.02250	0.3
105.03440	0.4
107.01389	1.4
107.05009	0.5
108.02224	0.4
109.02948	4.6
111.00872	0.8
111.04517	3.1
112.05260	0.3
113.02447	19.0
114.02780	0.4
115.00343	0.8
117.01929	1.3
117.03452	3.7
121.02943	1.4
123.04547	0.9
127.04041	0.4
129.01917	1.5
133.02959	2.2
134.03738	49.1
135.04555	10.7
136.01666	3.0
136.04799	0.4
137.02451	5.3
139.00415	0.4
139.03981	0.6
149.02435	1.7
150.03273	0.6
151.00392	2.1
151.03999	6.8
155.03506	3.6
157.01430	0.3
159.04489	1.0
161.02425	0.7
162.03291	0.7
169.06645	0.3
173.04538	32.7
174.04904	0.9
174.06836	0.5
175.02469	10.6
177.01915	3.0
178.02705	13.0
179.03467	3.8
181.06569	0.6
183.04469	1.0
187.07657	0.4
191.02017	0.6
191.05592	6.5
192.05969	0.5
195.02995	1.1
197.06000	0.7
199.04018	0.4
201.05539	0.9
202.06271	0.5
203.10754	0.5
209.11925	0.4
225.05573	1.3
225.61852	0.3
227.03358	0.6
231.10252	5.7
268.03650	3.1
269.04526	100.0
270.04849	6.5
270.07565	0.6
271.05075	0.4
275.09207	6.1
283.06113	0.4
291.02783	1.3
291.93176	0.4
293.10297	57.2
294.10666	3.3
311.05637	0.4
331.17731	0.4
373.18723	0.9
437.14600	1.5
445.07727	30.4
446.08102	3.1
449.14456	1.3
467.05820	11.4
467.15469	51.1
468.06226	0.7
468.15991	4.6
716.97858	0.4
883.93573	0.4
913.13928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89640	0.1
66.64362	0.1
67.01879	0.1
69.03469	0.1
69.22581	0.1
69.93901	0.2
69.94301	0.4
71.01380	0.2
71.05018	0.2
81.03452	0.9
83.05022	2.6
84.02125	0.1
84.79121	0.1
85.02946	0.3
87.00872	0.2
93.03490	0.2
93.82123	0.1
94.61501	0.1
97.06567	0.3
108.04550	0.2
113.02441	0.2
125.07154	0.1
125.09729	1.4
127.11291	2.4
133.03015	0.1
134.03728	0.2
139.19730	0.1
143.10725	0.2
155.14445	0.7
163.11272	0.2
165.12830	0.6
167.14394	1.9
171.10257	2.7
173.04521	0.2
173.87782	0.1
183.13887	1.3
191.05605	0.2
193.12328	0.6
199.13434	0.2
207.15047	0.2
209.11818	2.2
210.12285	0.1
211.13377	8.0
212.13744	0.3
219.50105	0.1
224.17650	0.4
225.16069	1.9
225.18108	0.2
227.12953	0.2
229.14423	100.0
230.14766	3.2
231.10184	0.2
269.04538	0.7
275.09158	0.7
285.04166	0.2
325.03497	0.2
367.27026	0.3
433.32074	0.2
445.07968	0.2
449.14722	0.3
450.34427	0.2
451.32797	1.8
550.43445	0.2
593.43805	0.2
631.94623	0.1
659.48840	0.5
677.49640	35.5
678.50049	4.0
826.75452	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.4
65.00319	0.6
71.01383	1.7
71.56107	0.4
72.99301	0.3
75.00858	1.0
78.21069	0.2
83.01369	0.5
85.02962	2.3
87.00885	0.4
89.02425	0.5
89.33591	0.3
95.01384	0.6
99.00870	1.0
103.00420	0.4
105.03457	0.3
107.01374	1.0
109.02925	0.9
113.02425	2.0
121.02937	0.6
125.02457	0.4
129.01926	0.3
133.02959	7.3
135.04533	0.6
147.04533	0.4
148.01921	0.3
149.02438	2.3
151.00381	2.9
161.02502	0.6
163.00294	0.6
163.04033	0.7
165.01927	0.6
171.04491	0.3
175.02637	0.4
175.04045	2.6
177.01974	0.6
183.33975	0.3
185.06036	0.7
191.03490	0.5
191.05501	0.8
193.01398	0.5
198.03244	0.4
199.03995	2.3
201.02005	0.9
211.04088	0.4
211.07602	0.5
213.05472	1.0
215.03490	0.6
217.05005	1.4
225.05585	0.4
227.07140	0.4
229.08620	0.6
240.04248	0.4
241.05023	1.2
243.02908	0.7
255.02971	0.5
255.06671	0.8
257.04602	0.5
268.12094	0.3
283.02515	0.5
284.03259	3.2
285.04041	100.0
286.04395	7.0
297.04016	5.6
298.04773	2.6
299.05606	6.3
300.05936	0.4
311.05487	1.1
325.03391	0.5
327.05084	30.2
328.05487	1.9
339.05276	1.5
355.04767	0.3
357.06183	8.2
358.06476	0.4
369.05957	0.7
381.06165	0.4
393.06461	0.4
447.09302	25.5
448.09723	2.2
461.07257	64.4
462.07651	6.0
463.07706	0.7
517.90051	0.3
525.80402	0.3
881.25281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	4.8
65.00323	21.6
71.01377	8.5
71.54849	0.8
72.99322	1.3
75.00865	1.1
77.19624	0.7
77.86621	0.8
81.03473	1.0
83.01384	10.7
85.02946	5.9
87.00871	2.6
89.02433	3.8
93.03426	1.0
95.01383	2.2
96.95982	3.1
99.00874	2.2
101.02444	3.1
107.01385	27.9
107.15386	0.7
113.02455	6.0
115.00368	0.9
121.02958	1.0
122.27070	0.7
123.04523	2.7
124.01659	1.0
125.02443	33.4
126.02739	0.8
134.03682	1.0
135.04466	0.9
138.02794	0.8
151.00362	62.8
151.89613	0.8
152.00763	1.3
158.03714	0.8
161.02472	2.1
161.04546	0.7
165.01945	2.1
166.95721	0.7
167.03502	3.6
167.04738	0.8
172.05290	4.1
173.04527	1.9
173.05916	1.0
174.03192	2.1
177.01968	1.1
181.28906	1.0
185.06136	1.9
186.06842	4.9
191.05568	3.1
197.06024	0.9
199.07520	1.1
200.04800	1.0
212.04765	2.9
216.04150	0.9
223.07718	0.8
227.03445	1.6
228.04192	0.9
240.04390	1.1
251.07083	0.9
255.02875	1.3
255.13828	2.4
256.03732	2.2
269.15347	0.8
271.17111	0.9
275.09268	1.9
281.15436	1.7
283.02451	2.0
284.03232	5.6
285.03860	1.6
295.02536	0.9
296.03210	3.5
297.03925	1.3
297.14935	16.4
298.04807	1.3
298.15369	0.8
309.03925	8.2
315.15964	8.1
321.14999	0.9
324.02847	1.1
325.14453	12.5
326.14566	1.0
336.02908	1.1
337.03479	0.8
338.04150	1.2
339.16006	1.9
341.13916	2.2
343.15479	16.4
343.21213	2.7
344.15610	1.3
349.14310	1.8
367.15399	3.8
369.13336	4.3
391.15442	3.2
399.07501	0.9
433.16348	1.6
449.15863	9.7
459.14578	4.6
467.16882	6.5
477.15466	7.8
478.15784	1.1
495.16898	1.0
551.18842	1.3
579.24408	4.2
603.24316	4.0
605.22308	4.6
627.24438	1.2
641.54730	0.8
669.25146	1.3
703.26709	1.3
713.24487	6.7
714.24451	1.7
731.25507	82.7
732.25751	11.0
804.77155	0.9
907.28729	100.0
908.29034	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	907.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	4.5
65.00319	22.7
69.71097	1.1
70.47060	1.0
71.01379	6.7
71.55547	2.0
73.02931	1.7
75.00887	1.9
83.01378	10.8
85.02935	5.9
87.00871	2.1
89.02432	1.8
93.03419	1.8
95.01383	2.5
96.95993	4.3
99.00871	2.3
101.02425	3.0
107.01391	24.2
113.02421	3.6
117.88531	1.1
123.04525	2.8
124.01652	1.1
124.12238	1.1
125.02438	33.6
137.02409	1.4
151.00363	55.5
153.01871	1.3
159.04500	1.3
161.02437	2.5
165.01918	1.2
167.03479	3.7
172.05257	5.5
173.04579	2.8
174.03148	3.1
185.06053	2.1
186.06837	3.8
188.04813	1.1
191.05641	5.3
200.04791	1.9
209.11885	1.3
212.04724	2.9
227.03326	1.3
240.04140	1.3
255.03079	1.9
255.13718	1.4
256.03708	2.4
283.02313	1.8
284.03296	8.0
285.03976	2.1
296.03232	3.3
297.03952	1.5
297.14905	14.9
298.15366	1.3
305.04779	1.2
309.04086	5.6
315.15942	12.1
323.12686	1.5
324.02661	1.4
325.14462	8.0
339.15808	1.9
341.13934	2.9
343.15485	18.2
343.19846	1.4
343.21497	1.6
367.15457	3.8
369.13254	5.4
391.15359	2.7
449.16119	9.9
459.14499	4.2
467.16849	7.4
477.15561	8.3
579.24335	3.3
603.24524	3.7
605.22418	4.6
627.24677	1.5
669.26208	1.4
671.24030	1.4
703.26044	1.4
713.24628	6.4
731.25537	80.7
732.25745	10.5
889.27161	1.9
907.28729	100.0
908.28888	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	907.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02465	0.4
65.00077	0.4
65.00407	0.6
69.26430	0.6
69.26852	1.2
71.01034	0.3
71.01458	2.6
72.99367	0.5
75.00954	1.1
83.01453	0.4
85.02950	4.0
87.00972	0.8
89.02503	0.4
93.03516	0.3
95.01380	1.5
99.00878	1.7
101.02484	0.2
103.00446	0.6
105.03551	0.3
107.01393	1.5
108.02179	2.0
109.02943	1.4
113.02448	5.8
117.01998	0.5
117.03495	0.9
119.05122	0.7
121.03059	0.5
129.01997	0.3
133.02959	3.7
145.02971	1.8
147.00882	0.2
149.02393	1.5
151.00356	3.0
152.01154	3.3
153.01942	1.8
159.04558	0.4
161.02419	0.2
163.04089	0.6
171.04567	0.5
173.04617	0.3
175.02539	2.7
175.04062	1.6
177.01990	0.3
179.16371	0.2
185.06091	0.3
187.04012	0.3
189.05617	0.2
191.05682	0.4
192.00702	0.6
196.05293	0.2
197.06117	0.4
198.03297	0.3
199.03958	1.6
200.04385	0.2
201.02017	0.3
206.31351	0.2
213.05614	0.7
215.03563	0.3
217.05035	1.1
223.04060	0.3
225.05701	0.2
226.08086	0.2
239.03276	0.4
241.05103	1.0
243.02988	0.5
255.03139	0.3
256.03452	0.4
257.04553	0.6
267.03049	0.3
268.03784	3.2
269.04535	11.2
270.04901	0.9
283.02518	0.5
284.03162	0.8
285.04025	100.0
286.04379	5.0
297.03885	0.3
298.04733	0.3
327.05090	1.4
341.06458	0.3
357.06073	0.7
369.06183	0.3
381.06262	0.3
407.34586	0.2
445.07816	2.8
446.07687	0.3
461.06943	48.6
462.07309	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	905.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29456	2.2
71.01389	1.5
73.02930	0.7
77.03956	1.4
79.01894	0.8
83.01373	0.4
85.02955	0.4
87.00857	0.3
89.02435	0.5
93.03432	1.4
99.00903	0.3
101.02429	0.8
104.76591	0.3
105.03468	0.7
107.01396	0.4
113.02421	0.5
117.03465	5.6
119.05002	0.7
121.02938	1.7
125.02433	0.4
127.27494	0.3
133.02931	0.5
135.04549	1.9
137.02493	0.3
145.02945	0.7
147.04482	0.5
148.06662	0.2
149.02411	1.6
151.00267	0.3
159.04500	1.0
161.02429	2.7
163.03993	2.6
165.01895	0.4
173.02374	0.5
173.04510	0.6
175.00352	0.3
175.04057	0.3
179.03491	0.7
181.41566	0.2
183.04518	0.4
191.03462	1.3
191.05565	1.1
197.06087	0.5
199.03979	0.3
201.11284	0.8
202.11717	0.4
203.03522	0.7
205.79749	0.3
209.11804	1.3
210.12170	0.7
211.07600	0.5
215.07117	0.5
224.04602	0.4
225.05478	0.5
229.01454	0.3
237.05510	0.3
239.07072	1.6
246.14024	0.3
251.07343	0.3
253.05119	0.4
255.06540	0.3
264.19690	0.3
268.03748	1.9
269.04565	2.0
281.04553	2.3
282.05280	1.8
283.06097	36.8
284.06473	2.5
285.04013	3.5
286.04388	0.3
293.04468	1.8
295.05988	0.9
297.00632	0.3
297.03915	0.3
309.03912	0.6
311.05579	72.7
312.05917	4.5
314.04352	0.6
323.05606	3.0
341.06656	7.3
342.06940	0.4
369.19019	0.5
387.20377	0.6
397.13809	0.4
429.21094	1.5
431.09781	100.0
432.10153	9.0
433.10599	0.5
461.07086	2.0
625.87445	0.4
724.84998	0.3
853.40216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12152	0.5
69.03471	0.7
71.01376	12.4
71.05009	2.0
71.56634	0.6
72.42967	0.7
72.99290	1.1
73.02940	1.9
77.09625	0.6
80.96495	3.3
83.01385	1.2
83.04994	0.8
85.02936	2.6
87.00861	2.3
89.02435	7.1
94.98078	0.9
95.01367	1.0
95.05052	0.8
96.95995	1.1
97.02972	3.8
97.06564	2.3
99.00879	13.0
100.92928	0.6
101.02449	7.1
109.06573	1.4
110.03759	0.9
113.02441	3.8
119.03510	1.5
123.08159	1.3
125.02441	1.6
125.09705	6.0
142.02721	1.2
143.03481	0.8
155.14490	0.6
161.04535	1.4
163.11256	7.1
171.10268	4.5
179.05560	1.9
181.12326	13.4
191.05611	0.7
197.11821	0.7
199.13374	7.9
201.11322	1.7
207.10254	27.8
208.10626	1.1
221.06609	2.7
221.08755	0.6
225.11305	40.3
226.11635	2.1
235.08133	1.3
243.12352	20.2
244.12842	0.7
277.21695	15.4
278.22189	0.9
379.12250	0.9
397.13394	5.4
415.14423	1.7
543.55157	0.6
623.25372	1.9
641.26489	2.5
708.93475	0.8
883.46667	2.1
901.47888	100.0
902.48212	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	899.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	3.0
71.01386	13.9
71.05008	1.6
71.55899	0.9
72.79634	0.5
72.99338	1.2
73.02961	1.9
78.95900	1.1
79.95747	1.3
80.96516	2.8
83.01408	2.8
85.02945	3.0
87.00882	1.9
89.02449	8.5
95.01398	0.9
97.02946	1.8
97.06590	0.9
99.00867	1.3
101.02457	8.1
113.02441	3.7
119.03509	2.0
125.02444	2.5
125.09727	1.4
143.03535	0.9
151.11250	1.5
153.12914	1.1
161.04544	1.3
161.09705	2.5
179.10785	3.0
197.11842	52.4
198.12102	2.7
211.13382	3.8
221.06648	1.3
223.09793	1.7
225.00665	0.9
235.08141	1.1
241.10847	3.3
241.14491	1.7
253.09328	0.6
273.26071	0.6
277.21753	21.3
278.22076	1.5
397.13446	2.1
471.15540	1.7
899.46509	100.0
900.46790	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18385	0.7
65.10454	0.8
69.03446	1.1
69.20167	5.8
69.20583	1.9
69.79333	0.7
71.01389	12.7
71.05013	2.7
72.99302	1.5
73.02961	1.9
80.96549	2.1
83.01391	1.4
83.05006	1.1
85.02946	2.6
87.00871	3.3
89.02445	7.1
95.01380	1.2
97.02953	5.2
97.06586	2.6
99.00883	13.8
101.02446	6.5
109.06591	1.4
113.02448	3.6
119.03494	1.9
123.08147	1.2
125.02411	2.6
125.09731	7.6
127.11312	0.9
130.31284	0.8
135.08092	0.7
143.03510	0.9
161.04610	1.4
163.11270	6.8
171.10271	5.8
181.12364	12.1
199.13385	7.7
201.11292	2.0
207.10278	20.6
216.48770	0.9
221.06551	1.3
225.11327	26.1
226.11621	1.1
235.08257	1.2
243.12386	10.2
256.17844	0.7
275.21143	0.9
277.18860	1.7
277.21725	24.9
278.22018	1.3
311.19974	0.9
397.13663	5.4
415.14691	1.1
416.14069	0.9
605.24286	1.0
623.25928	1.7
641.26434	1.2
672.61707	0.9
883.46991	2.4
901.48029	100.0
902.48145	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	897.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.6
69.48427	2.3
69.48846	2.1
71.01380	31.3
72.01723	0.8
72.99299	3.1
73.02940	4.1
81.03436	1.4
83.01389	2.9
83.49895	0.6
85.02948	7.2
86.99689	0.6
87.00876	9.7
89.02440	26.3
95.01359	2.8
96.96013	2.0
97.02950	2.7
98.20664	0.7
99.00851	1.1
101.02439	24.7
109.02947	0.9
113.02446	16.6
119.03515	5.4
125.02435	7.7
131.03500	4.7
137.02446	0.8
143.03505	3.8
151.24773	0.7
161.04547	7.6
167.03568	0.9
173.04517	1.0
179.05571	8.5
191.05528	0.8
203.05597	1.7
221.06671	4.5
235.08200	2.8
235.34079	0.5
253.09309	1.5
263.07611	0.7
264.33865	0.7
277.21701	17.2
284.03775	0.7
323.09656	1.5
363.63879	0.7
365.10938	1.0
379.12338	2.3
383.11990	2.4
397.13504	7.4
415.14526	3.8
431.95300	0.6
439.14481	1.3
467.14056	0.9
485.14804	1.2
559.18732	100.0
560.19177	7.2
577.19781	31.2
578.20215	1.9
654.17651	0.7
837.41309	10.6
838.41504	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	899.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.8
71.01375	0.7
72.99287	0.3
77.03946	0.8
79.01886	0.6
81.49448	0.3
83.04998	0.7
83.05462	0.3
85.02923	0.8
87.00868	0.6
89.67344	0.2
93.03452	6.8
96.95997	0.3
97.06572	1.3
98.19823	0.5
99.13724	0.3
105.03432	1.0
107.01439	0.3
109.02938	1.5
111.04503	1.9
117.03448	6.0
119.05051	0.5
121.02948	1.7
123.04498	0.4
129.01871	0.3
133.02916	1.2
134.03734	21.2
135.04530	6.7
136.01646	1.3
137.02446	2.2
147.04401	0.4
149.02444	1.6
151.03957	0.9
155.03467	1.7
159.04538	1.5
161.02441	2.2
163.03990	2.7
173.04547	15.6
173.05963	0.8
174.04837	0.4
174.06825	1.6
175.07632	0.7
177.01845	2.3
178.02693	5.9
179.03418	2.2
183.04523	0.4
187.04015	0.3
187.07596	1.8
191.03500	1.1
191.05592	9.1
192.05936	0.3
193.01350	0.3
196.05214	0.3
197.06046	0.5
202.06302	1.0
203.03577	0.5
203.10780	1.6
205.08623	0.4
211.07599	0.6
213.09193	1.2
215.07216	0.6
224.04752	0.4
225.05624	0.4
231.10268	3.6
232.10822	0.3
239.07050	1.1
241.18129	0.3
247.09702	0.6
250.91547	0.3
257.08188	1.2
268.03717	1.7
269.04510	2.1
275.06158	0.4
275.09225	9.1
276.09650	0.4
281.04349	1.9
282.05237	1.4
283.06097	37.7
284.06418	2.3
285.04175	0.6
293.04587	1.7
293.10287	29.4
294.10660	1.2
295.06097	1.1
309.04010	0.8
311.05582	76.3
312.05920	4.6
314.04312	0.5
323.05548	2.9
341.06628	7.1
342.06940	0.7
353.06366	0.4
431.09787	100.0
432.10168	8.7
437.14493	0.4
449.14496	8.0
450.14923	0.8
467.15549	28.2
467.25681	0.8
468.15988	2.7
526.68579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96218	0.4
69.03458	0.4
70.46284	0.3
71.01369	3.8
71.56281	0.4
73.02935	0.6
78.98592	3.4
79.95722	5.8
80.96509	38.8
81.03442	0.5
83.01395	0.3
85.02930	1.9
87.00858	1.4
94.98080	9.7
96.96010	0.9
97.02935	1.0
99.00868	0.5
100.14757	0.3
101.02419	1.3
104.81177	0.3
106.98071	2.0
122.97586	3.1
125.02459	1.6
127.04026	0.5
134.97565	2.9
136.99127	0.6
148.99146	3.7
152.98624	4.5
152.99759	0.5
164.98611	7.9
167.00273	0.5
182.99631	0.9
199.65620	0.3
200.29659	0.3
206.99684	2.0
225.00714	13.3
240.18318	0.3
243.01776	1.3
277.21735	1.7
299.04337	3.8
315.46143	0.3
577.26807	100.0
578.27106	10.7
599.23981	0.5
776.20538	0.3
893.45605	0.5
924.02203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30441	1.0
75.50101	0.1
78.95907	4.3
86.65255	0.1
98.20703	0.3
100.34235	0.1
103.02604	0.1
110.98540	3.4
111.42743	0.1
137.00082	0.1
142.21474	0.1
152.99542	0.3
167.01147	1.5
185.00679	0.3
185.02216	3.7
210.42160	0.1
220.17516	0.1
252.18019	0.2
253.56982	0.1
261.22287	0.4
264.87915	0.1
279.23285	100.0
280.23630	5.8
433.96594	0.1
447.25159	43.9
448.25473	3.0
455.46530	0.2
603.88000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	1.3
65.00330	0.8
67.01886	0.4
67.92850	0.2
68.99796	0.2
69.41044	1.4
71.01376	5.1
72.99300	1.1
73.02934	0.7
73.07265	0.2
75.00871	2.7
81.80087	0.2
83.01389	0.7
84.02153	0.2
85.02943	13.7
86.03255	0.2
87.00874	2.1
89.02428	0.7
93.03454	0.2
95.01381	3.6
99.00882	4.5
101.02461	0.3
103.00369	1.3
105.03461	0.3
107.01399	1.5
113.02444	16.4
114.02757	0.4
115.00352	1.0
117.01984	1.0
117.03447	4.4
121.02982	0.2
126.32162	0.2
129.01961	0.9
135.04463	0.3
139.00383	0.2
144.72255	0.2
149.02396	1.6
151.00404	1.8
155.04974	0.2
157.01376	0.3
159.04521	1.4
161.02431	0.7
169.06586	0.6
173.95897	0.2
175.02467	6.7
181.06598	0.8
183.04485	0.8
196.05367	0.4
197.06044	0.7
199.03995	0.3
199.85489	0.2
201.05597	0.8
203.03423	0.2
212.06633	0.2
224.04817	0.4
225.05553	1.8
227.03497	0.5
241.05054	0.3
268.03934	0.2
269.04523	100.0
270.04874	5.6
278.51764	0.2
415.93143	0.2
439.10583	0.2
445.07712	14.7
446.08112	2.0
856.51825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.5
65.00302	0.5
66.07705	0.1
68.91857	0.1
68.99805	0.1
69.63018	0.5
71.01376	2.0
72.99308	0.4
73.02942	0.2
75.00871	0.7
83.01389	0.5
83.89071	0.1
85.02949	2.6
87.00882	0.6
89.02415	0.3
89.52343	0.1
89.52935	0.1
95.01382	0.7
95.33394	0.1
99.00878	1.1
103.00363	0.3
105.03467	0.3
107.01392	1.2
109.02943	0.4
111.00899	0.1
113.02438	2.0
115.00381	0.4
117.01945	0.4
117.03440	0.2
121.02983	0.5
129.01923	0.2
133.02945	4.8
134.03268	0.1
135.04572	0.2
147.04536	0.1
149.02423	1.3
151.00357	3.1
151.01579	0.2
151.04100	0.1
157.06516	0.1
160.31813	0.1
161.02466	0.1
169.06624	0.1
171.04486	0.3
173.02383	0.1
173.05959	0.2
175.02458	0.5
175.03986	2.1
177.01929	0.3
183.04395	0.1
185.06067	0.5
197.06033	0.2
198.03191	0.2
199.03990	1.6
201.01933	0.7
211.03955	0.2
212.04712	0.2
213.05493	0.5
214.02718	0.1
215.03435	0.4
217.05042	1.1
223.04057	0.2
224.04724	0.1
229.04915	0.1
239.03331	0.2
240.04143	0.1
241.04953	0.7
242.02170	0.1
243.03008	0.6
255.03102	0.1
257.04510	0.4
267.03015	0.2
268.03546	0.2
269.04492	0.2
283.02707	0.2
283.06094	0.8
284.03287	0.5
285.04016	100.0
286.04361	5.2
297.03992	0.5
298.04459	0.1
299.05594	0.2
311.05505	1.0
327.05112	1.2
328.05399	0.1
339.04855	0.1
341.06729	0.2
355.04446	0.3
357.06152	0.9
363.05270	0.1
369.06070	0.2
381.06042	0.3
431.09848	0.7
443.59036	0.1
461.07205	53.6
462.07578	4.6
575.24774	0.1
717.13336	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	0.8
68.99780	0.6
69.50106	3.4
71.01382	14.5
72.99314	2.9
75.00869	6.5
75.67593	0.5
83.01425	0.8
85.02947	31.6
85.85266	0.5
87.00875	4.1
89.02449	2.2
93.03467	0.9
93.83931	0.5
95.01387	9.5
95.01945	1.0
96.95999	1.7
99.00883	10.3
101.02433	1.0
103.00364	4.3
104.42352	0.5
111.00874	1.1
113.02448	63.8
114.02747	1.3
115.00356	2.3
117.01944	2.7
129.01933	2.4
135.04510	0.7
151.00323	0.8
157.01433	1.4
173.04449	0.7
175.02469	33.6
181.29291	0.5
191.05583	3.5
211.13368	1.2
214.27895	0.8
227.03470	0.7
229.14304	0.7
255.02969	66.4
256.03503	5.0
268.03741	0.8
277.49377	0.5
283.02451	24.7
284.03214	21.6
285.03833	3.6
297.04126	3.3
312.63745	0.6
323.05423	0.7
327.21707	5.7
364.72031	0.6
381.09772	100.0
382.10178	8.1
397.98456	0.5
399.07498	0.7
459.05679	2.7
460.06476	2.8
557.12933	49.5
558.13263	5.2
647.80347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01567	0.3
67.01891	3.5
69.03439	0.8
69.62032	0.8
71.01003	0.2
71.01376	3.2
73.02915	0.3
73.48972	0.2
75.00863	0.3
81.03441	0.7
81.68841	0.2
83.05003	0.9
85.02940	1.9
85.89281	0.2
87.00845	0.4
89.02464	0.2
93.03455	21.7
94.03775	0.4
95.01420	0.4
95.04998	0.2
96.96005	0.8
97.02930	0.5
97.20592	0.2
99.00892	1.1
99.04529	0.3
108.02130	0.2
109.02951	1.1
111.00866	0.7
111.04518	4.2
113.02453	2.7
113.06078	0.4
117.01940	0.2
117.03452	0.5
119.04950	0.2
121.06577	0.2
122.03734	0.4
123.08142	0.3
125.06097	0.3
127.03996	0.5
135.04492	0.4
135.08118	0.2
136.05273	0.6
137.02432	3.1
137.06087	0.3
138.06863	0.7
138.10516	0.2
139.07646	1.2
148.05348	0.2
151.07628	2.6
152.04774	0.3
152.08452	1.4
153.09233	0.4
155.03500	3.4
161.02342	0.2
161.09654	0.3
163.07617	0.2
163.71072	0.2
173.04536	100.0
174.04887	2.6
175.02469	1.4
191.05606	1.0
201.12846	1.7
203.10739	0.5
204.11557	2.7
219.13895	4.1
225.05646	0.2
231.10257	0.2
257.08328	0.2
263.12848	7.3
264.13199	0.5
269.04526	11.2
270.04810	0.7
275.09253	0.4
395.21600	0.2
413.78610	0.2
437.18204	40.1
438.13239	0.3
438.18594	3.2
445.07730	3.4
446.07925	0.3
449.14468	0.2
457.16757	0.2
474.86966	0.2
666.67346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89087	0.6
67.01747	2.5
67.02135	1.5
69.03333	1.4
71.01224	3.0
71.13667	0.6
73.02840	0.9
75.70979	0.6
77.03864	0.9
81.03314	1.6
83.04860	1.9
83.05318	1.0
85.02782	5.5
85.03342	1.2
87.00696	3.1
87.01280	1.3
87.94906	0.6
93.03278	25.7
93.03934	4.7
94.03648	0.8
95.04936	0.6
96.95840	1.1
101.02295	1.0
105.03343	1.0
109.02757	2.3
111.04324	6.2
112.20796	0.6
113.02325	0.8
115.15682	0.6
116.47258	0.6
117.03257	5.8
119.04825	1.1
121.02765	1.6
123.04386	1.2
127.03870	1.3
133.02734	3.4
134.03525	5.1
135.04286	3.2
137.02206	3.5
145.02771	1.0
146.03592	0.8
147.04413	1.3
149.02303	1.6
149.05930	0.9
155.03278	6.6
158.03505	1.9
159.04489	5.3
161.02393	3.5
163.03763	2.9
165.01749	1.1
169.09891	0.7
172.05266	3.9
173.04550	79.6
173.05904	8.1
173.06763	2.3
173.60176	0.7
174.04675	2.0
174.06833	5.6
175.03784	0.7
175.07614	5.1
175.90048	0.7
179.03371	1.0
183.04308	1.1
185.09631	0.7
187.03789	2.0
187.07635	27.0
188.07904	1.0
191.05608	76.4
192.05721	2.6
197.05922	1.2
198.06631	0.7
200.04622	1.0
201.05331	2.7
202.06323	11.3
203.03340	0.7
203.06770	1.6
203.10791	6.6
211.07425	0.8
213.09200	11.4
215.07112	7.6
216.07596	1.5
227.03256	1.1
228.04059	0.8
229.08418	2.8
231.06360	2.5
231.10249	26.3
232.10414	1.5
239.06903	1.2
257.08206	15.7
258.08304	1.1
268.03619	1.6
269.04263	2.2
275.09241	79.1
276.09573	4.7
281.04370	2.2
282.05225	0.9
283.06119	42.3
284.06274	2.0
285.03775	1.1
293.04379	2.2
311.05597	73.8
312.05911	5.9
323.05542	3.3
327.05099	0.8
341.06665	6.9
342.07028	0.7
405.11987	1.2
405.21252	0.7
431.09775	98.3
432.04614	1.2
432.10129	9.1
433.10199	1.1
448.09576	1.3
449.14529	100.0
450.14838	10.1
461.07587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68158	0.4
69.03443	0.3
71.01382	0.5
71.55715	0.4
72.03031	0.3
83.05017	0.4
85.02937	0.5
87.78588	0.3
96.96017	1.7
97.80456	0.3
99.08160	3.5
125.09681	0.8
127.11280	1.1
135.04541	0.4
139.11316	1.6
165.12865	0.6
167.14378	1.0
171.10272	7.2
172.10628	0.5
173.04517	1.0
183.13911	3.4
184.03860	0.3
191.05605	1.6
192.05922	0.5
193.12358	1.3
201.14836	0.4
209.11766	1.3
211.13391	21.6
212.13808	0.8
227.21054	0.3
229.14433	15.1
230.14755	0.6
232.64984	0.3
253.09149	0.5
268.06799	0.3
291.19705	0.8
293.21222	1.4
302.22400	0.4
309.20651	1.0
311.22412	0.5
327.22168	0.4
328.22260	0.3
329.23315	100.0
330.23666	6.9
500.92953	0.4
752.21826	0.4
850.75140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03712	0.2
71.01395	0.4
81.03462	0.4
83.05025	0.7
85.02943	3.5
87.00877	0.8
93.03450	3.5
98.19860	0.5
109.02934	0.5
111.04514	2.6
117.03477	0.3
119.05022	59.8
120.05350	2.1
127.04060	1.6
129.01904	0.3
135.04529	0.4
137.02499	0.4
145.02959	0.9
155.03494	2.6
163.03998	100.0
164.04326	3.7
173.04541	5.2
191.05600	51.0
192.05933	1.3
233.37297	0.2
337.09262	76.7
338.05862	0.4
338.09598	6.1
354.61246	0.3
544.54779	0.3
727.10388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.4
63.02386	1.0
65.00308	0.6
67.01870	0.8
68.99840	0.3
71.01376	4.6
71.56543	0.4
72.99294	0.9
73.02928	0.8
75.00872	2.5
83.01390	0.6
85.02945	12.5
87.00858	2.0
89.02441	1.3
91.82539	0.3
93.03435	1.1
93.27020	0.3
95.01380	3.3
96.95971	1.5
99.00872	4.5
101.02471	0.5
101.44285	0.3
103.00382	2.0
107.01402	1.5
113.02444	23.4
114.02789	0.4
115.00365	0.9
115.51028	0.3
117.01929	1.3
117.03465	2.6
119.05000	0.3
121.02914	0.4
129.01947	0.8
135.04523	0.6
137.02437	0.5
149.02443	2.0
151.00363	1.6
157.01523	0.3
159.04510	1.7
161.02399	1.1
161.04478	0.4
169.06674	0.3
173.04549	1.4
173.05942	0.3
175.02455	13.9
179.03375	0.5
180.02179	0.3
181.06621	0.4
183.04477	0.8
191.05579	1.9
196.05197	0.5
197.06033	0.6
201.05557	0.6
209.11835	0.5
224.04721	0.3
225.05569	1.3
227.03468	0.6
268.03720	3.3
269.04526	100.0
270.04858	5.6
283.06015	0.7
285.03900	0.5
296.02661	0.3
297.60391	0.3
306.30997	0.3
311.05585	1.4
336.61761	0.3
366.86670	0.3
431.09781	4.6
432.10129	0.4
445.07721	34.0
446.08099	2.7
588.69885	0.3
598.14294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	1.4
69.48875	2.8
69.49292	3.1
71.01013	1.5
71.01381	20.2
72.99280	2.0
73.02940	3.8
78.30817	0.7
83.01375	2.2
85.02927	5.2
85.10173	0.7
87.00869	7.3
89.02444	24.6
95.01369	1.2
96.96017	5.0
101.02445	16.1
109.02936	0.8
113.02451	10.3
116.92838	1.5
119.03502	6.2
125.02435	4.4
131.03482	3.7
131.04456	0.9
143.03490	3.0
153.92075	0.7
161.04596	4.8
173.04509	1.4
179.05585	10.0
191.05612	2.2
203.05598	1.1
209.11768	1.1
221.06598	3.3
235.08116	2.4
253.09181	1.6
255.62784	0.8
275.29303	0.9
277.21698	9.6
379.12277	2.4
383.11682	1.8
389.27997	1.0
397.13458	7.5
415.14429	2.5
439.14407	1.3
485.15009	2.4
559.18756	100.0
560.19116	8.8
577.19769	29.0
578.20038	2.7
596.01331	1.1
837.41101	19.4
838.41321	3.8
849.44751	1.1
873.38788	33.1
874.39069	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	871.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98857	0.9
62.85797	0.3
69.03501	1.1
71.01376	2.7
71.05022	1.7
71.10498	0.8
71.49370	0.3
73.02972	0.7
79.05563	0.3
80.02735	0.7
80.96545	0.8
81.03458	1.5
83.05024	3.9
84.02238	1.2
85.03004	1.4
85.06637	0.5
87.50411	0.3
89.02486	0.7
93.03516	0.5
95.05026	2.4
96.96013	5.1
96.96577	0.4
97.02988	0.7
97.06586	3.4
98.03771	0.5
98.95570	0.3
99.04527	0.7
99.08206	1.3
101.02481	0.8
106.04284	0.5
109.02989	0.3
109.06580	1.8
110.03738	0.3
111.04566	1.1
111.08204	1.4
112.05321	0.4
113.02478	0.5
113.06154	0.4
113.09760	0.4
115.07706	0.9
119.05045	0.4
121.03007	0.7
121.06651	0.5
123.04572	0.8
123.08158	1.9
125.06123	0.5
125.09694	2.6
127.07655	5.7
127.11331	0.5
135.08160	2.0
137.02527	0.3
137.09778	1.2
139.07651	1.5
141.09259	1.0
141.12849	0.4
149.39288	0.3
151.11349	0.7
153.09221	4.3
155.10818	1.1
155.68658	0.3
163.11295	2.7
165.09161	0.4
165.12889	1.1
167.10806	0.4
169.12415	0.4
171.10272	10.7
171.11673	0.7
172.10617	0.4
173.04549	0.7
177.12802	0.5
178.10077	1.1
179.10765	0.4
181.12398	1.0
185.11832	7.3
186.12256	0.5
186.35216	0.3
191.05687	0.8
191.10857	1.0
191.14479	1.4
193.12387	0.9
195.13936	0.4
197.11836	10.7
198.12166	0.7
199.13388	0.9
201.11284	1.8
203.14424	0.3
207.10274	0.9
209.11830	33.0
210.12204	1.4
211.13414	2.7
212.13670	0.4
219.13835	0.4
221.11864	0.5
225.11324	0.7
227.12881	1.2
235.13446	0.7
236.10570	0.7
237.11378	0.4
237.14995	2.6
238.12119	2.1
239.12909	0.4
239.16516	0.4
245.19078	2.2
249.15018	1.9
253.09264	4.3
253.18153	0.5
256.13184	1.2
263.20215	0.7
265.18069	0.7
267.16141	0.5
271.17035	0.3
279.19717	0.5
281.21231	0.4
289.18079	7.2
290.18439	0.6
291.19666	2.0
307.19153	46.1
308.19424	2.4
309.20685	7.7
309.24200	0.5
310.21158	0.7
320.48026	0.4
325.20190	100.0
326.20511	6.8
374.52191	0.3
465.02554	0.4
545.29388	1.0
603.11285	0.4
871.41742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.5
69.03452	0.7
71.01388	1.3
71.05031	0.7
73.02956	0.7
73.30004	0.3
77.42347	0.3
80.02681	0.8
83.05030	1.0
84.02212	0.3
85.02958	1.1
87.04520	0.5
89.02464	0.4
93.03531	0.4
95.05048	0.3
96.96033	1.6
97.02915	0.4
97.06572	1.9
98.03736	0.6
101.02496	0.4
104.01044	0.3
108.02154	0.3
109.06609	2.0
110.03726	0.3
111.08158	9.7
111.55231	0.2
121.02936	1.6
121.06593	0.3
123.04524	0.4
123.08169	1.9
125.06068	0.8
125.09726	13.5
127.10368	0.3
127.11299	5.5
135.04510	1.0
135.08168	1.2
137.09734	4.7
139.11301	1.4
141.09261	1.4
141.12808	0.3
143.10783	0.5
151.07661	0.6
151.11270	2.5
153.09219	2.5
155.10759	2.6
157.12366	0.4
164.08406	1.5
165.01930	1.1
165.09196	2.4
167.10765	0.7
169.08662	0.3
169.12361	0.7
171.10268	8.7
177.09233	0.6
177.12782	0.3
183.10269	1.2
183.13902	0.3
185.11780	0.4
189.09212	0.4
191.05624	0.8
195.10271	2.6
197.11824	2.9
199.07990	0.3
199.09708	1.5
199.13432	0.6
201.11322	40.9
202.11632	1.2
207.10242	0.4
209.11830	1.0
211.13408	2.2
213.11319	27.6
214.11667	1.2
227.12904	1.1
235.13399	0.6
237.14995	1.3
245.19060	1.5
250.12128	0.7
253.09230	1.0
263.20090	0.4
271.17075	0.6
279.19763	0.4
289.18091	10.4
290.18430	0.7
291.19598	0.3
307.19153	21.9
308.19504	1.9
309.20740	1.1
325.20181	100.0
326.20523	7.8
327.21277	0.3
340.27921	0.3
584.41431	0.3
624.15381	0.3
825.94495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03498	1.0
71.01378	16.1
71.56216	1.4
72.99290	1.0
73.02940	2.8
74.28842	0.8
80.96497	1.1
81.03469	0.8
83.01409	2.2
84.74932	0.9
85.02942	3.2
87.00850	2.0
89.02445	15.4
95.01368	1.4
97.02959	1.6
98.20324	1.1
99.00875	1.5
100.87938	1.0
101.02444	12.6
111.08120	1.0
112.21145	1.0
113.02431	6.2
119.03466	1.8
125.02428	3.2
143.03487	1.0
165.12843	6.0
183.13889	43.2
184.14293	1.8
209.11861	1.2
214.59245	1.1
227.12778	2.7
235.08183	1.2
255.23270	53.9
256.23621	3.8
309.10339	1.0
397.13416	6.0
607.26056	1.2
653.37598	1.2
863.50006	100.0
864.50385	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.7
63.96217	1.2
69.03457	1.1
69.21619	1.8
69.22020	5.6
70.83776	0.8
71.01378	10.4
73.02927	2.2
78.98589	8.5
79.95729	20.4
80.96513	94.8
82.96058	1.4
85.02943	4.1
87.00865	2.6
94.98083	21.7
96.95960	1.0
97.02943	1.8
99.00854	1.1
101.02423	3.4
101.57741	0.8
106.98067	3.6
113.02424	1.1
122.97585	4.9
125.02412	4.0
134.97586	8.5
136.99100	1.9
148.99091	8.1
152.98616	8.7
164.98622	15.7
188.98706	1.0
206.99615	4.0
225.00726	29.0
255.23169	2.0
458.56247	1.1
537.27417	2.6
609.25739	2.2
658.39520	0.9
771.25873	0.9
865.49725	100.0
866.50293	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	863.261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01697	0.3
63.02387	0.9
65.00316	0.8
67.01871	0.3
68.99805	0.3
69.28516	1.5
69.28920	0.3
71.01376	5.6
72.99294	0.7
73.02939	0.9
75.00867	2.3
76.69907	0.2
83.01369	0.5
84.02135	0.3
84.30695	0.2
85.02946	12.4
86.03253	0.3
87.00880	1.9
89.02448	1.5
89.02911	0.3
93.03450	0.4
95.01383	4.0
99.00867	3.9
101.02434	0.7
103.00356	1.8
107.01385	1.6
111.00842	0.4
113.02447	23.7
114.02783	0.4
115.00339	0.7
117.01978	1.1
117.03439	3.4
119.03490	0.2
126.04987	0.2
129.01906	0.9
131.03465	0.3
135.04523	0.2
149.02455	1.4
151.00365	1.4
157.01375	0.3
159.04469	0.8
161.02390	0.8
161.04556	0.4
169.06548	0.5
175.02469	13.7
176.02704	0.3
181.06551	0.4
183.04434	0.8
185.47452	0.2
197.06058	0.5
199.03822	0.2
201.05482	0.4
224.04773	0.3
225.05556	1.7
227.03458	0.6
253.05316	0.3
265.92001	0.2
269.04529	100.0
270.04861	5.9
277.87741	0.2
315.80927	0.2
331.17477	0.4
373.18628	1.9
427.06601	0.2
445.07745	31.2
446.07993	3.4
618.25592	0.2
638.99512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99292	0.6
64.29160	0.1
65.03967	0.2
67.01888	3.9
69.03454	0.8
69.22194	1.3
71.01379	2.7
76.05959	0.1
77.06275	0.1
81.03453	0.9
83.01374	0.2
83.05023	1.0
84.07551	0.1
85.02944	2.1
87.00877	1.0
90.57829	0.1
93.03455	25.4
94.03810	0.5
95.01385	0.2
97.02946	0.2
98.19876	0.3
99.00883	0.3
99.04523	0.5
109.02931	0.8
111.00871	0.9
111.04519	4.7
113.02486	0.3
115.00346	0.1
115.04008	0.1
117.03484	0.3
119.05022	17.4
120.05362	0.5
127.03997	0.8
137.02444	3.8
145.02954	0.6
155.03497	3.9
163.03998	14.1
164.04366	0.5
173.04535	100.0
174.04872	3.2
175.04973	0.2
191.05605	21.0
192.05984	0.6
337.09253	52.0
338.09579	3.7
505.23862	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01711	7.8
67.48810	1.5
69.03449	2.0
69.51443	1.4
69.87088	3.4
69.87476	3.5
71.01376	93.5
72.01693	1.3
72.99296	3.7
73.02940	35.3
75.00871	5.0
76.01836	1.3
81.02215	1.9
83.01387	20.2
85.02953	43.6
87.00879	7.4
89.02428	6.1
93.03447	1.9
95.01390	5.6
96.96009	4.6
97.02951	2.6
99.00880	17.2
101.02438	81.6
111.00877	42.2
111.01507	1.0
111.01643	1.8
113.02444	41.2
125.02453	2.4
129.01930	7.7
131.03525	1.8
135.04521	2.6
138.01958	1.6
141.01939	12.4
143.03476	3.7
153.09180	6.4
154.09511	2.3
159.02986	37.6
161.04538	41.7
170.01085	1.5
173.04532	2.0
191.05566	7.9
205.03493	1.4
205.12280	2.9
223.13301	2.9
238.18074	1.9
251.09267	2.2
255.19569	3.0
269.10281	97.7
270.10629	5.2
285.20544	1.5
294.20700	18.5
305.39734	1.6
306.20670	2.7
311.11343	100.0
312.11566	7.3
312.21738	4.9
324.21735	2.0
344.24393	93.7
345.24521	8.7
355.10361	4.0
367.17590	2.2
427.19839	5.4
428.20132	2.9
429.21100	2.3
602.14813	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	857.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01717	0.8
64.26910	0.5
69.03455	0.9
69.54294	0.5
69.56111	1.9
69.56515	1.1
71.01378	26.3
72.99300	0.5
73.02941	17.1
75.00882	0.6
83.01390	5.5
85.02953	6.1
87.00877	1.5
89.02444	5.5
93.03473	0.7
95.01389	1.9
95.05009	1.4
96.96007	0.5
97.02933	3.6
98.51690	0.5
99.00888	1.5
101.02439	14.8
105.07091	1.1
107.04993	0.8
108.02141	0.6
108.05801	1.6
109.02917	0.7
109.06595	1.8
111.04491	1.2
113.02443	10.9
113.06070	2.9
119.03508	2.0
122.03738	1.1
123.08178	3.1
124.05315	0.7
125.02457	1.0
125.06088	1.8
126.14809	0.5
131.03470	1.0
133.24892	0.5
136.05270	3.4
137.06052	0.7
138.01973	2.8
138.06859	17.9
139.07666	7.1
143.03496	0.8
149.04564	0.9
149.06093	0.7
151.07645	15.4
152.04791	2.2
152.08424	26.5
153.09204	100.0
154.09554	3.4
161.04547	5.3
161.09758	0.5
163.11296	1.4
165.09201	2.3
167.07137	1.7
173.04507	1.2
179.05600	0.8
179.10916	0.5
179.91185	0.5
187.11275	1.1
190.09964	1.6
191.05629	1.7
203.05608	3.7
205.12321	37.5
206.12630	2.4
221.06604	2.2
223.13373	33.8
224.13779	1.8
285.04309	0.7
367.17578	37.1
368.17877	2.1
385.18680	9.3
386.18878	0.9
427.19693	90.5
428.20041	8.1
471.18799	0.8
471.28943	0.8
755.28339	0.5
790.08850	0.6
817.61334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42823	0.5
69.43227	1.3
71.01382	0.7
73.02929	0.3
76.61054	0.2
81.03462	0.5
83.01386	0.2
83.05009	0.6
84.53905	0.2
85.02946	1.0
87.00891	0.3
89.03954	1.7
93.03453	2.7
96.95992	0.5
98.34708	0.2
103.61743	0.2
106.04237	0.2
109.02979	0.2
111.04509	2.1
117.02644	0.5
117.03457	8.5
117.04282	0.4
118.03854	0.4
119.05000	0.7
127.04061	0.5
129.01987	0.3
134.03729	86.0
135.04016	2.5
137.02441	0.7
149.06073	6.9
155.03487	2.5
163.04022	0.5
173.04532	5.4
178.02699	0.6
191.05579	5.7
193.05029	100.0
194.05365	3.8
321.15411	0.3
354.93344	0.2
367.10291	51.8
368.10599	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	855.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01725	1.7
61.98812	1.9
67.01880	3.0
69.03445	5.4
69.51833	9.1
71.01375	100.0
72.01709	1.6
72.99290	7.0
73.02941	27.9
75.00862	2.2
83.01376	14.6
85.02943	47.4
87.00870	10.4
89.01930	2.3
89.02440	30.5
93.03448	5.9
95.01361	12.1
96.95996	9.3
97.02940	5.5
99.00869	7.7
101.02431	45.3
111.00861	4.1
111.04491	2.7
112.01675	1.9
113.02442	55.4
119.03474	11.2
119.04958	1.8
121.06604	3.7
124.01641	4.7
125.02436	13.2
131.03511	1.6
133.02888	3.0
134.03685	3.2
137.02394	2.4
143.03522	8.0
149.04555	2.2
161.04491	8.9
173.04578	11.4
177.01855	3.2
178.02690	1.9
179.05562	2.5
191.05585	12.6
201.14886	6.7
254.31175	1.5
269.04523	2.2
275.09268	4.0
341.27155	2.1
359.27921	6.4
381.18106	1.6
405.21255	2.4
415.26898	4.8
433.27802	2.5
475.29501	1.9
485.31357	9.4
503.32315	20.3
504.32489	2.1
521.33221	8.5
545.33221	2.7
563.34094	1.8
611.34039	3.1
629.35321	3.6
639.51581	1.6
647.36328	82.8
648.36633	10.3
665.37494	89.1
666.37769	11.8
683.38428	18.0
684.38928	3.3
707.38519	65.9
708.38757	10.6
725.39581	62.5
726.39905	10.8
767.40582	25.3
768.40881	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	847.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
63.96239	2.1
69.03452	0.9
70.57609	0.7
71.01382	8.9
73.02961	2.2
78.98589	7.9
79.95736	17.1
80.96516	86.5
81.03468	0.9
81.95303	0.5
82.96094	0.9
85.02939	2.9
87.00872	3.2
94.98087	17.3
95.01336	0.4
96.96010	1.7
97.02930	2.1
98.19915	0.4
99.00916	0.8
101.02461	2.8
106.98093	3.1
122.97581	5.1
125.02445	4.2
127.03986	1.0
134.97580	5.7
136.99083	2.1
148.99129	6.7
152.98636	6.8
164.98624	12.8
165.98946	0.4
167.00229	0.6
206.99648	2.9
225.00728	21.5
226.00937	0.6
255.23271	1.6
283.04965	0.8
530.01349	0.4
537.27448	1.3
591.24738	1.8
847.48706	100.0
848.49048	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	853.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42676	0.3
70.83060	0.8
71.01389	0.4
78.59871	0.3
83.05038	0.8
85.02949	2.2
87.00892	0.6
93.03452	3.7
109.02980	0.3
111.04525	1.9
119.05022	55.6
120.05363	1.8
124.00731	0.3
127.04018	0.9
135.04514	0.8
145.02974	0.5
155.03477	2.3
163.03999	100.0
164.04329	4.6
173.04539	4.7
191.05597	34.1
192.05959	0.9
197.89212	0.3
337.09253	54.1
338.09644	4.4
687.23914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.6
65.00327	0.6
68.99835	0.2
71.01385	2.8
72.99299	0.3
73.02946	0.2
75.00864	0.6
79.31461	0.2
83.01392	0.5
85.02943	3.6
87.00867	1.0
89.02437	0.3
95.01385	0.6
96.95992	0.2
98.20760	0.3
99.00872	1.4
105.03453	0.3
107.01384	1.6
109.02953	0.5
112.40519	0.2
113.02443	2.3
115.00369	0.3
117.01936	0.4
121.02969	0.5
129.01915	0.2
133.02950	4.8
134.03261	0.3
148.22432	0.2
149.02400	1.4
151.00360	3.3
171.04462	0.3
175.02533	0.4
175.03979	1.7
177.01874	0.2
185.06158	0.4
197.05966	0.3
198.03188	0.4
199.03987	1.6
201.01997	0.6
211.03938	0.3
212.04762	0.2
213.05582	0.5
215.03490	0.4
217.05028	1.2
223.04033	0.2
229.04881	0.2
229.49200	0.2
235.22614	0.2
241.05014	0.9
241.26730	0.2
243.02928	0.4
256.03836	0.2
257.04523	0.5
267.02979	0.3
284.03244	0.5
285.04022	100.0
286.04355	7.7
287.04382	0.2
297.04077	0.5
299.05597	0.2
307.56598	0.2
327.05118	1.3
343.83588	0.2
355.04700	0.2
357.06030	1.1
381.06094	0.3
394.14697	0.2
461.07220	54.3
462.07596	5.7
613.52643	0.2
621.07544	0.2
695.72797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
61.98822	1.4
63.96235	1.5
67.75868	0.7
70.21478	2.3
71.01380	8.0
73.02935	1.9
78.98587	7.0
79.76708	0.6
79.95736	16.1
80.96516	85.2
82.96102	1.6
85.02944	2.9
87.00866	2.6
94.98084	17.7
96.95992	2.0
97.02936	1.9
99.00862	1.0
101.02436	2.3
106.98068	3.8
122.97576	3.8
125.02426	2.8
127.04000	1.2
134.97583	6.3
136.99109	1.8
148.99152	7.2
152.98630	6.5
164.98636	12.8
171.60910	0.7
206.99699	2.8
225.00723	21.1
226.01003	1.3
255.23207	2.2
283.16498	0.7
537.27551	1.8
591.24567	2.4
768.01849	0.7
847.48694	100.0
848.49188	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	847.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
63.02404	0.5
64.20946	0.2
64.38960	0.2
65.00327	0.5
70.10170	0.7
71.01379	2.6
72.99304	0.5
73.02944	0.2
75.00867	0.8
83.01338	0.5
85.02945	3.0
87.00877	1.1
89.02430	0.5
95.01369	0.8
99.00882	1.1
103.00396	0.2
105.03465	0.3
107.01405	1.1
109.02962	0.6
113.02457	2.2
115.00361	0.2
117.01922	0.3
121.02954	0.3
133.02948	4.6
149.02422	1.1
151.00352	3.5
154.32916	0.2
161.11388	0.2
163.11011	0.2
171.04492	0.2
173.04549	0.4
175.02565	0.4
175.03983	1.7
185.06059	0.3
187.06795	0.2
191.05588	0.5
197.06061	0.4
198.03172	0.5
199.04012	2.0
201.01952	0.5
211.03835	0.2
213.05620	0.4
217.05034	0.9
241.05032	0.8
243.02953	0.5
257.04471	0.4
284.03259	0.5
285.04028	100.0
286.04376	6.5
297.04202	0.3
327.05161	1.2
355.04498	0.3
357.06027	0.9
369.06223	0.3
381.06097	0.4
399.06863	0.2
461.07230	57.9
462.07581	5.3
462.13635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47921	4.7
74.16352	0.6
78.95903	28.6
94.35474	0.8
98.25396	0.7
110.98530	36.3
152.99583	3.0
167.01152	6.7
185.02191	49.5
186.02545	1.7
187.02519	0.8
226.57524	0.7
228.64067	0.7
253.21690	14.4
254.22127	1.7
255.23274	100.0
256.23663	6.7
421.23587	44.4
422.23941	6.2
423.25137	46.5
424.25311	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	845.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
61.33190	0.1
61.98833	100.0
67.47442	0.1
70.92376	0.1
71.55942	0.2
71.97423	0.1
78.95911	1.6
80.04042	0.1
96.97005	0.2
102.69450	0.2
128.80542	0.1
129.10358	0.4
131.62907	0.1
152.99585	2.5
153.00809	0.2
155.08272	0.1
171.00694	0.3
176.57878	0.1
191.05727	0.1
199.01990	0.3
207.15115	0.3
242.18813	0.4
259.14783	0.2
277.21753	0.7
278.22079	0.2
279.23297	1.6
280.23764	0.4
295.21454	0.2
330.13339	0.9
330.63547	0.7
381.03714	0.4
636.39935	0.1
644.45435	0.1
782.51837	5.2
783.52332	1.4
845.52087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89287	0.6
61.98839	0.8
65.97863	0.7
69.89572	3.5
78.95898	40.6
87.27953	0.7
98.20009	1.6
98.20589	1.0
99.18277	0.8
110.98527	58.7
137.01987	0.8
152.99570	6.1
167.01149	11.4
185.02187	100.0
186.02539	1.1
253.21707	28.1
254.22087	2.1
263.47415	0.8
290.80396	0.8
305.16577	0.9
329.83466	0.8
421.23590	88.4
422.23807	7.5
742.72327	0.8
773.34833	0.8
825.02148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
60.71656	0.1
60.99306	0.1
67.01894	0.4
69.03445	0.2
69.74623	0.6
71.01387	0.7
72.99290	0.2
73.02950	0.2
75.73031	0.1
81.03448	0.1
83.05021	0.2
85.02946	5.5
85.57367	0.1
87.00862	1.2
93.03453	3.5
94.03764	0.1
96.96000	0.1
98.02415	0.1
98.19891	0.2
99.00835	0.1
99.04507	0.2
101.02438	0.2
109.02959	0.6
111.04516	1.0
113.02439	0.2
113.19740	0.1
114.58454	0.1
117.03400	0.2
119.05013	1.6
127.04010	1.5
137.02441	0.3
143.03456	0.1
145.02908	0.9
151.39525	0.1
155.03514	0.3
163.04001	2.6
164.04292	0.2
166.25990	0.1
171.03006	0.5
173.04530	2.8
191.05600	100.0
192.05940	3.1
193.05931	0.1
206.08328	0.2
213.36412	0.1
241.41968	0.1
249.13313	0.1
290.86987	0.1
337.09259	30.4
338.09576	2.1
388.15350	0.1
506.29089	0.1
517.24756	0.1
632.46576	0.1
660.79431	0.1
677.52386	0.1
683.99323	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.98822	0.7
69.03452	2.3
71.01362	1.1
71.04988	0.6
71.56317	0.6
72.59593	0.4
73.02946	0.5
80.96515	1.2
82.95412	0.5
83.05019	0.8
93.03447	1.2
96.95981	1.9
97.02924	1.2
97.06593	1.1
105.68238	0.5
108.05759	0.7
109.06559	0.6
110.47256	0.6
111.08150	1.7
113.09692	0.6
119.08662	6.5
121.10220	0.8
123.08110	0.5
125.09747	3.2
127.11272	1.9
127.28044	0.5
132.63713	0.5
135.08224	0.8
137.09711	11.5
139.07698	0.6
139.11293	1.2
148.14566	0.5
149.09650	0.7
151.04050	0.5
151.11273	1.0
153.09193	0.9
155.10716	1.7
163.11238	0.5
165.12740	0.7
167.10732	1.8
169.12354	0.7
171.10260	46.3
172.10631	1.2
173.04524	1.2
183.10214	2.2
184.58475	0.5
185.11801	10.5
191.05646	1.0
193.12238	0.6
197.11819	5.4
201.11375	3.3
207.10245	0.8
208.73203	0.5
211.13408	2.4
213.11255	2.8
223.13498	0.5
225.11186	0.7
229.19641	0.8
247.20490	0.8
251.16437	1.0
253.09233	0.8
273.18539	5.1
279.08429	0.5
291.19638	20.3
292.20074	1.7
293.21182	2.9
309.20685	100.0
310.21057	6.7
839.50580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	1.0
60.14116	0.9
61.98820	3.3
67.01906	0.9
69.03441	3.3
70.87215	1.8
71.01380	43.6
72.99301	3.6
73.02941	8.9
73.76265	1.0
75.00881	1.6
81.03450	1.4
83.01398	7.8
85.02946	25.1
85.03460	1.2
86.00090	1.7
87.00869	6.0
89.02439	7.8
93.03461	3.5
95.01389	6.9
96.95993	7.3
97.02969	4.2
99.00871	5.3
101.02445	15.9
101.78069	0.9
111.00907	2.2
112.01657	3.1
113.02449	25.7
116.92892	0.9
119.03493	2.3
119.05022	1.6
124.01667	4.5
125.02443	12.5
129.02007	1.3
135.04474	1.1
137.02365	0.9
143.03497	5.7
161.02483	1.0
161.04549	3.3
161.09734	1.0
167.02081	1.2
171.13840	1.6
173.04518	3.8
191.05568	7.8
299.25912	3.0
345.30008	6.6
489.34152	10.8
507.35468	4.9
585.36523	1.1
597.35968	2.6
608.23505	1.1
615.37592	2.0
633.38513	47.4
634.39026	7.7
651.39539	68.4
652.40173	11.6
669.40533	16.2
670.40875	2.5
693.40686	36.4
694.40723	7.2
711.41681	38.6
712.42096	9.0
753.42981	10.9
754.43121	1.5
841.35120	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	839.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98808	0.3
67.01881	1.1
69.03471	0.3
69.17757	1.2
69.18182	1.0
71.01382	0.7
71.05023	0.2
79.95747	0.4
80.96526	0.4
83.05009	0.8
85.02944	0.3
89.02451	0.4
93.03474	0.2
93.07111	0.6
95.05051	0.4
96.04722	0.2
96.96008	6.2
97.06583	1.0
98.16367	0.2
101.02447	0.3
105.35941	0.2
108.53611	0.2
109.06579	0.4
111.08140	1.1
113.02476	0.2
113.66547	0.2
113.78191	0.2
119.03533	0.2
119.93414	0.2
121.10229	6.2
122.10590	0.3
123.08157	0.7
125.09715	5.7
137.09700	1.6
139.11220	0.2
141.12852	0.6
147.08124	0.4
151.11320	0.3
155.10782	0.3
161.04590	0.3
163.11287	0.4
165.12878	0.4
167.10796	0.5
167.14354	1.0
171.10252	6.2
177.12831	0.4
179.05519	0.2
179.10762	0.6
179.14491	0.3
185.11813	9.8
186.12169	0.6
191.05519	0.2
195.13896	1.9
197.11806	2.5
208.83685	0.2
209.11870	1.3
211.13377	53.0
211.84325	0.2
212.13737	3.0
221.11789	0.8
223.13414	0.9
225.11325	0.2
245.19101	0.5
247.13429	0.5
247.20695	1.1
251.16428	0.3
253.09283	5.7
254.09747	0.4
256.39700	0.2
273.18594	1.0
275.20145	0.5
289.18130	1.8
290.18442	1.6
291.19641	100.0
292.19986	7.8
293.21213	9.5
294.21732	1.1
307.19180	1.8
308.19412	1.3
309.20685	22.9
310.21008	1.5
529.30493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
61.98821	1.9
64.50205	0.6
69.62511	0.6
69.64099	0.5
69.81143	2.9
71.01382	2.1
71.05017	11.3
78.95885	0.6
79.95729	2.0
80.96509	2.3
83.05026	1.2
85.02968	0.8
87.00875	0.8
89.02433	1.2
93.03449	0.6
95.05003	0.9
96.96009	41.8
97.01801	0.6
97.06597	3.9
101.02431	1.9
107.05006	0.9
109.20400	0.6
113.02441	1.9
116.92822	0.7
121.10242	2.0
123.08131	0.9
125.09710	2.8
137.09714	11.5
161.04515	0.7
163.47983	0.7
171.10269	33.1
172.10583	0.9
173.04510	1.0
184.52048	0.5
185.11877	5.3
191.05606	2.1
195.13882	3.8
197.11861	0.8
201.57114	0.6
207.10240	0.6
207.13861	1.2
209.11835	2.0
211.13377	1.6
221.15559	0.9
223.13425	2.1
225.15007	0.7
233.15540	1.3
235.17027	2.5
237.14944	1.8
246.19565	0.8
247.20758	0.8
251.16501	11.2
252.16895	0.8
253.09283	22.1
254.09543	0.9
273.18420	1.5
275.20135	3.1
276.25931	0.6
289.18164	3.2
290.18469	2.9
291.19650	28.9
292.20016	2.2
293.21222	39.3
294.21484	2.9
307.19162	1.7
308.19522	1.0
309.20697	100.0
310.21024	8.2
323.33838	0.6
529.30066	2.1
736.12537	0.6
839.50067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.2
61.98805	0.6
69.03453	2.0
70.83989	1.0
71.01404	0.6
71.05017	0.9
73.25327	0.3
74.87970	0.3
78.47120	0.3
79.95756	0.4
80.96507	0.6
81.03452	0.5
82.95393	0.4
83.05000	1.4
85.02932	0.7
85.06551	0.5
90.45634	0.3
90.60015	0.4
95.05022	0.4
96.96009	1.9
97.02345	0.5
97.02946	6.7
97.06561	1.2
109.06568	0.9
111.08163	2.5
119.08657	0.5
123.08188	0.4
125.06085	0.5
125.09734	1.1
134.03746	0.5
135.08134	0.4
137.09714	2.0
163.11292	1.9
165.12828	4.0
169.12326	0.6
171.10272	6.5
173.04541	1.2
177.12784	0.3
179.14378	0.9
181.12308	1.3
183.13887	1.4
187.74210	0.3
191.05634	1.0
193.12350	1.8
193.15933	0.7
195.13898	2.7
196.14165	0.6
197.11813	6.4
207.10220	0.6
209.11890	2.2
209.15396	0.5
211.13361	2.9
217.15895	0.6
221.15465	1.9
223.13383	2.2
225.11293	0.7
227.12860	1.9
235.17102	0.5
239.13029	0.5
247.20630	3.4
253.09189	1.0
263.20129	0.6
273.18607	1.4
275.20120	1.0
282.20029	0.3
291.19635	34.7
292.19952	2.5
293.21210	2.6
298.69034	0.4
309.20682	100.0
310.11154	0.3
310.21042	8.2
396.06256	0.4
870.55554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01686	0.9
61.98817	1.8
69.03451	2.2
69.89693	3.5
71.01378	51.6
72.99315	4.0
73.02945	13.3
80.26731	0.9
81.03461	1.6
83.01383	7.6
85.02947	27.2
87.00877	7.4
89.02439	16.5
89.02943	1.2
93.03481	1.7
95.01392	6.4
96.96006	10.5
96.96603	0.8
97.02945	4.9
98.95564	0.8
99.00867	4.1
101.02441	26.2
111.00899	2.0
112.01671	1.3
113.02447	30.9
115.00386	0.8
119.03493	6.9
119.04967	1.1
122.42417	0.8
124.01681	2.7
125.02443	11.5
129.01942	1.6
131.03491	0.8
134.03806	1.2
139.04016	1.3
141.01956	0.7
142.02774	0.8
143.03491	4.5
149.04594	0.9
157.12448	0.9
159.03069	1.2
161.04552	5.6
163.03966	0.9
168.96083	0.8
169.12369	0.8
171.13858	1.1
173.04585	2.0
179.05748	1.5
191.05624	5.3
209.11871	0.8
244.54414	0.7
257.53632	0.8
273.78830	0.7
310.53122	0.9
325.27643	0.9
343.28397	1.6
469.32388	0.9
487.32831	9.4
488.33694	1.1
505.34073	4.2
506.33261	1.1
511.32901	1.4
529.33887	1.8
595.35272	1.3
613.35944	2.0
631.36902	42.5
632.37311	6.6
649.37982	66.6
650.38458	7.8
667.39142	14.2
668.39618	1.9
691.39026	33.9
692.39270	6.6
709.40094	46.0
710.40381	6.0
751.41132	11.2
752.42108	1.3
839.39087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
68.99843	0.8
69.03453	2.8
71.01382	45.9
71.05013	0.8
72.99294	2.1
73.02943	12.6
75.00856	1.2
81.03468	1.3
83.01388	7.1
85.02946	26.0
85.03463	1.3
87.00864	4.8
89.02445	12.8
93.03426	0.8
95.01390	5.9
96.96008	8.8
97.02936	4.4
98.20660	2.3
98.95615	2.5
99.00880	6.1
101.02441	24.6
104.18807	0.9
105.71522	0.8
111.00887	2.9
112.01643	1.2
113.02441	30.8
114.02761	1.1
119.03474	3.9
121.10300	1.2
124.01653	3.9
125.02435	8.9
143.03473	5.4
149.99706	0.7
159.02988	2.0
161.04517	7.3
173.04498	1.7
185.15430	0.8
187.08348	0.9
191.05574	2.5
208.12856	0.9
229.14867	0.8
325.27451	1.4
341.26758	1.0
343.28375	3.3
469.31485	4.2
480.68207	0.8
487.32776	14.4
505.33578	5.6
529.33783	1.6
595.34943	1.5
613.35535	1.9
631.36945	39.3
632.37219	7.1
649.38013	55.1
650.38434	9.9
667.38995	13.8
668.39429	2.5
691.39081	32.0
692.39349	6.5
709.40100	39.5
710.40411	7.6
751.41034	11.0
752.41437	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	837.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.9
59.01376	100.0
59.88808	1.3
61.98816	1.7
69.03451	2.4
69.65400	3.8
69.65805	2.4
71.01379	43.9
72.94093	1.1
72.99294	2.9
73.02949	13.1
79.95748	2.3
83.01398	7.2
85.02944	22.9
86.00102	1.9
87.00862	5.4
89.02454	10.9
93.03454	1.6
95.01377	4.6
96.96007	75.6
97.02934	4.3
98.20641	1.9
99.00871	5.0
101.01788	2.2
101.02430	23.8
103.20084	1.2
111.00849	1.7
113.01709	2.3
113.02447	28.1
119.03503	4.1
124.01626	3.8
125.02438	9.4
135.04523	2.0
143.03510	8.0
143.99847	1.3
159.03000	1.4
161.04593	6.0
164.66339	1.1
173.04492	2.6
179.03436	1.3
181.82851	1.2
191.05611	7.8
207.10280	1.1
209.11794	3.4
241.14374	1.3
243.87218	1.2
268.63931	1.2
305.24866	1.3
311.25964	2.0
326.06076	1.2
341.26871	3.7
467.29993	3.1
485.31158	11.0
486.32068	3.2
503.32214	7.1
504.32730	1.6
506.20090	1.3
593.32947	2.4
606.52722	1.2
611.34082	2.0
629.35333	32.9
630.35712	6.9
647.36383	58.8
648.36633	11.9
665.37311	17.3
666.37952	2.4
689.37451	23.1
690.38263	2.6
707.38593	33.1
708.38831	6.7
749.39398	7.1
837.40277	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	837.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.8
59.01383	47.7
60.01705	0.4
60.38427	0.3
61.98836	1.6
67.01916	0.3
68.99828	0.7
69.03455	1.8
71.01385	46.4
71.55736	0.6
72.01726	0.6
72.99316	4.4
73.02946	9.6
75.00896	0.8
76.15479	0.3
78.49773	0.3
81.03448	1.7
83.01387	4.8
83.05033	0.5
84.02146	0.4
85.02954	11.1
86.00122	0.6
87.00881	14.9
87.04519	0.7
89.02450	42.2
90.02794	0.5
91.04018	0.5
95.01389	3.3
96.96028	1.5
97.02954	4.4
99.00878	1.6
99.04519	0.5
101.02450	36.0
102.02794	0.6
103.04045	0.4
107.01363	0.4
109.02966	0.8
111.00894	1.0
111.04514	0.7
113.02454	23.5
114.02838	0.4
115.04037	0.7
119.03510	9.5
121.02971	0.5
121.24374	0.3
123.00900	0.4
124.01693	0.9
125.02459	12.4
126.02808	0.3
127.04005	0.5
129.01898	0.4
131.03522	7.2
133.05067	0.8
135.04489	0.5
137.02422	0.5
139.04050	1.0
141.01961	0.4
143.03502	6.6
143.04602	0.3
145.05110	0.4
149.04614	0.6
151.04027	0.6
155.03493	0.3
157.05084	0.5
161.04564	11.5
167.03481	0.7
179.05618	17.7
180.06013	0.4
184.00270	0.3
185.04578	0.4
185.69452	0.3
191.05569	0.5
203.05615	2.5
203.97859	0.3
209.04480	0.5
209.11887	0.5
221.06676	6.9
235.08223	4.7
236.08493	0.3
249.18712	0.3
253.09302	3.0
263.07733	1.9
269.06726	0.3
277.21729	20.6
278.22113	2.0
282.05551	0.3
287.07712	0.4
305.08859	0.8
307.19308	0.6
323.09851	2.2
341.10886	0.7
365.10864	1.2
379.12488	5.3
383.11896	3.0
397.13501	14.6
398.13577	0.9
415.14548	6.3
425.12790	0.8
439.14847	2.1
443.30042	0.4
449.12933	0.8
467.14050	0.9
485.15005	2.7
523.16516	0.5
541.17841	0.8
559.18787	100.0
560.19153	11.0
560.28027	0.6
577.19855	36.2
578.20215	3.5
659.24896	0.5
837.41040	3.6
838.41193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.9
59.01376	100.0
59.88808	1.3
61.98816	1.7
69.03451	2.4
69.65400	3.8
69.65805	2.4
71.01379	43.9
72.94093	1.1
72.99294	2.9
73.02949	13.1
79.95748	2.3
83.01398	7.2
85.02944	22.9
86.00102	1.9
87.00862	5.4
89.02454	10.9
93.03454	1.6
95.01377	4.6
96.96007	75.6
97.02934	4.3
98.20641	1.9
99.00871	5.0
101.01788	2.2
101.02430	23.8
103.20084	1.2
111.00849	1.7
113.01709	2.3
113.02447	28.1
119.03503	4.1
124.01626	3.8
125.02438	9.4
135.04523	2.0
143.03510	8.0
143.99847	1.3
159.03000	1.4
161.04593	6.0
164.66339	1.1
173.04492	2.6
179.03436	1.3
181.82851	1.2
191.05611	7.8
207.10280	1.1
209.11794	3.4
241.14374	1.3
243.87218	1.2
268.63931	1.2
305.24866	1.3
311.25964	2.0
326.06076	1.2
341.26871	3.7
467.29993	3.1
485.31158	11.0
486.32068	3.2
503.32214	7.1
504.32730	1.6
506.20090	1.3
593.32947	2.4
606.52722	1.2
611.34082	2.0
629.35333	32.9
630.35712	6.9
647.36383	58.8
648.36633	11.9
665.37311	17.3
666.37952	2.4
689.37451	23.1
690.38263	2.6
707.38593	33.1
708.38831	6.7
749.39398	7.1
837.40277	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	833.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01713	1.0
61.98835	16.6
71.01405	3.9
71.55946	1.4
75.95911	0.8
79.95732	0.8
81.65803	0.7
82.66038	0.9
85.02937	1.0
87.00893	1.0
89.02448	3.8
93.03454	1.1
95.05038	3.1
96.96030	5.4
97.02966	1.0
99.00896	1.0
101.02452	2.9
113.02499	1.6
119.03519	1.7
125.02453	1.7
141.01712	44.3
148.53976	0.9
153.01764	1.2
171.10294	2.7
173.04619	1.1
177.82472	0.8
191.05617	2.9
209.11894	2.1
227.13022	0.9
235.08202	1.5
241.01297	1.0
243.04776	1.6
278.11359	6.7
288.25616	0.9
293.21246	16.5
294.21509	1.1
315.19397	7.2
375.21484	2.4
377.28592	0.8
397.13510	8.5
415.14523	7.2
417.26288	1.0
419.11618	1.1
435.27518	3.3
437.12823	20.1
438.13242	1.7
691.35223	4.1
713.33374	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	831.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85875	0.8
61.98822	2.7
63.96235	2.2
69.03449	0.9
71.01372	9.0
71.46832	0.9
72.99298	0.9
73.02934	1.6
78.52328	0.7
78.95908	3.8
78.98602	8.2
79.37014	0.8
79.95734	33.1
80.96515	89.2
85.02930	2.4
87.00876	4.0
94.98085	18.3
96.95992	2.7
97.02952	1.4
101.02419	2.9
106.98094	4.6
122.97569	5.4
125.02417	3.5
126.02566	0.8
127.04004	1.0
131.60562	0.8
134.97591	6.6
136.99088	2.1
141.39937	0.8
142.80168	0.8
148.99138	7.3
152.98611	7.4
156.53790	0.8
164.98613	13.5
174.12785	0.7
206.99660	2.2
225.00732	22.9
235.19812	0.9
241.01125	1.4
255.23366	4.8
277.21671	1.3
283.04932	2.4
296.78699	0.8
341.05466	2.0
355.06903	1.1
537.27545	2.2
549.63086	1.0
575.24744	1.8
581.25433	0.9
669.63000	0.9
696.84222	0.9
831.49310	100.0
832.49554	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	831.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.4
59.01382	100.0
60.01710	2.1
61.98832	1.8
62.11686	0.8
67.01896	1.6
68.92847	0.8
69.03481	2.1
69.66139	2.1
69.66550	4.0
71.01384	47.6
72.99306	2.6
73.02950	57.7
79.59263	0.8
83.01390	21.4
85.02956	8.0
87.00891	3.3
89.02453	9.4
93.03468	8.3
95.01403	2.5
96.96005	6.9
97.02970	1.2
98.19944	0.9
99.00890	1.7
101.02446	61.9
102.02777	1.1
102.75947	0.8
108.02171	1.6
109.02972	1.2
111.04441	1.3
113.01707	1.9
113.02460	20.2
117.03487	0.9
119.03502	6.5
119.04941	1.4
121.02956	2.5
123.04510	1.1
125.02472	2.8
131.03499	6.8
133.02954	5.5
134.03738	1.9
135.04518	3.9
136.01672	12.7
137.02437	3.6
143.03493	5.1
145.02962	8.5
146.03723	3.5
147.04518	1.0
149.04539	9.9
149.69618	0.9
151.00407	4.2
151.04022	12.9
153.01967	1.1
155.03514	2.9
158.91176	0.9
161.02545	7.0
161.04555	18.9
162.03224	35.6
163.03648	1.5
165.05591	1.4
166.02710	15.9
172.47551	1.0
173.04539	9.8
175.02534	1.1
175.03902	1.6
177.01933	3.1
177.05568	24.2
178.02664	1.6
178.05951	1.4
179.03485	2.2
181.05057	13.9
189.05659	0.9
191.03777	1.2
191.05597	6.9
195.06628	1.3
203.05688	2.0
219.06729	1.6
221.06606	2.8
281.76804	1.0
330.82596	1.0
339.10840	2.1
357.13223	1.1
387.14526	9.5
399.13120	1.0
460.40009	1.2
505.42572	1.1
523.63782	0.8
547.19647	17.2
548.20294	1.6
799.30286	5.6
800.31165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
61.98833	0.3
65.85210	0.2
67.01885	0.4
69.03445	0.3
70.88146	0.4
70.88501	0.3
71.01379	1.6
73.02942	0.4
81.03445	0.6
83.01363	0.2
83.05017	0.5
85.02945	11.4
86.03294	0.3
87.00877	2.8
88.98798	0.2
93.03454	4.4
95.01355	0.2
96.96007	0.9
99.00854	0.2
99.04533	0.4
101.02444	0.3
105.35921	0.2
109.02941	0.8
111.04530	1.5
113.02436	1.0
116.60392	0.2
119.04991	0.2
125.02462	0.3
127.04008	2.4
129.68018	0.2
132.53940	0.2
134.03726	0.2
135.04547	0.5
137.02469	0.3
147.04324	0.2
153.01778	0.2
155.03464	0.3
162.03253	0.2
171.02986	0.8
173.04524	2.1
174.04704	0.2
179.03569	0.2
181.04965	0.2
191.05602	100.0
192.05951	3.6
225.05615	0.2
233.02437	0.7
261.01926	0.9
263.03574	0.4
263.06451	0.2
269.04510	1.0
275.09198	0.6
277.01395	0.3
287.07242	0.3
288.04605	0.4
289.01392	0.6
303.03049	0.4
305.00891	8.8
306.01422	1.2
321.04056	0.6
331.06128	0.9
333.00381	6.1
334.01053	1.8
375.08710	0.7
376.09253	0.3
393.49527	0.2
419.07745	0.5
431.07672	6.5
432.08020	0.8
445.07816	0.3
463.10327	25.0
464.10641	2.7
655.16602	0.3
797.19763	0.9
829.21783	4.1
830.21381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
61.98834	0.3
64.02615	0.3
67.01872	0.5
69.03452	0.4
70.30504	1.0
71.01382	2.3
72.99306	0.3
73.02933	0.7
81.03480	0.7
83.05020	0.6
85.02950	12.8
87.00880	2.7
93.03458	4.4
95.01352	0.3
96.08857	0.3
96.96022	1.4
99.04508	0.6
101.02458	0.7
109.02945	1.2
111.04516	1.9
111.17903	0.3
113.02429	0.5
122.57890	0.3
127.04025	2.8
132.91267	0.3
155.03496	0.7
171.03032	0.7
173.04529	2.4
177.01910	0.7
181.05078	0.3
191.05602	100.0
192.05939	3.1
233.02437	0.9
234.03157	0.6
237.67178	0.3
259.04025	0.6
259.07654	0.4
261.01950	1.7
262.02426	0.7
263.03442	0.5
269.04480	1.0
279.02826	0.4
283.02542	0.5
287.03549	0.6
287.07147	1.0
288.04260	4.6
289.01416	1.4
289.04617	0.5
289.08545	0.3
290.02066	0.4
301.05106	0.4
303.02985	2.4
304.03571	0.7
305.00885	10.8
306.01584	3.5
315.06720	0.6
316.07507	1.6
317.08121	2.5
318.08527	0.4
319.02496	1.0
331.06131	3.4
331.72034	0.4
332.06522	0.6
333.00369	10.0
334.01157	7.2
335.01852	1.2
336.02661	0.7
343.06161	0.5
359.05334	0.4
359.09174	0.4
362.00662	1.4
375.08737	3.3
391.12033	1.6
403.08270	0.7
404.09042	0.6
407.11340	0.6
419.07678	5.4
420.08115	0.6
431.07681	11.2
432.08133	1.5
463.10330	67.0
464.04080	0.5
464.10651	8.0
546.26862	0.4
797.19702	0.6
829.21820	9.7
830.22351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51287	0.4
59.01375	5.0
67.01879	0.6
69.03454	0.5
69.51617	0.9
69.52030	1.3
71.01379	1.5
72.24300	0.3
73.02946	1.2
75.00832	0.4
77.82584	0.4
81.03469	0.8
83.04996	0.4
84.10697	0.3
84.60310	0.3
85.02944	11.8
87.00879	2.4
89.02444	0.5
93.03456	5.6
96.96008	0.9
99.04516	0.5
101.02467	0.8
109.02947	1.3
111.04521	1.6
113.02454	0.7
118.32668	0.4
127.03999	2.6
139.43552	0.4
154.08997	0.4
155.03479	0.5
171.02951	1.0
173.04494	1.8
191.05597	100.0
192.05925	3.4
225.69131	0.3
233.02451	1.0
234.03247	0.6
259.04080	0.7
259.07520	0.4
261.01913	1.9
262.02469	0.7
263.03421	0.4
277.01633	0.4
279.02725	0.4
285.04059	0.7
287.03723	0.8
287.07074	0.9
288.04297	4.9
289.01367	1.5
295.44308	0.4
301.05051	0.4
303.03021	2.9
304.03650	0.6
305.00882	11.2
306.01614	3.7
307.02164	0.4
311.05731	0.4
315.06488	0.8
316.07361	1.8
317.08197	2.9
319.02444	1.4
331.06104	4.5
332.06680	0.8
333.00372	12.0
333.04285	0.6
333.07571	0.6
334.01138	7.5
335.01843	1.9
336.02631	1.0
343.05920	0.7
347.09167	0.5
361.07178	0.7
362.00671	1.6
375.08759	2.2
377.17053	0.8
387.08936	0.5
391.11938	2.1
403.08276	0.7
404.09024	0.5
407.11774	0.6
419.07700	5.8
420.08148	0.5
431.07623	11.2
432.08200	1.1
463.10324	73.9
464.10593	8.7
565.57733	0.4
637.15845	0.5
829.22076	6.5
830.21796	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	824.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
60.33939	0.7
61.60905	0.8
61.98850	1.4
62.45156	0.6
67.01898	1.0
67.02550	0.7
69.03455	1.6
71.01398	0.7
71.05024	1.0
72.18288	0.7
72.74689	0.8
78.95911	7.7
80.02701	2.7
81.03474	5.1
83.01393	9.3
83.05014	3.5
83.38364	0.7
93.03490	0.9
95.04998	3.8
96.96023	1.0
97.02939	4.9
97.06584	7.0
106.04279	0.9
109.06617	2.5
111.08192	0.8
119.08685	1.0
121.06635	2.6
123.04537	6.3
123.08166	4.0
125.06143	1.9
125.09731	17.2
125.10623	1.2
129.89175	0.6
135.08173	3.8
136.05296	0.7
137.06081	1.9
137.09731	6.9
141.12914	2.1
142.02765	1.0
149.06068	1.2
149.09714	0.9
151.11317	1.2
152.99623	1.7
153.37915	0.7
161.09743	1.4
162.10472	0.8
163.07637	1.5
163.11295	14.9
164.08342	1.0
165.12888	3.2
167.10789	2.2
168.04340	0.9
171.10294	1.6
173.04619	0.9
175.11249	0.8
177.12875	1.4
179.10706	1.7
181.12311	3.3
185.11827	12.2
189.12730	0.9
191.05592	1.4
191.10770	4.2
191.14418	14.0
197.11795	1.1
207.10245	7.3
207.13771	0.7
209.11826	79.9
210.12196	4.1
211.13365	1.9
217.15907	1.2
225.11313	8.2
226.11877	1.1
227.18108	1.4
242.07977	2.8
245.19087	30.5
246.19398	1.9
247.17024	1.3
261.18423	0.9
263.20166	3.1
271.16998	3.6
277.21722	86.7
278.22025	8.1
287.16547	1.1
289.18097	92.6
290.18402	7.9
307.19144	100.0
308.19537	8.3
488.27432	0.9
502.29404	42.7
503.29657	4.4
594.49048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98831	4.7
69.03463	1.9
71.01385	42.4
71.01780	2.1
71.56128	1.7
72.99299	2.4
73.02950	13.0
73.69129	1.0
75.00913	1.3
82.95412	1.1
83.01381	7.2
85.02958	23.4
87.00879	3.2
89.02449	6.7
89.91776	1.0
93.03414	1.1
95.01391	5.0
96.96020	7.7
97.02953	3.4
99.00890	6.3
99.92583	4.5
100.58645	0.9
101.02452	19.1
111.00896	2.3
112.01712	1.2
113.02460	21.4
116.92867	38.1
116.97251	10.4
117.01933	3.4
117.92869	2.0
119.03497	3.1
124.01657	4.2
125.02448	8.0
125.09633	1.1
129.01920	1.1
141.01955	1.4
143.03494	6.5
152.47177	1.0
159.03012	2.2
161.04501	7.4
171.10190	1.2
173.04529	1.7
191.05623	1.7
194.38385	1.1
263.76614	1.0
284.67545	0.9
289.18311	1.1
309.28055	1.1
327.29031	1.4
390.34192	1.0
453.32245	2.4
471.33267	13.2
472.33487	1.2
489.34470	5.8
513.34460	1.3
579.35504	1.8
615.37543	29.1
616.38507	5.4
633.38562	54.4
634.38879	10.0
651.39679	15.1
652.39868	2.5
675.39587	21.6
676.39233	5.2
693.40625	35.2
694.41211	5.3
735.41669	6.2
736.42273	1.7
811.79059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55083	1.2
58.75421	1.3
59.01378	100.0
61.98825	5.7
65.28635	1.4
69.03457	1.5
71.01380	40.9
72.99315	4.3
73.02943	8.0
74.60595	1.4
77.46053	1.4
83.01386	4.6
85.02950	20.9
87.00874	4.9
89.02446	16.9
95.01398	4.5
96.95983	9.1
97.02940	2.0
99.00868	4.2
101.02438	21.1
111.00864	3.1
111.04447	1.4
113.02447	25.6
119.03493	4.5
124.01616	2.8
125.02428	12.4
129.28830	1.6
131.03499	1.8
137.02484	1.3
143.03488	5.0
161.04532	4.3
162.02202	1.7
173.04532	3.6
189.38770	1.2
191.05614	2.5
209.11819	1.4
255.32034	1.6
453.31876	1.6
471.32770	7.1
489.34265	5.3
501.35214	1.5
615.37329	27.9
616.37518	5.5
633.38495	62.4
634.38684	9.5
651.39783	14.7
652.39691	2.4
675.39545	22.2
676.39746	3.9
678.97357	1.8
693.40607	39.7
694.40961	6.5
735.41638	5.7
736.41748	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
58.00585	1.0
59.01379	100.0
60.01705	0.7
69.03454	1.0
71.01381	42.3
71.56224	0.6
72.01725	0.7
72.99303	1.9
73.02946	59.2
74.03292	0.7
75.00860	0.8
81.03452	0.5
83.01384	17.3
85.02953	5.1
87.00872	2.0
89.02448	10.9
93.03461	1.2
95.01379	1.5
96.96012	2.3
97.02951	1.1
99.00870	0.9
101.02443	53.0
102.02773	1.1
107.63092	0.4
109.24787	0.4
112.35789	0.4
113.02451	16.8
119.03503	8.6
125.02447	2.4
131.03505	5.1
135.04512	0.9
138.01968	2.1
143.02435	0.5
143.03494	7.0
147.02924	0.6
149.04553	15.7
153.09099	0.6
155.03452	1.9
161.04552	26.5
162.04929	1.0
173.04509	1.6
179.03365	0.6
191.05611	4.0
203.05571	3.9
221.06653	16.9
222.06770	0.6
269.10156	0.6
285.00992	0.5
285.04050	8.3
286.04056	0.9
385.18610	0.9
441.94702	0.5
461.07336	4.2
462.07126	0.8
817.58374	0.6
821.34430	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	823.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35327	0.2
59.01371	1.8
60.99290	0.6
65.03934	0.2
65.49519	0.2
67.01888	4.2
67.25032	0.2
69.03448	1.0
71.01377	3.4
71.25350	0.2
71.31615	0.2
71.58116	0.2
72.99287	0.3
73.02947	0.4
81.03452	1.0
83.01379	0.4
83.05038	0.8
85.02944	2.4
87.00863	1.2
93.03455	25.7
94.03783	0.6
96.95996	0.7
99.00883	0.6
99.04485	0.4
101.02429	0.3
109.02935	1.2
111.00877	0.7
111.04525	4.7
113.02422	0.4
117.03455	0.3
119.05023	16.5
120.05350	0.7
127.04007	0.7
129.01942	0.3
132.05792	0.5
133.06564	0.2
137.02438	3.7
145.02934	0.7
147.04515	0.8
155.03493	3.7
163.04005	14.6
164.04346	0.5
173.04536	100.0
174.04869	3.7
175.07558	0.3
177.05559	0.5
189.05467	0.3
191.05602	21.4
192.05919	0.6
201.05481	0.3
205.08632	0.2
209.11731	0.2
219.06544	0.6
221.04518	1.8
257.96143	0.2
263.05621	0.4
267.07501	0.2
298.44708	0.2
337.09256	46.1
338.09628	3.7
423.12866	0.5
485.12885	6.8
486.13214	0.7
631.19452	0.2
754.85400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
58.00600	1.7
59.01379	100.0
60.01725	0.9
60.65475	0.9
61.98823	3.8
67.01910	0.9
67.80061	0.8
69.03458	1.5
70.03553	0.7
70.03896	4.1
71.01382	49.1
72.99322	3.2
73.02950	11.0
73.78802	0.9
78.95889	1.4
83.01382	7.6
85.02950	20.1
87.00874	6.5
87.04517	1.3
89.02442	23.2
93.03452	2.0
95.01386	5.6
96.96009	13.3
97.02943	3.7
99.00876	2.9
101.02447	25.1
111.00883	1.2
113.02450	32.7
114.02731	0.9
119.03477	8.1
124.01648	1.5
125.02446	8.9
125.09749	1.2
131.03474	2.2
135.04521	1.5
139.45889	0.9
143.03511	6.7
149.04572	1.1
161.04556	8.1
171.10326	2.0
173.04536	2.2
179.05611	2.4
191.05594	5.4
209.11763	2.3
211.13414	4.0
233.15494	3.9
235.25937	1.0
265.59167	0.8
329.23294	7.5
397.13605	2.3
403.24908	1.1
467.30115	5.6
485.31403	3.2
519.96564	1.0
548.43567	1.0
575.31635	1.1
593.33398	1.2
611.34412	17.4
612.34631	4.3
629.35400	53.1
630.35840	10.0
636.36963	0.9
647.36554	19.4
648.36920	3.7
671.36395	17.3
672.36792	3.1
689.37531	28.6
690.37756	8.1
731.38330	3.9
801.37775	1.2
802.39246	1.0
819.40277	5.2
820.39990	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	819.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01376	2.4
60.99300	0.4
63.92366	0.3
64.35976	0.3
67.01888	4.1
67.65337	0.3
69.03447	0.8
69.47062	1.8
71.01384	3.8
72.99331	0.3
73.02943	0.9
75.00856	0.4
81.03466	0.8
83.01369	0.3
83.05023	1.0
85.02944	2.5
87.00874	0.7
93.03455	24.4
94.03795	0.6
95.01396	0.8
99.00880	0.7
108.02174	0.3
109.02937	0.8
111.00854	0.8
111.04515	4.7
113.02447	3.4
115.00367	0.3
117.03486	0.5
127.03960	0.6
132.04504	0.6
135.04485	0.6
137.02437	4.5
137.09712	1.6
149.02487	0.3
150.15759	0.3
151.50482	0.3
155.03493	4.9
155.10774	21.2
156.11067	0.7
159.04387	0.3
173.04535	100.0
174.04887	3.6
175.02432	1.6
176.02823	0.2
191.05627	2.2
199.09737	11.3
200.10155	0.5
225.05527	0.4
269.04526	15.6
270.04910	1.3
373.14984	63.4
374.15356	5.9
445.07623	4.1
446.07800	0.8
493.94424	0.3
717.99890	0.3
804.94244	0.3
831.88562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
58.00611	0.8
59.01378	100.0
60.01720	1.2
61.98826	1.4
67.01911	0.8
68.96310	0.8
69.03448	2.5
70.26933	1.4
70.27283	2.2
71.01379	41.1
72.99296	2.3
73.02949	10.9
80.96535	0.8
81.03468	1.1
83.01388	6.8
84.64423	0.8
85.02946	23.1
87.00879	6.7
87.04511	3.2
89.02438	15.1
95.01370	5.4
96.96009	11.5
97.02934	3.7
99.00893	3.8
101.02441	22.3
101.06121	1.5
110.89978	0.8
112.01692	1.3
113.02440	25.8
119.03509	4.2
124.01641	2.7
125.02449	7.8
127.80614	0.8
134.89218	0.9
143.03490	4.9
159.03052	1.7
161.04495	5.6
173.04617	1.1
177.44003	0.9
179.05557	1.2
191.05557	3.4
209.11722	1.3
227.12898	1.4
249.11130	1.4
467.30136	5.9
485.31229	3.8
486.31158	1.3
575.32422	1.7
593.33276	2.8
611.34308	26.6
612.34509	4.7
629.35358	65.6
630.35693	10.0
647.36511	21.1
648.36963	3.5
671.36493	18.0
672.36792	4.6
689.37488	30.7
690.38348	5.5
731.38232	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	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01704	0.8
60.45660	0.5
61.98831	11.3
71.01404	3.2
71.24842	1.3
78.95900	0.9
80.96516	2.7
85.02984	1.0
87.00903	0.8
89.02464	2.1
93.03460	0.7
101.02438	1.8
113.02486	1.1
125.02441	0.9
129.64919	0.5
141.01706	53.1
142.02069	1.2
147.71382	0.5
194.97746	0.6
197.11884	1.3
235.08372	0.9
277.21704	5.0
307.65463	0.6
359.22040	4.3
360.22363	0.8
397.13455	10.2
415.14822	1.6
419.11594	3.1
437.12949	3.6
581.79736	0.6
629.07965	0.6
675.36182	1.4
697.34552	2.3
701.77844	0.8
780.31531	0.6
791.11859	0.6
816.50586	0.9
817.50519	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	817.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00590	2.4
59.01381	100.0
60.01709	0.7
61.98836	1.2
64.18998	0.5
69.03472	1.7
70.91525	0.5
71.01382	48.0
71.55522	0.6
72.99322	2.4
73.02950	24.5
75.00877	0.6
81.03456	0.5
83.01395	8.1
85.02951	15.9
85.03470	1.0
86.03303	0.5
87.00888	3.7
89.02448	25.8
90.02789	0.4
95.01380	4.7
96.96019	2.9
97.02980	1.7
99.00881	1.5
101.02440	30.6
102.61147	0.5
104.85235	0.5
109.31184	0.5
113.02451	40.5
119.03510	10.7
124.01721	1.0
125.02460	3.8
131.03528	3.3
135.04567	0.5
143.03500	6.5
146.41426	0.5
149.04532	3.7
155.03522	1.4
161.04558	15.8
173.04599	1.4
179.05606	9.1
179.06998	0.7
181.11900	0.5
191.05560	2.4
203.05669	1.7
209.11877	2.2
221.06723	1.4
222.83551	0.5
257.71085	0.5
272.32166	0.5
369.19641	0.5
465.28915	1.8
483.29926	1.0
505.34998	0.5
557.33716	0.6
609.32764	4.2
627.33844	23.0
628.33917	3.7
645.35010	8.6
646.35919	1.5
654.35663	0.6
669.34680	4.5
670.35254	1.0
687.35931	9.8
688.36572	1.4
837.22852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
58.00588	1.9
59.01380	100.0
61.98828	3.3
69.03462	1.5
70.77475	2.1
70.77851	0.7
71.01381	51.3
72.99297	3.8
73.02944	15.0
75.00867	0.9
77.81660	0.9
78.95905	0.9
83.01373	5.1
85.02958	18.1
85.81498	0.7
87.00871	3.1
89.02449	24.3
93.03446	1.7
95.01386	5.5
96.96014	13.7
97.02937	1.8
99.00874	2.4
101.02439	27.0
103.52555	0.7
112.01505	0.8
113.02453	40.8
119.03506	9.4
119.04942	0.9
124.01632	1.3
125.02455	3.8
131.03500	3.1
133.02969	1.2
135.04556	1.0
137.02457	0.8
143.03505	6.6
149.04579	2.5
155.03481	1.1
161.04568	14.0
162.04820	0.9
163.03996	1.0
173.04533	3.1
178.02760	0.8
179.05647	7.3
191.05632	8.3
191.96696	0.7
203.05602	0.8
209.11798	2.4
211.13287	0.9
225.11407	1.1
465.28741	4.6
466.29068	1.2
507.29861	1.2
609.32690	9.2
610.32733	1.7
627.33832	30.3
628.34082	4.5
645.35065	9.7
646.35364	1.3
669.34882	10.5
670.34802	2.0
687.35956	17.6
688.36255	2.9
729.36890	2.8
817.36908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.00600	1.7
59.01379	100.0
60.01704	0.6
66.41908	0.5
67.01905	2.4
69.03456	2.5
69.27811	1.9
69.28235	2.6
71.01381	44.3
72.99313	2.4
73.02947	58.9
75.00883	1.0
81.03459	1.4
83.01384	19.3
83.05042	1.1
85.02950	8.0
86.03316	0.5
87.00884	5.3
89.02438	8.1
93.03457	12.9
94.03780	0.7
95.01421	1.5
95.05062	0.8
96.96013	3.0
97.02970	1.1
99.00882	0.8
99.04527	0.7
101.02442	58.6
101.78635	0.5
102.02814	1.1
105.03481	2.8
108.02174	1.2
109.02948	2.8
111.00902	0.7
111.04550	2.5
113.02452	19.5
114.02789	0.9
117.03488	0.8
119.03518	5.3
119.05038	0.8
121.02982	2.6
122.03712	0.6
123.00909	1.1
123.04514	1.4
124.01646	0.8
125.02464	2.2
127.04025	0.8
131.03523	5.1
132.02222	0.8
133.02966	20.7
134.03775	5.1
135.04546	9.4
136.01695	5.0
137.02454	11.9
139.04021	1.4
143.03502	5.9
145.02939	6.4
146.03752	2.4
147.04576	0.8
149.02489	3.6
149.04556	7.7
150.03252	2.0
151.00339	7.6
151.01424	0.9
151.04008	8.4
152.01151	1.0
155.03510	4.6
160.01711	1.0
160.05363	0.6
161.02512	4.7
161.04559	14.0
161.05952	1.0
162.03224	30.8
163.03844	1.3
164.04790	0.7
166.02715	22.0
167.03316	1.3
173.04539	14.4
175.03989	3.9
176.01140	1.9
177.01936	19.5
177.05556	19.3
178.02727	5.6
178.05847	0.7
179.03484	2.7
179.05598	0.7
181.05072	24.0
182.05461	1.1
190.06361	0.8
191.03630	1.7
191.05597	14.6
192.04303	9.5
192.05927	1.3
193.04935	1.3
195.06673	1.5
203.05708	1.9
205.05132	1.0
207.06639	8.2
209.11766	0.9
211.13425	1.4
219.03035	0.7
219.06628	1.1
220.07278	0.7
221.06546	3.2
221.69138	0.6
225.07643	0.8
249.07773	0.8
265.07742	0.8
327.15988	1.0
339.10745	1.1
345.69910	0.5
351.07083	1.4
352.08087	1.2
357.09570	1.0
372.12250	1.0
386.13904	0.9
387.15021	4.4
388.14639	0.5
402.13315	0.8
416.15317	0.7
417.15509	8.1
418.16016	1.0
469.15292	0.6
475.20718	0.9
577.20746	22.0
578.21033	4.4
581.26520	1.3
607.25476	0.7
625.25104	3.4
626.25488	0.9
635.04852	0.6
643.26172	0.7
799.30280	19.7
800.30817	3.9
817.31482	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	815.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01629	0.3
57.03436	0.5
59.01373	1.6
63.96239	2.1
69.03458	0.9
69.26221	2.0
69.26646	1.3
71.01378	9.7
72.99282	0.3
73.02943	2.2
78.98585	8.5
79.95362	0.2
79.95733	16.2
80.96513	95.0
81.03471	0.7
83.01458	0.3
85.02943	3.9
87.00872	3.6
94.98083	21.9
96.96003	1.9
97.02963	1.9
98.20261	1.7
99.00894	0.9
101.02451	3.2
106.98078	3.9
118.51760	0.4
122.97560	3.9
125.02466	3.2
127.03996	1.2
131.16542	0.4
134.69604	0.3
134.97572	6.3
136.99127	2.1
143.03516	0.4
148.99129	8.0
152.98615	6.9
152.99757	0.7
164.98616	14.4
167.00188	0.9
174.50159	0.4
197.03381	0.3
206.99695	3.6
225.00723	20.3
226.00906	0.5
253.65302	0.4
255.23216	1.6
277.21680	1.3
283.05020	0.5
314.44873	0.4
382.53839	0.4
537.27313	1.3
559.25763	1.3
815.49768	100.0
816.50110	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	815.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01382	7.6
63.02425	0.5
65.00338	0.6
67.01900	0.5
69.35242	3.2
71.01389	5.7
72.99310	0.7
73.02958	2.1
75.00877	1.5
81.03435	0.7
83.01371	0.6
83.05014	0.8
85.02951	18.4
87.00887	3.2
89.02449	0.8
93.03463	4.7
95.01367	2.0
96.96018	16.2
97.06604	1.3
98.19835	0.7
99.00896	2.2
101.02452	1.0
103.00369	1.4
107.01408	1.0
109.02946	1.1
111.04488	1.8
113.02454	17.1
115.41977	0.3
117.01958	0.8
117.03451	1.7
117.92738	0.4
125.20465	0.4
127.03983	2.4
129.01939	0.9
129.68271	0.4
135.04521	0.8
149.02461	1.0
151.00400	1.0
155.03540	0.5
159.04480	1.3
161.02496	0.7
171.03008	0.7
173.04529	2.4
173.05864	0.5
175.02478	7.2
181.06636	0.4
181.83394	0.4
183.04552	0.4
191.05611	100.0
192.05925	3.3
201.05591	0.8
225.05565	0.8
229.01448	0.6
233.02446	0.6
235.03897	0.6
251.03709	0.4
261.01865	0.8
268.06354	0.4
269.04544	62.6
270.04892	4.5
279.02982	5.4
280.03647	0.7
305.00925	6.6
306.01190	0.8
315.06787	0.7
331.06161	0.8
333.00430	4.4
333.07605	1.9
333.11331	1.0
343.09766	2.8
377.10291	16.6
378.10471	2.1
405.09790	0.6
431.07755	7.7
432.08270	0.8
445.07742	14.2
446.08029	1.6
449.08765	29.1
450.09061	3.2
527.60974	0.5
623.14124	1.3
640.73254	0.4
641.15320	1.1
815.20325	5.6
816.20874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.9
63.96236	2.1
66.65415	0.6
68.97507	0.5
70.19154	1.4
70.19554	1.1
71.01382	9.0
72.01719	0.7
73.02943	2.5
78.98592	8.9
79.95731	15.6
80.96513	100.0
81.03437	0.8
85.02959	2.7
87.00877	3.5
94.98083	23.7
96.96013	1.8
97.02946	2.6
98.20380	1.3
99.00854	0.8
101.02440	3.5
106.98098	3.7
106.98708	0.6
113.02502	0.7
118.98065	0.6
122.97593	4.7
125.02458	3.9
127.03954	0.9
134.97565	8.2
136.99133	1.3
140.13124	0.6
146.97546	0.8
148.99133	8.3
152.98608	7.7
164.98613	16.0
167.18106	0.6
176.75557	0.7
206.99675	1.9
225.00728	20.8
255.23224	2.0
277.21622	0.8
457.33105	1.5
471.66983	0.7
537.27197	1.5
559.25745	1.9
591.11847	0.7
815.49792	86.8
816.50269	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	815.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58768	0.5
57.66864	0.5
59.01381	3.5
71.01366	2.0
73.02958	0.8
81.03469	0.6
85.02947	11.2
87.00876	2.3
93.03458	5.8
97.06604	3.5
109.02982	0.9
111.04521	1.7
113.02471	0.6
127.03997	2.7
133.02927	0.6
135.04457	0.6
155.03534	0.8
171.03067	0.6
173.04536	4.0
173.05959	1.0
179.05649	0.8
189.05540	0.7
190.58760	0.6
191.05608	100.0
192.05992	4.5
207.04486	2.1
223.03969	0.9
229.01372	0.7
235.03973	0.8
253.86130	0.6
255.40700	0.6
261.01819	1.4
261.09030	0.8
279.02982	20.6
279.06033	1.0
280.03519	2.7
287.03336	0.8
289.01373	0.9
299.05515	1.5
303.03168	1.2
305.00909	6.3
305.11737	1.7
307.06171	1.1
315.06638	1.6
317.08188	0.9
323.12964	1.0
325.14478	1.7
327.05057	6.7
328.05472	1.3
329.05673	0.8
331.06116	2.7
333.00473	5.6
333.07660	5.8
333.11349	2.4
334.00873	1.3
334.08264	0.8
343.09814	3.8
357.06308	2.0
375.08853	2.3
377.10272	56.7
378.10629	6.9
405.09921	2.0
419.18179	0.7
431.07672	17.2
432.07892	2.4
447.09354	6.0
448.09601	1.7
449.08762	55.3
450.09122	6.6
551.85101	0.6
564.90302	0.7
591.02930	0.6
623.14111	2.7
623.23706	2.1
641.14856	3.3
797.18719	1.3
815.20276	13.9
816.20770	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	813.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95054	0.4
59.01374	2.0
61.98823	2.1
63.10573	0.4
66.19592	0.4
67.11565	0.4
69.76543	2.1
71.01360	1.9
72.99313	0.7
76.56473	0.4
80.55586	0.4
85.29809	0.4
89.02432	0.4
90.98404	0.4
93.03481	0.6
96.96009	3.2
98.95612	0.6
99.00873	0.9
109.42989	0.4
113.02445	0.6
117.03468	15.1
118.03791	0.4
119.05030	25.7
119.94706	0.6
120.05370	1.2
121.02945	1.1
124.49419	0.4
130.55128	0.4
133.02919	0.5
145.02954	100.0
146.03279	4.1
150.50731	0.4
163.03999	18.4
164.04375	0.8
171.10181	0.5
173.04535	0.4
191.05627	1.3
269.21161	1.1
287.22284	7.0
288.22745	0.6
341.23505	0.6
415.24869	1.9
430.58688	0.4
433.25885	8.2
434.26364	1.4
457.26529	0.5
609.64075	0.4
711.80304	0.4
727.35474	1.4
769.36469	55.2
770.36835	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	813.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93694	0.5
59.01384	2.0
59.43933	0.4
61.98835	3.0
67.08752	0.4
70.67638	1.4
71.01378	1.7
72.99298	1.0
73.02967	1.0
73.39873	0.5
85.02943	1.3
89.02437	0.9
93.03424	0.8
96.96003	4.9
98.95603	0.9
99.00891	1.6
111.89315	0.5
113.02477	0.5
116.92869	0.7
117.03469	14.4
118.03845	0.5
119.05032	34.7
119.94697	1.5
120.05382	1.7
121.02956	1.7
145.02957	100.0
146.03284	5.0
163.04016	24.8
163.05423	0.8
164.04404	0.6
173.04556	0.5
191.05595	1.7
269.21286	1.5
287.22278	7.4
297.10693	0.5
415.24872	3.7
433.25940	7.6
434.26376	1.5
499.14493	1.2
637.32684	1.0
709.34650	1.3
727.35437	1.3
769.36499	55.7
770.36719	11.4
813.39355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.00599	3.8
59.01381	80.9
60.01719	0.7
61.98831	0.6
68.05870	0.3
69.52281	0.3
71.01383	51.1
71.26915	0.8
72.01733	0.7
72.99312	5.3
73.02956	1.9
80.91245	0.3
82.85381	0.4
83.01397	3.1
85.02958	11.4
87.00881	2.9
89.02446	41.6
89.44023	0.4
90.02817	0.3
90.67396	0.3
93.03458	0.7
93.60299	0.3
95.01396	3.9
96.96014	1.9
97.02935	0.4
99.00862	0.6
101.02444	24.3
102.02795	0.5
113.02453	17.8
114.02771	0.5
119.03505	15.9
125.02448	0.7
131.03484	1.8
134.03688	0.7
135.04501	0.6
143.03459	2.5
149.04558	1.1
154.96718	0.3
161.04588	2.3
161.05823	0.4
171.66452	0.3
173.04567	1.4
179.05621	5.8
190.53772	0.3
191.05602	1.3
192.04288	0.3
193.05020	0.7
268.43884	0.3
313.11627	0.3
385.28467	0.4
433.42932	0.3
470.62918	0.3
551.37170	0.3
555.81891	0.3
587.39508	0.6
647.36743	0.4
665.38049	0.5
811.44849	100.0
812.45203	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98826	0.7
62.71547	0.4
65.58929	0.4
69.44077	0.7
69.44484	1.9
71.01376	0.5
71.02193	0.4
78.95911	4.4
89.56952	0.4
93.03419	0.5
97.06593	0.5
118.45642	0.4
118.46597	0.4
125.06059	0.8
127.07616	0.6
148.09027	0.9
148.26486	0.4
150.10515	1.0
152.99617	1.5
163.11264	1.2
165.12849	21.8
166.13162	1.1
168.04285	0.9
175.11252	0.5
176.12041	0.6
177.12820	0.6
191.05583	0.5
191.14429	0.5
217.16003	0.6
224.06905	0.6
229.19588	0.6
242.07913	1.8
247.20680	10.8
248.20996	1.1
273.18564	5.1
274.18695	0.4
277.21719	60.0
278.22025	5.2
280.96960	0.4
291.19656	100.0
292.20044	8.7
502.29413	37.4
503.29678	4.3
534.06281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.00594	3.8
59.01381	81.7
60.01721	0.7
60.40690	0.4
61.98833	5.6
62.60572	0.4
65.13223	0.4
69.13783	0.3
70.82610	0.7
71.01382	51.3
72.01724	1.1
72.99313	5.6
73.02946	1.2
74.02483	0.5
80.23518	0.4
83.01392	2.9
85.02952	12.1
87.00890	2.4
89.02448	45.0
90.02764	0.5
93.03457	1.2
95.01398	3.9
96.95995	2.8
97.02966	0.5
99.00877	0.7
101.02444	26.7
102.02815	0.4
113.02453	18.1
118.02024	0.4
119.03503	20.3
125.02437	0.7
131.03493	1.7
133.06528	0.4
135.04506	0.6
141.73009	0.4
143.03517	2.5
145.08702	1.1
147.02937	0.4
149.04536	1.4
150.03259	0.7
151.08728	0.4
161.04582	2.6
166.20604	0.4
170.28844	0.3
173.04524	1.6
179.04095	0.7
179.05614	7.2
182.05696	0.3
191.05627	2.7
192.45070	0.4
193.05133	0.5
195.06410	0.5
248.19215	0.5
290.89056	0.4
354.33005	0.4
541.78619	0.4
613.22388	0.8
811.44843	100.0
812.45233	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	807.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
61.98840	0.3
67.01906	0.3
68.67966	0.3
69.64823	1.8
71.01376	1.2
73.02973	0.3
85.02954	0.8
87.00874	0.5
89.02478	0.3
89.19953	0.3
93.03455	3.5
95.05043	0.7
96.96014	4.8
97.64607	0.3
98.95635	0.4
101.02404	0.5
106.04237	0.8
108.02197	0.6
109.02924	0.3
109.06588	3.4
119.05027	16.2
120.05304	0.6
121.02959	1.5
121.06623	0.4
122.03750	3.7
123.04513	0.3
124.57111	0.3
132.05756	0.4
133.02943	0.4
133.24750	0.3
134.03693	0.4
135.04529	4.6
136.05319	2.6
147.04564	0.7
148.05298	0.3
149.06071	7.3
151.00345	0.3
161.06075	0.4
161.13382	0.4
173.04550	1.8
189.09210	0.8
191.05617	2.7
191.10837	0.7
201.09236	0.7
203.10803	0.7
205.12303	0.7
209.11757	0.6
211.13615	0.3
243.10262	6.3
244.10603	0.4
248.76662	0.3
255.10258	1.5
267.17587	0.4
311.16516	100.0
312.16867	10.0
335.16547	0.7
346.10263	0.3
351.16064	0.3
353.17664	0.5
365.17557	0.6
377.17331	0.4
437.19473	0.5
449.14450	0.7
455.20758	7.8
456.21069	1.1
473.21710	4.1
474.21960	0.5
497.21841	3.7
498.22052	0.4
515.22845	22.0
516.23138	3.4
532.44086	0.3
557.23969	3.0
558.24200	0.4
599.24585	0.6
659.27051	1.4
677.28516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
57.03675	0.1
59.01377	1.9
61.98824	0.2
69.03442	0.2
71.01370	0.6
71.05016	7.7
79.17056	0.1
79.95747	0.2
80.96509	0.6
83.05026	0.5
91.20983	0.2
95.05013	0.5
97.06584	2.6
98.19814	0.3
101.02409	0.3
107.05035	0.2
109.06535	0.4
111.08151	4.4
113.09685	0.2
121.06549	0.2
123.08141	0.3
133.06557	0.2
135.11797	0.2
137.09729	0.7
137.26546	0.1
139.11267	0.2
141.09225	0.2
149.09721	0.2
151.56519	0.2
155.10785	0.2
163.14864	0.2
165.12906	0.2
167.10771	1.1
175.14951	0.2
177.12814	1.0
179.10756	0.8
179.14407	0.2
181.12317	0.8
188.42300	0.2
189.13029	0.3
193.15955	0.2
195.13878	2.9
196.14133	0.2
197.11906	0.3
203.14328	0.2
207.13849	0.8
217.15947	0.2
219.13857	1.0
232.77347	0.2
235.16992	1.2
236.17368	0.2
247.20673	1.6
253.09282	1.1
273.18607	1.2
277.21707	6.2
278.22028	0.5
291.19626	100.0
292.19962	8.5
502.16437	0.2
602.18689	0.2
805.40277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01364	0.8
61.98803	0.4
63.01300	0.3
69.03476	0.3
71.01375	1.1
71.56455	0.3
72.29426	0.2
78.95880	0.2
78.98583	0.3
79.95747	0.5
80.96515	3.1
81.34483	0.2
83.05050	0.3
89.53822	0.2
93.07067	0.5
94.98071	1.0
97.06580	0.7
101.02411	0.5
107.08646	1.0
121.09366	0.4
121.10226	6.2
122.97541	0.3
123.08121	0.7
125.09721	4.2
139.11269	1.1
141.12819	0.7
147.08096	0.3
153.12717	0.3
163.11229	0.3
164.98656	0.4
165.12741	0.3
169.74734	0.3
177.12790	0.2
185.11803	7.9
197.11781	1.4
199.13342	0.8
209.11882	1.2
211.13326	1.3
220.82681	0.3
223.13310	1.0
225.00757	0.8
229.19582	0.4
247.13382	0.4
247.20613	0.7
253.09279	2.1
263.20096	1.3
271.45407	0.3
273.18631	1.3
277.21683	14.6
278.22018	1.2
289.18100	0.4
291.19623	100.0
292.19971	9.1
386.20435	0.3
414.21442	0.3
677.23999	0.3
805.40399	3.6
806.39911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98833	0.1
71.01382	0.2
71.55448	0.1
71.55865	0.1
78.29244	0.1
78.95896	0.3
79.95733	3.5
85.02925	0.1
89.02516	0.1
93.03494	0.1
96.96009	100.0
97.95950	0.3
98.95616	0.1
107.74973	0.1
171.10301	0.1
173.04539	0.2
183.13976	0.1
191.05582	0.3
205.14830	0.1
209.11896	0.2
224.42424	0.1
306.17886	0.1
415.14468	0.1
453.09192	0.2
487.52039	0.1
745.35315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01373	1.5
66.07764	0.3
69.76524	1.3
69.81799	0.3
71.01372	1.5
73.02957	1.8
78.95907	1.2
81.03480	0.4
83.05022	1.1
85.02940	1.8
87.00870	0.5
93.03450	5.1
96.96011	0.7
109.02991	0.6
111.04500	4.5
117.03448	1.2
119.00520	0.4
119.04991	1.8
121.02934	0.4
125.02423	0.5
127.03960	0.8
133.02946	0.8
134.03740	1.1
135.04483	1.1
135.08127	0.9
137.02419	1.3
137.09697	5.7
155.03485	4.4
155.10768	100.0
156.11131	3.8
159.04477	0.5
163.03951	1.3
171.00630	0.6
173.04541	13.5
173.06053	0.7
174.04932	0.8
177.01926	0.4
178.02687	1.3
181.08661	0.4
191.05595	12.1
199.09741	52.1
200.10077	2.5
241.63631	0.4
253.08632	1.7
269.04337	0.4
283.06082	4.3
285.04016	5.9
286.04379	0.7
311.05618	7.2
312.05914	0.5
341.06674	0.7
372.15930	0.6
373.14975	86.6
374.15289	7.7
431.09772	4.7
432.10010	0.5
439.13922	1.9
447.09372	0.4
457.14877	1.3
461.07233	3.7
613.18872	0.8
631.20251	0.7
787.24542	1.1
805.25610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.8
61.98829	2.6
67.01895	0.9
69.52927	0.7
71.01374	2.0
71.56381	0.9
75.53912	0.7
79.95736	3.3
83.37250	0.7
83.97849	0.6
85.02956	2.2
88.55293	0.8
88.98834	1.2
89.02457	1.2
91.05540	1.7
92.67530	0.8
93.03463	4.0
96.96014	63.7
98.95592	1.6
101.02415	1.2
104.90173	0.8
109.03008	0.9
113.02457	1.2
121.02962	71.5
122.03300	2.2
132.05811	16.4
133.06062	0.8
135.04524	23.0
161.09741	2.2
164.04797	13.9
173.04543	5.6
187.11284	100.0
188.11617	6.4
191.05643	6.4
209.11858	1.7
257.07990	0.8
296.40387	0.8
309.14954	42.4
310.15329	3.2
395.22760	1.0
433.84805	0.8
445.75809	0.8
453.19296	5.2
471.20126	4.0
495.20169	2.4
513.21271	32.3
514.21381	4.1
555.22260	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	803.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98583	0.1
61.98840	1.2
63.98482	0.1
71.01381	0.2
78.95914	0.5
79.95737	3.7
85.02931	0.1
90.00846	0.1
93.03455	0.2
94.92484	0.1
94.98141	0.1
96.96014	100.0
97.95944	0.5
171.10350	0.1
173.04535	0.2
191.05634	0.4
196.13031	0.1
209.11897	0.1
211.13280	0.1
248.62024	0.1
345.13901	0.2
397.13541	0.1
412.24750	0.1
427.24719	0.1
453.09412	0.1
582.84283	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
65.00311	0.3
69.21405	1.8
69.21827	1.0
71.01379	0.9
73.02934	0.5
77.03970	0.4
79.01900	0.5
83.01379	0.8
85.02945	0.9
89.02428	0.3
93.03419	1.2
93.97512	0.3
96.07060	0.3
96.96006	1.0
97.02925	0.6
98.19857	0.6
101.02422	0.3
105.03460	0.4
107.01402	0.4
109.02957	2.0
111.04517	0.4
111.31386	0.3
113.02451	0.3
119.05033	0.8
121.02946	1.0
123.00887	0.3
125.02404	0.8
127.04004	0.3
133.02946	11.3
134.03253	0.3
135.00874	0.4
135.04515	1.6
137.02498	0.4
144.94566	0.3
147.04485	1.3
149.02373	1.7
151.00340	0.6
161.02431	1.4
163.00388	1.8
163.04005	3.1
165.01927	1.7
173.02335	0.7
173.04570	1.6
175.03973	2.5
176.04308	0.4
177.01927	0.8
179.03503	0.8
185.05968	0.4
187.03990	0.4
191.03510	2.1
191.05583	4.6
193.01372	1.5
198.03146	0.5
199.04024	1.3
201.01997	1.4
203.03455	0.3
209.05995	0.3
211.04005	0.5
211.07565	0.3
212.04663	0.5
213.05530	1.1
215.03438	0.8
219.02924	0.6
225.05542	0.9
227.07101	0.6
229.01445	0.4
237.05519	0.4
240.04248	0.9
241.04968	0.8
251.07021	0.3
253.05087	1.0
255.02840	0.6
255.06642	0.9
256.03751	0.6
257.04410	0.8
269.04517	1.1
281.04520	0.5
283.06064	0.5
284.03232	8.7
285.03970	6.6
297.04025	15.6
298.04752	9.4
299.05573	17.0
300.05957	1.5
309.04025	0.9
311.05649	2.4
311.11386	0.3
324.02911	0.5
325.03540	1.0
327.05060	100.0
328.05411	8.8
339.05087	3.2
341.06625	0.7
357.06116	26.6
358.06412	2.2
369.06131	2.3
393.06088	1.0
393.13379	0.3
408.22702	0.3
429.08340	0.4
447.09280	96.6
448.09595	10.5
448.15775	0.4
611.16937	0.5
803.23431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.00586	0.9
58.83699	0.4
59.01377	100.0
59.32210	0.3
60.01708	0.8
60.28790	0.3
61.98833	2.1
63.60544	0.3
67.17355	0.3
69.03449	3.9
69.25798	0.4
71.01379	31.4
72.01736	0.4
72.99314	1.4
73.02940	9.2
75.00875	0.5
83.01380	2.9
84.02140	0.4
85.02943	12.0
87.00883	2.4
89.02435	14.3
95.01387	4.1
96.96017	4.8
97.02946	1.4
97.32736	0.4
99.00877	1.2
101.02438	15.0
111.00929	0.4
111.04520	0.4
113.02446	27.0
114.02804	0.7
118.89078	0.4
119.03501	5.1
123.08171	1.6
124.01675	1.5
125.02430	3.5
125.09747	1.4
131.03520	1.3
137.09737	1.2
143.03487	4.6
149.04561	1.1
161.04546	6.3
161.09689	0.6
173.04654	0.5
179.05598	3.4
179.10757	7.6
179.12204	0.6
191.05586	0.6
194.88719	0.5
203.05762	0.6
209.11810	0.5
211.13483	1.1
221.06729	0.4
223.09833	0.6
255.12363	12.6
256.12729	0.6
309.21097	0.4
314.50809	0.4
353.10440	0.4
381.09833	0.7
449.29129	0.6
575.32690	0.6
593.33362	8.8
594.33124	1.8
611.34277	31.4
612.34692	5.0
629.35345	11.7
630.36304	1.6
653.35278	5.7
654.36285	0.9
671.36493	10.3
672.37067	2.0
713.37921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.00597	0.9
59.01378	100.0
61.98829	5.9
69.03469	0.7
70.60721	1.6
70.61074	1.2
71.01379	31.6
72.99326	1.4
73.02946	7.8
75.00899	0.6
78.95940	0.7
79.95729	0.9
80.96509	0.8
81.03474	0.6
83.01380	2.7
85.02950	11.5
87.00880	1.8
89.02436	15.3
95.01390	2.9
96.96005	6.2
97.02958	1.2
99.00884	2.3
101.02439	15.0
113.02447	27.6
114.02794	0.6
119.03515	5.8
123.02174	0.5
124.01665	2.1
125.02450	3.6
131.03522	1.4
143.03484	3.3
149.04625	0.8
161.04556	8.9
173.04572	1.0
179.05661	3.2
191.05679	1.3
194.63739	0.6
225.11459	0.8
231.30487	0.7
233.62466	0.7
343.19168	0.7
353.10440	1.1
449.29105	1.2
586.86182	0.6
593.33276	10.0
594.33881	1.2
611.34326	35.2
612.34534	6.4
629.35419	12.0
630.35968	1.9
644.99542	0.7
645.75787	0.6
653.35297	6.6
654.35895	0.9
671.36511	12.2
671.47607	1.1
672.37225	2.4
743.55164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
70.87238	1.1
71.01373	1.7
73.02930	0.5
75.58815	0.4
83.04974	0.4
85.02944	1.9
87.00873	1.0
89.02420	0.5
93.03458	2.3
96.96024	1.5
100.82930	0.4
101.02426	1.0
109.02944	1.4
111.04533	0.9
113.02464	0.7
115.91876	0.4
119.05033	0.7
123.00868	0.8
125.02401	0.5
133.02933	1.5
135.04504	2.2
137.02440	4.7
139.44241	0.4
141.71788	0.4
145.95735	0.4
147.04503	1.1
151.00351	7.2
151.04028	0.8
152.00633	0.4
152.04791	0.9
155.03598	0.6
159.04477	1.3
161.02362	0.6
161.04575	1.2
163.03999	0.8
165.01913	0.4
166.02705	34.0
167.03285	1.6
173.04561	4.0
173.05945	0.6
174.03186	0.5
175.04022	2.0
177.01912	1.3
179.03468	1.9
181.05049	56.4
182.05432	2.3
184.03697	0.8
187.04028	0.5
190.06358	1.0
191.03770	0.6
191.05585	11.3
192.04303	0.8
203.03502	0.5
205.05034	0.6
205.08652	0.6
207.06560	0.8
215.07043	1.0
219.02959	2.8
219.12106	0.5
229.08662	0.7
252.83997	0.5
255.06569	0.7
268.04550	0.5
273.07962	0.6
284.03217	0.7
285.04166	0.6
297.03958	1.0
299.05740	0.8
327.05106	5.1
328.05261	0.6
340.37329	0.4
353.08765	1.0
353.12656	0.6
357.06088	1.4
359.11377	0.8
387.10812	7.3
388.11148	0.6
391.11810	1.1
402.13159	8.1
403.13367	0.8
409.12988	0.5
416.72748	0.4
417.15497	100.0
418.15814	11.9
435.10632	2.2
447.09253	5.7
448.09692	0.9
449.09738	0.7
556.82721	0.5
579.20856	3.2
583.18127	1.4
609.16040	4.3
610.16437	1.2
627.16779	1.0
687.35162	0.5
801.20428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00591	1.9
59.01381	31.9
61.98843	6.3
62.64826	1.0
69.03452	2.6
71.01385	100.0
71.05009	1.1
71.55663	1.2
72.01736	1.3
72.99303	1.6
73.02947	6.7
75.00868	0.9
78.30464	0.8
81.03468	3.8
83.01402	2.4
83.05028	3.5
84.02168	0.9
85.02958	6.6
87.00887	6.5
89.02448	22.4
92.92804	2.8
93.03455	1.4
95.01389	2.2
95.05036	1.4
96.96001	5.3
97.02940	9.4
97.06596	1.8
99.00883	3.8
101.02453	19.6
107.05049	1.0
109.06596	31.2
110.06953	1.5
111.04597	1.1
113.02448	10.9
119.03504	6.4
121.06577	2.5
125.02447	6.6
125.09718	3.6
127.11299	2.0
131.03497	2.0
134.03595	0.8
135.08163	3.5
136.05287	2.2
137.09750	0.8
139.03999	1.3
141.01949	1.4
142.02718	2.9
143.03467	3.3
144.67641	0.8
155.10765	1.2
161.04581	4.5
161.09726	1.5
163.11290	17.2
171.10272	9.9
173.04567	1.1
179.05629	5.9
181.12357	6.2
182.12717	1.0
185.11864	2.6
189.09189	1.7
190.09494	0.9
191.05589	2.4
197.11882	1.4
199.09744	2.9
201.11275	8.0
207.10258	72.8
208.10654	4.9
209.11754	3.3
215.12897	1.8
221.06598	2.0
225.11314	61.0
226.11714	2.9
235.08275	6.7
238.15530	0.9
243.12350	3.9
253.09224	2.2
270.69318	0.8
282.28912	0.9
287.07623	1.1
299.14926	1.6
305.08722	1.1
397.13501	32.1
398.13751	1.5
415.14566	24.8
416.14960	1.4
443.19196	1.7
536.45660	0.8
566.37415	1.0
577.90881	0.9
597.23895	1.2
605.24738	1.3
623.25586	47.3
624.26288	15.8
625.26483	1.3
641.26776	1.8
760.57758	1.0
794.58997	1.2
799.36151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.15949	0.2
69.82321	0.9
69.82732	0.4
73.31036	0.3
78.01766	0.3
83.66322	0.2
122.97581	0.3
134.33665	0.2
150.59859	0.3
397.85294	0.3
739.91577	0.3
826.32288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
60.09073	0.2
66.20928	0.2
68.57587	0.2
71.01377	0.6
81.03474	0.4
82.11982	0.2
83.05039	0.6
85.02946	1.0
87.00877	0.5
93.03457	2.7
96.96001	0.2
111.04501	2.0
113.02384	0.2
117.03477	0.2
119.05022	51.5
120.05362	2.1
123.68958	0.2
127.04034	0.5
135.04510	0.6
137.02435	0.5
145.02969	0.4
155.03494	2.1
160.39453	0.2
163.03998	100.0
164.04324	4.8
173.04559	4.0
191.05600	16.4
192.05945	0.7
219.92706	0.2
220.54050	0.2
229.05626	0.2
296.63049	0.2
337.09259	44.5
338.09570	4.1
439.12012	0.3
457.12427	2.3
458.13300	0.3
533.39874	0.2
780.43158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98811	0.9
63.96247	2.0
65.82628	0.3
69.03443	1.0
70.11825	1.5
71.01379	10.0
72.99305	0.4
73.02957	1.9
75.13640	0.4
78.95906	1.0
78.98589	8.1
79.95352	0.2
79.95733	16.1
80.96516	94.6
81.03466	0.9
81.96455	0.5
83.01351	0.4
85.02952	3.3
85.04386	0.3
87.00862	3.7
94.98086	20.7
96.96002	1.7
97.02957	2.2
98.20582	0.4
99.00896	0.8
101.02444	2.9
106.98093	4.0
109.70627	0.3
113.02459	0.7
122.97563	4.0
125.02466	3.7
127.04008	1.0
134.97577	6.7
136.99191	1.6
148.99126	8.2
149.99535	0.4
150.96992	0.4
152.98628	7.0
152.99631	0.3
164.98624	14.4
165.98906	0.5
167.00217	0.5
193.18820	0.3
206.99640	3.4
209.11795	1.5
225.00725	26.2
226.00992	0.9
233.80112	0.3
255.23288	2.0
283.04868	0.5
509.17352	0.4
537.27179	1.5
541.19598	3.2
542.40735	0.4
765.40790	1.1
787.37970	0.4
797.43561	100.0
798.43933	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	789.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
59.94829	0.1
61.98816	0.2
62.19450	0.1
69.21276	0.6
71.01375	0.2
78.95900	0.5
79.95736	3.5
85.02935	0.1
94.92465	0.1
96.96007	100.0
97.95934	0.3
98.95617	0.3
123.42535	0.1
156.64592	0.1
173.04617	0.1
180.33418	0.1
188.94417	0.1
191.05501	0.1
202.23376	0.1
209.12032	0.1
293.21259	0.2
301.02448	0.1
354.09814	0.1
378.72964	0.1
385.80103	0.1
410.07846	0.1
453.09186	0.7
500.30222	0.1
663.86017	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.1
59.01377	100.0
60.01708	1.0
63.83166	0.5
69.03459	1.4
70.36442	1.9
71.01379	36.6
72.01747	0.7
72.99315	1.4
73.02943	51.8
74.03294	0.5
75.00902	0.8
77.45629	0.5
81.42701	0.4
83.01385	15.1
83.01884	0.8
83.05028	0.7
85.02940	4.4
87.00883	1.3
89.02445	8.0
92.08465	0.5
93.03487	1.1
95.01402	1.3
96.96010	5.3
97.02973	1.1
99.00880	0.9
101.02438	46.3
102.02825	0.8
113.02446	14.6
119.03487	6.2
125.02441	1.7
131.03493	4.6
137.02498	0.4
143.03487	6.2
147.03014	0.6
149.04553	13.1
149.05699	1.0
155.03497	1.2
161.04544	22.0
166.57733	0.5
173.04607	2.0
191.05611	4.1
203.05629	2.4
221.06650	11.9
222.07118	0.8
233.94868	0.5
269.10446	1.4
280.54071	0.5
284.22867	0.5
311.11429	0.9
378.76532	0.6
406.01108	0.6
449.14633	0.9
824.50037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01379	2.2
63.02388	0.7
63.71675	0.3
65.00313	0.6
70.84145	0.8
71.01370	3.1
75.00864	0.9
79.46278	0.3
83.01385	0.7
85.02953	2.8
87.00867	2.3
89.02430	0.9
95.00198	0.4
95.01383	1.1
96.95986	1.3
99.00878	1.1
107.01396	1.8
113.02431	3.1
121.02970	0.6
133.02939	3.7
149.02448	1.0
151.00366	3.7
173.04478	0.7
175.02568	0.8
175.03993	2.3
183.01704	0.4
191.05605	1.7
199.03975	1.4
201.02046	0.5
214.06183	0.4
217.05035	0.9
230.05342	0.4
241.05011	0.9
284.03204	0.8
285.04019	100.0
286.04373	7.2
287.14923	0.9
297.86417	0.4
327.05093	1.3
381.05975	0.5
461.07199	54.0
462.07541	7.6
462.13678	0.6
616.16089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
61.98823	0.3
62.85229	0.1
66.04164	0.1
69.19228	1.0
69.19637	0.2
71.01381	0.5
78.95892	0.4
79.95737	3.7
85.02971	0.3
89.02460	0.3
93.03458	0.2
96.96011	100.0
97.95930	0.2
98.20671	0.3
99.00916	0.1
101.02429	0.2
113.02454	0.2
116.05386	0.1
116.92908	0.2
135.04492	0.3
161.90572	0.1
165.12860	0.2
171.10272	0.3
173.04558	0.5
177.99605	0.2
181.12276	0.1
183.13893	0.6
191.05574	0.7
192.01282	0.1
196.04849	0.1
197.11732	0.2
207.10258	0.2
209.11879	0.2
211.13380	6.3
212.13792	0.2
227.12764	0.2
249.04639	0.2
253.09276	1.3
257.41168	0.1
291.19727	1.0
309.20721	2.6
382.38254	0.1
431.12543	0.1
449.96591	0.1
453.09399	0.5
467.09030	0.4
545.29828	0.2
789.43213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.1
65.93165	0.1
68.69036	0.1
69.36807	0.5
69.37222	0.1
71.01379	0.2
74.44608	0.1
78.95892	0.5
79.95734	3.6
96.96006	100.0
97.95921	0.4
104.27467	0.1
118.96534	0.1
123.71817	0.1
157.78165	0.1
180.19585	0.1
191.05644	0.1
215.80949	0.1
218.31279	0.1
293.21286	0.1
327.21600	0.1
353.36609	0.1
453.09207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01374	2.2
60.99299	0.6
64.77130	0.4
65.03973	0.5
65.26863	0.4
67.01882	4.9
68.03681	0.4
69.03470	2.4
69.17503	3.0
69.17916	0.9
71.01385	3.9
77.03976	1.1
79.01884	0.6
81.03436	0.8
83.05025	0.8
85.02954	0.9
87.20525	0.4
93.03455	30.4
94.03784	0.8
99.00893	0.5
99.04510	0.5
105.03461	0.5
109.02939	1.1
111.00883	1.2
111.04513	6.0
117.03471	5.0
119.05007	0.7
121.02944	1.5
127.04005	0.7
133.02933	0.4
135.04521	1.2
137.02449	6.0
139.11311	1.1
147.04523	0.4
149.02417	1.7
155.03493	4.7
159.04520	1.2
160.66579	0.4
161.02486	2.8
161.85124	0.4
163.04045	2.9
172.34860	0.4
173.04543	100.0
174.04901	3.6
177.01859	0.4
179.03516	0.7
183.10242	7.7
185.02376	0.6
191.03743	0.7
191.05603	2.7
203.03479	0.6
211.07739	0.7
215.07167	0.6
239.07111	0.9
268.03772	2.3
269.04553	1.5
281.04483	1.6
282.05237	1.2
283.06094	29.6
284.06339	2.6
293.04587	1.3
295.06137	0.8
311.05585	57.9
312.05951	4.8
312.58188	0.4
314.04196	0.4
323.05475	2.3
330.08832	0.4
341.06601	4.5
342.07019	0.6
357.15503	45.1
358.15802	4.4
431.09793	83.2
432.10138	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	787.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03443	0.6
58.00600	1.4
59.01379	100.0
60.01717	1.2
61.98835	4.7
62.05713	0.4
69.03466	2.0
70.84152	0.6
71.01383	45.0
72.01724	0.9
72.47113	0.4
72.99301	2.2
73.02949	58.7
74.03277	0.9
75.00889	0.8
79.01920	0.4
80.96532	1.5
81.03455	0.9
83.01393	18.6
85.02948	8.0
87.00888	2.9
89.02445	10.6
93.03471	1.8
94.69254	0.4
94.98095	0.5
95.01378	2.0
96.96017	2.4
97.02947	1.5
97.06603	0.4
99.00875	1.2
99.04570	0.5
101.02445	62.1
102.02769	1.4
105.03441	0.6
108.02181	1.2
109.02944	0.9
111.04525	0.4
113.02451	20.4
116.92863	1.4
117.01965	0.5
117.03455	1.8
119.03506	7.5
119.05021	1.3
121.02959	2.4
123.00883	0.7
124.01632	0.5
125.02458	3.3
131.03491	6.8
133.02954	1.8
134.03746	1.2
135.04532	2.1
135.51949	0.4
136.01659	12.4
137.02486	2.3
139.04016	0.4
143.03502	7.0
145.02954	8.8
146.03751	3.4
147.02945	0.4
147.04517	1.9
149.04553	10.3
150.03090	0.7
151.00362	4.7
151.02882	0.7
151.04015	11.1
155.03542	2.2
161.02490	6.3
161.04565	18.2
161.06036	1.4
162.03233	40.7
163.03870	2.8
165.05536	1.0
166.02708	12.6
167.03278	0.6
168.79942	0.4
173.04533	3.5
175.04008	1.0
177.01997	1.0
177.05571	26.8
178.02673	1.2
178.05905	1.9
179.03481	1.0
179.07133	0.5
180.04198	1.1
181.05072	13.9
182.05365	0.7
187.03975	0.4
189.05585	0.5
190.06287	0.9
191.03725	0.8
191.05586	8.5
192.04318	0.6
192.45470	0.4
193.05008	0.7
194.02121	0.4
195.06500	2.2
203.05580	1.8
205.08711	0.6
207.06618	0.6
209.11864	0.4
219.06598	2.1
221.06546	2.6
225.00694	0.6
253.08777	1.2
261.07233	0.4
279.06500	0.6
297.07648	0.4
329.10159	0.5
339.10822	2.2
342.11096	0.4
352.07874	2.3
355.11774	0.5
356.12598	0.4
357.09784	1.8
372.11975	0.8
386.13516	0.5
387.14502	9.4
388.14810	0.8
399.12878	1.2
401.15826	0.4
439.14047	3.4
440.14227	0.9
469.80765	0.4
547.19714	13.7
548.19843	2.5
683.31860	0.4
704.20270	0.5
723.84113	0.5
743.38190	0.6
787.22217	0.6
787.33759	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	785.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01377	9.8
61.98829	1.4
67.01899	1.5
67.80008	0.6
68.99821	1.1
69.03452	2.5
69.35153	3.5
69.35573	2.3
71.01379	15.8
72.99313	4.4
73.02946	2.5
75.00871	12.8
78.95898	0.9
81.03445	0.9
83.01381	1.8
84.02094	0.8
85.02951	15.2
87.00864	5.0
89.02453	3.1
93.03445	6.0
95.01421	4.2
96.96017	3.2
97.02949	0.7
98.19927	1.7
99.00884	12.4
101.02454	1.3
103.00363	1.5
108.02170	47.7
109.02951	2.9
111.00885	2.0
111.04516	0.9
113.02435	13.9
115.00391	0.9
117.01930	1.4
119.05032	1.6
123.04517	19.7
125.02464	1.2
129.01961	1.8
135.04488	0.8
135.11838	3.7
137.02423	1.1
143.08603	0.9
146.03732	1.4
152.01144	93.0
153.01915	5.5
155.03500	1.0
156.05260	0.7
157.01419	2.2
159.04562	1.4
161.09711	7.4
163.03993	1.4
163.37383	0.8
167.03485	100.0
168.03886	4.3
173.04521	6.7
175.02499	1.9
179.10777	16.4
180.11090	0.9
181.81903	0.7
191.05586	11.1
191.07195	1.2
195.02689	0.7
195.52910	0.8
203.10829	1.3
229.08624	1.0
231.05061	1.7
247.09680	1.6
249.06128	8.5
251.07104	2.8
253.08829	1.4
265.10626	1.0
267.07190	4.2
269.04581	1.8
346.29868	0.7
365.32199	0.8
393.13339	1.4
411.16507	3.7
419.11102	0.9
437.12573	0.8
455.15598	11.1
456.15640	1.3
473.16373	2.2
479.15604	0.9
497.16354	0.8
502.79477	0.8
541.12018	0.8
593.17065	1.0
617.20874	12.6
618.20886	1.8
688.15833	1.1
763.25214	0.9
785.25024	68.2
786.25171	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	785.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
61.98834	2.4
61.99104	0.4
65.67056	0.3
69.82388	0.7
69.82799	1.0
71.01385	1.3
78.95937	0.4
79.95753	0.6
80.96526	1.1
83.05016	0.5
85.02962	0.7
87.00874	0.4
92.92809	2.9
93.03474	1.1
96.96011	7.7
99.00850	0.4
111.04499	0.3
113.02464	0.6
116.92886	0.5
133.02954	0.4
144.23529	0.3
155.03551	0.4
159.04695	0.3
159.11722	0.3
173.04504	1.9
177.12878	3.1
191.05632	2.7
195.13902	100.0
196.14256	5.7
203.10788	0.6
207.10208	0.3
209.11833	0.5
211.13203	0.4
221.11807	0.6
225.11221	0.4
239.12880	95.2
240.13226	6.3
245.15614	0.4
253.09351	0.5
275.09238	0.7
284.03348	0.4
285.03970	0.6
309.20590	1.0
698.04620	0.4
785.38629	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	782.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11191	0.5
66.03486	1.3
71.56618	0.8
78.95892	0.9
80.05045	0.8
80.96507	1.0
82.06611	1.9
87.05720	5.1
88.04070	0.9
93.03470	0.6
94.06678	0.5
97.04063	1.3
98.02459	0.8
110.03606	0.9
112.07657	2.0
113.03567	1.3
118.06647	0.8
121.04066	2.1
127.08771	0.7
129.10347	19.4
130.08728	2.6
130.10710	0.6
131.05038	0.9
138.07991	0.7
139.08788	4.2
140.07143	3.6
141.46291	0.7
146.06111	1.9
151.08780	0.6
152.99518	0.8
153.10306	2.2
155.08264	4.4
155.11876	1.3
164.09543	4.3
164.14392	0.7
165.10359	5.0
166.08742	1.0
167.08252	1.3
167.10576	0.6
180.11377	0.9
181.07292	0.6
182.13004	3.3
183.11392	2.5
191.05504	1.0
195.14986	1.2
197.16580	3.2
200.14029	4.8
207.15002	17.2
208.13380	0.9
208.15338	1.2
216.13913	0.6
224.17668	8.5
225.16069	3.4
226.12051	0.8
226.16451	0.6
231.14972	1.2
238.74905	0.6
241.13493	2.7
242.11829	2.1
242.18718	13.0
243.19008	0.7
247.58279	0.6
259.14511	4.7
267.19595	0.8
268.16815	1.0
268.19962	0.7
269.21173	1.1
276.17139	1.3
295.21310	8.3
296.22000	0.6
310.25104	0.9
312.17120	3.0
313.22409	4.1
329.19766	2.0
330.18307	1.5
337.26096	7.9
338.26480	0.9
355.27237	3.5
371.24481	1.4
389.25571	1.3
397.61685	0.7
539.39447	3.3
556.34955	1.2
573.37543	3.9
615.42181	2.4
782.51794	100.0
783.52112	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.46467	0.2
101.72898	0.2
103.88828	0.1
137.20169	0.1
221.40323	0.2
223.38185	0.2
233.17090	0.2
238.51283	0.1
289.67770	0.1
455.98889	0.2
532.32452	0.1
551.95209	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
60.99304	15.7
61.98829	5.6
67.04096	0.3
67.42842	0.2
69.41439	0.2
69.68469	1.4
71.01377	1.3
72.99302	0.4
73.02965	0.3
85.02949	0.3
87.00876	2.1
88.00395	2.6
88.98801	100.0
89.02437	13.5
89.99128	0.8
96.96004	1.2
98.59358	0.3
101.02432	0.6
142.67751	0.3
153.02838	0.3
163.11256	0.3
167.02074	0.3
173.04417	0.3
191.05525	0.4
209.11829	0.9
227.12956	0.6
293.21185	2.1
294.21555	0.4
323.22287	1.1
397.13501	1.7
398.13275	0.3
415.14401	1.6
463.21313	0.3
768.17822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.7
71.01385	5.8
71.55452	1.7
73.02943	1.2
78.98592	2.3
79.95744	3.5
80.87086	1.0
80.96518	17.8
89.02464	2.4
94.98098	3.4
95.05051	1.4
97.02966	8.3
99.00869	10.4
101.02458	3.8
110.03758	1.1
113.02454	1.6
125.02445	1.6
125.09758	1.7
134.50764	1.0
134.97575	1.5
135.08189	2.0
142.02705	3.1
163.11307	6.6
164.98643	4.1
173.10616	1.3
181.12366	15.5
185.02202	1.4
185.81305	1.0
194.31834	1.0
199.13353	2.2
201.41466	0.9
207.10272	51.0
208.10608	3.0
223.25453	1.2
225.00793	6.6
225.11330	100.0
226.11705	5.2
235.08174	1.7
243.12347	9.6
253.09360	3.7
263.20123	2.8
277.21729	94.7
278.22061	6.9
281.24844	2.4
396.04764	1.3
443.19092	4.4
461.20300	45.3
462.20670	6.2
484.57516	1.0
607.29639	1.2
721.41650	30.4
722.42285	7.0
781.40509	27.6
782.41028	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	782.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80622	0.8
59.01381	18.7
61.98818	3.0
71.01386	8.6
71.55888	0.8
71.56293	1.0
72.99308	0.9
83.01385	1.7
85.02945	3.7
87.00855	2.8
89.02454	4.2
93.03454	2.6
95.01353	1.0
96.96010	13.2
99.00838	1.1
101.02435	3.4
109.02979	1.0
111.04511	1.0
113.02448	3.2
116.05063	18.4
117.03460	10.4
117.05367	1.2
119.03501	1.5
119.05022	2.8
134.91475	1.0
135.04483	1.5
147.04546	1.0
149.02480	1.2
161.02422	3.5
161.04564	1.3
163.03937	0.9
173.02446	1.3
173.04549	3.9
173.05923	0.9
175.03979	8.4
177.01912	3.1
185.02454	1.5
188.01128	1.0
191.05588	9.9
201.01877	1.4
202.79599	0.8
203.03528	7.4
205.01413	2.0
207.08305	0.9
209.11803	1.4
211.13348	1.8
215.03491	1.0
216.59384	1.0
217.05070	1.6
219.03026	1.6
233.04486	1.4
233.75360	0.8
245.04568	2.0
247.67947	1.0
251.07071	0.9
257.04572	1.0
267.06607	1.1
269.04440	1.7
270.09329	0.8
271.02545	1.3
278.09161	0.8
279.06528	1.7
281.04736	1.8
282.05310	1.1
283.06027	2.1
293.04517	3.3
293.07852	1.4
294.05243	1.8
295.06042	9.5
297.07635	1.6
307.06082	2.8
309.07666	3.4
311.05518	3.1
321.07587	1.7
322.04898	2.0
323.05621	16.3
324.05887	1.2
335.05518	3.9
335.12448	1.5
336.12570	0.9
337.07059	6.1
349.07388	1.4
353.06540	4.3
365.06641	18.8
366.07224	1.2
367.07990	1.9
395.07886	5.5
408.08884	1.6
408.47031	0.9
422.10648	1.0
436.11920	1.5
438.09766	5.4
439.10559	1.0
440.11542	1.3
452.11389	1.5
453.90118	0.9
464.11560	5.1
482.12497	13.5
483.12692	3.0
485.11093	1.3
485.81870	0.9
494.12177	3.1
512.13513	5.1
513.14117	1.0
545.13239	1.2
602.16736	21.4
603.17181	2.5
603.62213	1.0
662.18665	3.9
665.16882	3.9
679.35730	2.3
692.19458	2.3
697.37030	1.1
739.37830	1.6
782.22998	100.0
783.23340	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74915	0.1
59.01360	0.1
61.98841	0.2
65.79414	0.1
69.58289	0.5
70.33204	0.1
78.95908	0.6
79.95359	0.1
79.95731	3.5
96.96005	100.0
97.95940	0.3
98.20626	0.2
101.02357	0.1
148.98900	0.1
194.25105	0.1
198.49184	0.1
198.68729	0.1
293.21313	0.1
670.35748	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.6
61.98828	0.8
67.50085	0.5
71.56377	0.8
73.81030	0.6
76.04468	0.5
78.20640	0.6
78.95882	1.7
80.95870	0.5
83.11140	0.6
86.25562	0.6
110.98506	2.4
127.44904	0.5
150.95323	0.5
163.11276	50.9
164.11644	2.8
172.57462	0.5
177.09198	42.0
178.09543	2.7
185.02177	4.7
191.05617	0.6
212.97940	0.5
253.21634	1.2
353.21182	100.0
354.21497	12.4
421.23602	1.6
542.88989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71292	0.1
61.54422	0.0
78.95895	0.3
79.95733	3.4
96.96009	100.0
97.95951	0.3
98.20677	0.1
191.05536	0.1
229.34587	0.1
393.65048	0.1
437.14636	0.1
531.35956	0.1
743.12732	0.1
775.45508	0.1
776.46667	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01142	4.6
59.01380	46.0
61.98579	4.4
61.98824	47.0
70.51114	16.6
71.01380	100.0
72.08702	4.4
73.02927	9.3
82.95418	28.3
83.05003	6.5
85.02950	11.4
87.00873	11.3
88.98811	4.1
89.02441	35.9
96.96015	27.1
97.02930	7.9
101.02432	27.0
109.06567	16.7
113.02437	20.2
119.03490	17.7
125.02452	16.1
125.09702	7.1
125.10666	4.2
135.04471	6.1
143.03542	7.3
144.74287	5.3
146.44955	4.5
161.04538	9.7
163.11273	10.6
171.10249	22.4
173.04512	14.3
173.06004	5.9
179.05588	8.0
191.05644	31.1
197.11801	4.9
199.09784	45.2
201.11331	16.4
207.10243	65.8
208.10500	7.2
209.11809	71.5
225.11299	58.8
227.12758	24.2
235.08153	12.3
243.12320	7.1
253.09190	13.0
256.38083	4.4
345.62244	4.9
397.13470	88.6
398.13867	12.2
415.14508	53.7
435.18552	6.3
597.23889	42.0
598.23627	7.3
605.22412	18.2
623.25659	57.3
624.25854	21.2
775.31744	52.2
775.45380	7.3
776.31976	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	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03450	1.4
58.00596	4.0
59.01379	95.8
60.01712	1.6
61.98827	0.8
67.01884	0.8
71.01379	79.2
72.99308	6.9
73.02943	1.7
83.01353	3.3
84.02213	0.6
85.02948	14.2
85.46705	0.7
87.00876	7.1
89.02441	100.0
90.02790	1.5
93.03420	1.4
95.01386	5.7
96.96008	8.0
98.19852	1.2
101.02438	42.6
109.02961	2.3
111.04504	0.8
113.02444	33.8
117.03452	1.9
119.03497	41.4
120.03845	1.0
121.02950	2.4
122.03761	0.8
123.00795	0.8
123.04510	0.9
125.02413	2.5
131.03508	6.0
133.02940	1.4
134.03688	0.8
135.04495	2.1
136.01660	6.3
137.02409	3.8
139.04102	0.7
143.03487	9.6
145.02956	7.8
146.03694	2.2
147.04489	2.8
149.02483	3.9
149.04533	4.3
150.03191	2.3
151.00380	7.9
151.03989	6.7
152.01053	0.9
152.04712	0.9
153.05585	0.9
161.02437	7.0
161.04546	9.7
161.05913	1.2
162.03220	30.2
162.04599	1.5
163.03700	1.2
164.04688	0.7
165.05540	2.2
166.02710	26.5
167.03311	0.8
173.04547	1.9
175.02589	0.8
175.03989	3.0
176.01073	1.1
177.01920	20.1
177.05544	17.6
179.05614	23.2
180.04164	2.3
180.05876	1.3
181.05064	27.4
182.05429	1.0
187.03909	0.6
187.44217	0.7
189.05646	0.8
190.06300	1.0
191.03484	2.5
191.05559	4.9
192.04291	14.8
193.04662	1.5
195.06532	4.6
195.43867	0.6
205.05011	1.5
207.06587	13.7
209.11847	1.4
219.03168	0.7
219.06210	0.7
225.07622	1.4
357.12247	3.6
369.50546	0.8
372.11926	1.2
386.13461	1.3
387.09790	1.1
387.14035	5.2
402.12939	1.5
416.14734	1.2
417.15466	8.0
464.89175	0.7
577.20758	21.8
578.21527	3.5
775.28217	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	774.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89886	1.6
58.00591	2.9
59.01381	76.5
61.98829	16.7
68.90189	1.7
69.71992	8.3
71.01388	50.8
72.99311	6.1
73.02966	3.0
78.95892	2.1
85.02949	8.5
87.00910	2.3
89.02456	48.7
95.01392	2.7
97.92944	1.8
98.08791	1.7
98.20602	1.8
101.02452	30.6
113.02453	18.2
119.03502	20.2
126.81844	1.5
134.51666	1.7
143.03549	4.2
156.19031	2.0
161.04570	4.3
168.50307	1.5
168.81255	1.5
176.54128	1.6
179.05595	8.4
193.78996	1.8
209.69044	1.9
225.22192	14.1
253.21695	4.6
271.22794	3.1
280.26422	3.3
534.48608	15.2
535.48938	2.7
552.50128	10.3
641.11420	1.7
714.55249	100.0
715.55743	28.5
802.95233	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	775.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46889	0.3
59.01374	1.4
59.44372	0.4
63.02418	0.4
69.26141	3.3
71.01350	0.7
72.99318	0.4
82.02984	4.3
85.02928	1.8
89.02410	0.4
93.03432	0.6
95.01375	0.6
96.49413	0.4
96.96016	2.9
98.62825	0.4
99.00895	0.6
100.22025	0.4
104.05031	0.5
106.06622	3.3
108.04549	0.7
110.02495	0.5
113.02437	2.8
117.03417	0.5
122.06155	0.7
132.04544	9.5
133.05275	0.8
134.06114	14.8
135.04485	0.3
135.06401	0.6
136.04025	1.2
148.04031	0.5
149.04797	1.2
150.05565	0.4
160.04024	9.9
161.04816	17.7
162.05597	38.8
163.05942	1.8
173.04565	0.6
175.02463	1.3
176.03502	1.8
191.05630	1.9
192.51505	0.3
193.03786	28.9
194.04234	1.6
205.12143	0.4
212.07083	2.0
213.07849	1.2
214.08762	2.0
220.61276	0.4
226.08740	0.6
240.10284	0.5
241.06230	2.2
242.11786	2.5
243.11533	1.8
254.07080	0.6
255.07709	0.8
256.08469	0.5
257.09323	4.5
258.09549	0.4
268.09720	1.4
269.01633	0.4
269.04547	11.6
269.09064	3.0
270.04889	1.3
285.12436	29.4
286.12756	2.9
311.10355	4.5
312.10623	0.6
329.11389	100.0
330.11694	9.3
445.07733	3.4
452.12195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01380	1.7
60.80205	0.4
61.98830	3.8
63.36947	0.4
71.01380	1.0
71.56004	0.5
72.59377	0.4
84.62363	0.4
85.02959	1.0
93.03474	1.1
96.96004	4.4
98.95583	0.5
101.02448	0.4
111.08195	0.9
127.72684	0.4
133.02971	3.4
134.03726	0.8
135.04532	5.3
137.02425	1.0
161.02440	20.0
162.02786	0.7
163.11198	0.4
165.12840	19.7
166.13229	0.9
171.10284	0.7
173.04550	2.2
179.03442	2.3
181.05087	0.5
183.13892	90.4
184.14227	4.7
191.05605	3.4
191.10777	0.5
209.11827	5.0
227.12874	100.0
228.13220	5.2
253.09291	0.9
287.22250	1.5
291.19611	0.8
309.20853	0.8
327.21695	0.8
431.24341	1.2
445.20996	0.5
449.19107	0.8
449.25409	14.5
450.25781	1.9
581.27515	0.9
611.30774	8.6
612.31134	1.9
773.37427	2.0
804.51129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51156	0.1
61.98824	0.6
66.46696	0.1
70.69616	0.2
71.01364	0.1
78.95906	0.5
79.95734	3.2
94.98074	0.1
95.97574	0.1
96.96007	100.0
97.95940	0.3
98.02472	0.2
103.96307	0.1
107.14156	0.1
109.72128	0.1
171.10258	0.1
271.42734	0.1
381.68546	0.1
453.09552	0.2
453.17810	0.1
713.30310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22934	0.1
59.45763	0.1
61.98821	0.2
69.07669	0.1
69.35716	0.4
69.36126	0.2
75.34448	0.1
78.95897	0.4
79.95738	3.9
94.98088	0.1
96.96014	100.0
97.95953	0.3
97.96496	0.1
98.02501	0.1
98.20649	0.1
98.90634	0.1
175.64613	0.1
194.72070	0.1
209.11798	0.1
246.07072	0.1
258.42172	0.1
258.44791	0.1
453.09369	0.2
490.88873	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.3
70.70610	0.2
71.01369	0.1
78.95898	0.5
79.95732	3.4
83.41351	0.1
94.98082	0.1
96.96005	100.0
97.95923	0.4
98.02509	0.1
119.88805	0.1
135.04666	0.1
160.69716	0.1
180.61426	0.1
191.05649	0.1
453.09247	0.2
457.01382	0.1
501.80359	0.1
713.30646	0.2
714.31067	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03440	4.9
58.00599	2.6
59.01381	63.5
60.01720	1.7
61.98833	2.8
67.01888	1.9
68.99818	1.3
69.03444	1.7
69.26670	2.1
69.27077	9.4
71.01385	55.4
72.01736	1.5
72.99311	6.9
73.02943	11.1
75.00877	4.5
81.03461	1.0
83.01385	7.3
85.02950	28.5
87.00878	6.8
87.04518	1.6
89.02443	20.3
93.03447	7.9
94.98083	1.2
95.01401	7.4
96.96021	6.7
97.02968	3.1
99.00876	7.3
100.28712	1.1
101.02451	24.9
108.02171	1.8
109.02999	1.5
111.00885	1.6
111.04540	2.5
113.02457	26.8
119.03509	7.7
119.05006	3.5
121.02969	1.7
123.04540	18.7
124.01646	1.4
125.02432	4.7
135.04521	1.5
137.02419	2.2
137.89240	1.2
139.04008	4.0
141.01947	1.0
143.03493	2.7
144.29745	1.1
152.01155	2.1
153.05591	17.8
154.24893	1.0
155.03471	1.2
159.08209	1.3
161.04579	2.7
161.09726	2.7
163.03986	3.4
173.04555	19.9
179.10767	4.7
181.12277	1.3
191.05618	9.5
211.13347	2.4
214.67914	1.0
218.30626	1.2
249.06082	2.0
315.25549	1.4
361.29602	8.1
362.29892	1.4
385.18460	4.3
455.15442	1.3
499.55145	1.2
505.33685	6.3
523.35138	6.7
592.52197	1.4
667.39014	100.0
668.39319	18.9
685.40106	51.3
685.49976	0.8
686.40448	10.7
727.41119	53.9
728.41528	12.5
753.26569	1.7
771.26959	25.1
772.27228	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	771.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
56.31150	0.9
57.03450	4.2
59.01377	52.6
65.92918	0.8
69.03461	1.6
70.88265	1.6
71.01378	41.4
72.99304	3.4
73.02940	8.5
83.01375	5.3
85.02452	1.8
85.02946	21.8
85.35389	0.9
87.00861	3.3
89.02449	14.6
93.03453	4.0
95.01389	4.8
96.95998	7.0
97.02921	1.2
99.00867	2.6
101.02439	23.5
109.02988	5.4
111.00900	3.4
113.02441	22.1
119.03512	4.6
119.04971	4.7
124.01602	1.0
125.02422	3.1
129.01949	1.3
135.04439	1.0
143.03484	2.6
145.02962	1.4
153.01912	3.2
155.03326	0.8
159.02940	1.0
161.04558	2.1
163.03984	3.4
171.13896	1.2
173.04532	7.9
191.05574	7.5
201.14836	1.3
221.38855	0.9
315.25339	1.0
359.28119	1.4
361.29626	9.1
475.87042	1.2
505.27405	0.9
505.33636	5.4
523.34723	7.2
607.15509	1.0
667.39038	100.0
668.39410	19.1
685.40094	40.6
685.50024	0.7
686.40765	8.1
727.41156	42.4
728.41486	9.5
771.23169	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	771.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
61.98823	5.4
70.24846	1.2
70.25240	1.1
71.01374	1.7
73.02923	0.8
77.00819	0.5
82.12097	0.6
85.02938	1.7
87.00858	2.1
93.03431	1.8
96.96011	5.4
101.02405	0.7
111.04465	1.1
113.02469	0.8
123.08130	0.8
127.11269	0.6
133.02924	0.6
135.04474	0.9
135.08131	0.7
137.02464	0.6
137.09695	0.9
148.05318	0.7
149.06114	0.9
150.05663	1.2
150.06847	19.0
151.07199	1.3
155.03471	0.6
162.06854	0.7
163.07642	9.9
164.08430	3.6
171.10190	0.7
173.04561	3.5
176.08337	1.0
177.09132	1.0
178.09897	1.4
179.10764	10.5
181.97392	0.6
185.11539	0.6
191.05573	3.7
201.11298	0.9
205.05220	0.6
209.04405	0.6
225.11304	1.6
257.13876	0.7
306.18286	0.9
335.02090	0.7
341.23303	2.4
343.21112	3.9
410.52145	0.6
462.29584	0.8
476.31351	3.7
477.32187	4.9
478.32150	0.7
504.30899	3.4
505.31564	2.0
507.29462	0.8
508.35712	0.6
522.31946	7.1
523.32690	13.8
524.32990	2.2
573.18024	0.6
618.00586	0.6
667.36774	0.9
684.57086	0.7
685.37720	2.6
727.39038	100.0
728.39435	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	771.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01374	5.1
61.98830	9.4
71.01374	2.9
71.56316	0.6
72.10872	0.7
73.02931	1.1
79.95689	0.7
80.96529	0.8
85.02947	2.6
87.00861	2.6
89.02419	0.9
93.03433	2.3
96.96013	10.2
101.02439	1.7
111.00867	0.9
111.04485	0.8
113.02416	1.9
113.61537	0.9
120.21229	0.7
121.02899	1.1
137.02438	1.9
137.09714	1.3
149.05992	1.2
150.06857	18.9
151.03966	1.0
155.10759	0.9
162.06786	1.4
162.89262	0.8
163.07639	11.0
163.11325	0.7
164.08437	4.5
171.10211	1.3
173.04555	4.4
177.09082	0.9
178.09915	0.7
179.03387	1.0
179.10771	9.7
191.05568	6.0
201.11270	1.3
209.21100	0.8
210.95995	0.7
257.13898	0.8
260.33359	0.8
306.18112	1.2
324.33627	0.8
341.23218	2.2
343.21082	3.2
431.28296	0.8
459.30890	0.8
460.31766	0.8
462.29602	1.4
476.31281	2.4
477.32007	3.9
478.32843	0.9
504.30768	2.7
505.31708	2.3
522.31982	6.3
523.32751	11.5
524.33136	1.9
667.38788	1.3
685.38391	2.8
727.39056	100.0
728.39423	23.1
771.32373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
59.54897	0.1
61.98827	100.0
62.98537	0.1
71.01397	0.3
71.55421	0.1
71.55849	0.1
79.95757	0.1
80.96545	0.1
85.02988	0.2
89.02459	0.2
96.96000	0.8
107.91119	0.1
109.64977	0.1
113.02460	0.1
122.52138	0.1
124.68445	0.1
125.02442	0.1
150.06822	0.1
171.10240	0.2
173.04617	0.2
191.05643	0.4
207.10075	0.1
292.20261	0.1
297.04053	0.1
309.20764	0.4
310.21112	0.4
311.21442	0.1
312.21979	0.1
336.53000	0.1
350.75772	0.1
380.84399	0.1
398.13879	0.1
399.14163	0.2
416.14743	0.1
417.14926	0.1
452.15408	0.1
593.23517	0.2
594.24298	0.7
727.39368	0.4
770.27881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.79680	0.2
57.03447	0.5
58.00588	0.3
59.01378	100.0
59.24953	0.2
60.01718	0.9
67.81557	0.2
69.40548	1.2
69.40953	0.3
71.01379	9.9
72.40275	0.2
73.02937	3.7
75.00866	0.3
83.01368	1.7
85.02948	5.5
87.00884	0.4
89.02441	3.2
95.01391	1.0
96.96011	0.4
97.02956	0.2
98.20633	0.4
98.28212	0.2
99.00868	1.7
101.02441	8.5
113.02449	4.7
118.11392	0.2
118.67107	0.2
119.03493	0.3
125.02458	0.3
131.03534	0.7
143.03482	0.5
145.03012	0.2
149.04552	1.9
152.47455	0.2
152.62881	0.2
159.03006	1.0
159.29958	0.2
161.04539	4.8
162.03227	0.2
162.04915	0.3
162.72940	0.2
173.04597	0.3
179.05627	0.3
182.08496	0.2
191.05653	0.7
210.51373	0.2
269.10284	11.6
270.10678	0.7
293.08936	0.2
311.11356	7.8
312.11719	0.7
413.14688	0.2
415.16025	1.2
698.89404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86160	1.2
55.01875	2.9
57.03440	4.4
58.00593	1.2
59.01382	57.0
61.98839	1.2
65.32357	1.1
70.29784	4.9
71.01386	44.6
72.99313	3.7
73.02943	10.4
75.00861	1.7
83.01414	6.2
85.02949	18.1
86.91932	1.1
87.00881	4.9
89.02447	18.2
93.03461	4.6
93.14140	1.3
95.01394	4.1
96.78409	1.3
96.96034	7.3
97.02953	1.3
98.20030	1.3
99.00870	3.2
101.02442	24.4
111.00894	2.1
111.04434	1.3
113.02455	20.4
119.03520	4.8
124.40093	1.1
125.02438	3.8
129.01952	1.8
133.02846	1.1
134.03772	1.1
135.04530	1.2
143.03510	3.9
145.08707	1.2
155.03548	1.6
159.03036	1.2
161.04582	3.3
173.04520	8.6
179.05637	1.3
191.05658	11.1
192.05943	1.7
201.14882	1.5
218.06726	1.2
275.09213	2.3
334.01108	3.5
359.27890	7.5
372.01758	1.3
403.08246	1.4
485.31561	1.6
503.32217	7.6
521.33319	7.7
629.35760	1.5
665.37518	100.0
666.38013	18.0
683.38611	50.6
683.47968	0.9
684.38928	9.3
725.26807	2.1
725.39691	36.4
726.39905	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	769.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03442	3.9
58.00592	2.2
58.87403	1.0
59.01379	72.2
61.98800	1.6
62.43980	1.0
63.92169	1.1
69.03452	2.0
69.96505	1.0
71.01382	57.6
71.56207	1.4
72.99313	4.7
73.02956	9.9
75.00874	1.0
78.95900	1.5
80.17822	0.9
83.01373	6.7
85.02950	23.4
87.00896	5.5
87.15922	1.2
88.08210	1.1
89.02446	22.4
93.03452	3.2
95.01385	7.0
96.96015	6.4
97.02961	2.1
99.00874	4.2
101.01788	2.3
101.02438	33.1
102.02767	1.1
111.00874	3.1
113.01710	2.0
113.02441	27.4
114.02826	1.2
119.03493	8.3
125.02441	3.7
127.11314	1.3
131.03503	1.1
132.90120	1.0
134.03711	1.1
143.03479	3.0
159.02975	1.6
161.04532	4.3
171.13759	1.2
173.04503	5.2
179.05510	1.6
191.05551	11.1
191.73727	1.3
198.49469	1.0
201.14951	4.2
269.04428	2.7
275.02280	1.0
334.01343	2.9
341.26837	1.1
359.27841	5.3
458.74573	1.4
485.31424	1.3
503.32153	16.4
504.32544	2.5
521.33240	9.2
545.32990	1.4
548.81946	1.1
629.34747	1.4
649.38165	1.4
665.37488	100.0
666.37903	22.8
667.38794	2.9
683.38574	48.7
684.38940	9.7
725.39655	46.2
726.39899	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	769.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03506	4.2
59.01442	4.9
61.98374	2.6
61.98541	4.6
61.98892	64.0
63.02449	2.0
65.00391	11.1
70.10721	2.9
71.01398	6.1
72.99379	1.5
73.03010	1.0
75.00940	1.3
79.95800	0.7
80.96584	1.4
81.03525	0.8
83.01389	5.0
85.02952	5.8
87.00935	1.5
89.02529	2.2
91.79011	0.7
93.03549	0.8
94.72926	0.6
95.01487	2.3
96.96015	9.4
99.00985	2.8
101.02511	1.4
107.01390	16.4
111.08218	0.7
113.02473	5.3
123.04522	4.7
123.12649	0.7
124.01730	1.8
125.02451	21.9
125.09855	1.1
126.02891	1.2
135.04674	0.7
137.02531	0.8
145.03107	0.7
146.03731	0.8
149.02501	0.8
151.00372	50.4
152.01047	1.3
159.04561	1.3
161.02469	3.5
165.02101	1.9
167.03506	10.5
169.01540	2.8
171.10406	0.9
172.05417	2.7
173.04704	1.5
173.06163	1.9
174.07170	0.7
175.02522	1.2
175.03960	0.9
178.99983	0.6
183.14006	1.0
185.06145	0.9
186.06969	1.0
187.04077	0.8
188.04909	0.8
189.01993	1.1
191.05763	2.5
192.71805	0.6
193.01570	0.7
197.06180	1.0
197.11945	2.1
198.06946	1.1
199.04134	2.0
200.08575	1.0
209.06110	0.7
211.04018	1.1
211.07642	1.6
212.04895	0.8
212.08443	1.8
213.05667	0.6
215.10834	0.7
225.05687	1.8
225.09392	1.8
226.10004	0.9
227.03592	3.0
227.10899	2.5
227.12828	1.6
237.05774	1.9
240.04346	0.8
241.05479	0.8
241.08577	0.7
241.12347	13.2
241.14513	0.9
242.12703	0.9
253.08673	1.0
253.12560	0.8
255.03023	1.1
265.05157	1.0
267.10312	1.7
269.04678	1.7
269.11856	1.4
279.10538	1.0
283.02603	1.0
284.03384	2.8
285.04086	0.9
291.19797	1.1
296.03687	0.8
297.04099	2.3
298.04727	4.0
306.05466	2.0
307.06137	2.2
308.03366	1.4
309.04056	19.4
309.20721	3.5
310.04544	1.9
310.21222	3.0
311.05661	1.2
311.21634	0.9
323.05698	2.0
324.06223	1.3
335.05801	1.7
351.05289	1.6
354.14709	1.0
377.10315	1.8
393.13513	1.8
397.13214	0.9
398.13580	1.1
399.14014	1.2
416.15079	1.4
417.15359	0.8
423.21851	1.9
441.22800	1.1
442.22879	0.6
449.19720	1.1
465.22748	0.8
467.20926	3.2
500.06924	0.7
542.16022	0.7
575.23120	1.9
593.23938	100.0
594.24182	18.1
594.33118	1.2
751.25269	1.2
769.27008	50.8
770.27454	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	769.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.3
57.03447	10.5
59.01377	67.4
62.36702	1.7
67.01881	5.5
69.03458	14.2
71.01382	42.4
71.55244	2.8
72.99294	6.4
73.02935	17.7
74.58382	1.5
75.72604	1.6
81.03452	9.5
83.01373	10.5
83.05010	6.7
85.02947	99.0
87.00872	100.0
89.02433	4.1
93.03445	7.9
93.03979	1.7
95.01380	35.0
96.95996	6.3
97.02950	36.0
99.00867	5.7
99.04508	5.9
101.02455	9.3
103.04004	10.2
108.49747	1.9
109.02923	11.5
111.00874	32.7
111.04513	2.7
113.01708	3.0
113.02444	39.5
115.00373	16.6
115.03973	1.9
119.03461	2.4
119.04989	5.0
119.63815	1.8
121.02939	3.5
125.02473	4.0
127.04014	22.8
129.01877	1.9
134.03781	3.1
137.02429	7.1
139.00381	32.2
139.03984	2.8
139.58017	1.9
145.05081	12.2
153.01918	1.9
155.03520	14.7
157.01437	10.1
161.04495	2.4
163.03986	7.4
163.06087	3.0
163.10078	1.9
167.03458	2.4
169.05005	5.2
173.04536	10.0
175.02484	38.2
175.07558	1.9
191.05649	6.0
193.05046	3.8
199.02480	47.1
199.06314	1.8
217.03539	21.9
220.48524	1.7
242.83780	2.0
259.08246	2.2
285.06073	3.5
303.07193	19.7
321.08279	11.3
329.13892	4.0
345.08264	10.1
387.09216	22.9
405.10278	12.3
443.18909	7.6
521.11340	2.8
551.15436	4.4
563.12579	8.8
569.17059	2.5
579.15833	2.2
667.17035	4.7
709.18243	76.8
710.19019	11.5
727.18829	2.8
769.20343	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	768.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78913	0.1
53.79572	0.2
54.01799	0.1
56.78398	0.1
59.01383	1.4
61.98832	100.0
67.54055	0.1
71.01398	0.7
71.59638	0.2
85.02969	0.2
89.02447	0.2
96.96012	1.8
101.02454	0.3
113.02437	0.3
119.03478	0.2
125.02428	0.2
125.09763	0.2
135.04485	0.2
141.01730	0.3
152.23845	0.1
171.10277	0.2
173.04582	0.7
173.95418	0.2
179.05753	0.3
191.05650	0.4
207.10275	0.2
209.11952	0.2
210.12195	0.3
246.19666	0.2
289.18164	0.2
290.18454	0.6
291.18970	0.3
307.19232	0.3
308.19623	0.6
309.19879	0.4
310.20224	0.3
311.22302	0.5
379.77271	0.1
393.89838	0.2
397.13522	0.5
399.14163	0.5
400.41742	0.2
415.14780	0.4
418.15488	0.2
494.49954	0.2
617.65973	0.2
709.37048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
57.03448	5.7
58.00592	1.9
59.01379	100.0
65.03975	2.1
67.01894	9.8
68.99821	2.2
69.03450	9.3
70.18209	2.0
71.01379	21.1
72.99310	5.7
73.02937	5.8
75.00854	0.9
81.03452	11.9
83.01388	14.9
83.05032	7.4
84.02172	1.1
85.02950	71.5
86.03275	1.7
87.00874	13.9
89.02439	5.6
93.03458	17.2
95.01386	53.0
96.01718	2.2
96.96021	1.9
97.02960	8.4
98.19896	0.9
98.65441	0.9
99.00869	5.5
99.04510	9.4
101.02425	7.4
103.04007	5.2
103.22157	0.8
107.05031	1.8
108.02194	2.7
109.02956	19.8
111.00877	61.6
111.04523	6.1
112.01170	1.2
113.02444	28.4
115.00397	1.0
119.03503	1.7
121.02950	4.0
123.04538	3.7
125.02449	5.2
127.04006	38.9
128.04350	1.4
129.01961	1.2
133.02904	1.0
135.04517	2.3
137.02446	9.6
139.00366	67.1
139.04018	2.2
140.00693	2.1
141.05585	4.8
143.03464	0.9
145.05064	15.6
149.02460	2.8
151.03967	2.5
153.01920	3.3
155.03497	19.6
157.01381	6.1
163.06097	4.7
164.07138	1.9
167.03499	4.7
169.05058	4.9
171.03012	7.6
173.04556	3.0
175.02609	1.0
177.05400	0.8
179.03462	2.3
181.01395	4.2
181.05028	1.9
191.03964	1.0
191.05618	5.5
197.04562	1.4
197.14029	0.8
199.02470	67.5
200.02832	3.7
205.38525	0.9
206.08241	3.6
207.08633	0.8
213.04036	2.3
217.03412	1.6
223.02454	1.0
241.03522	3.2
241.07013	3.8
253.03381	1.1
257.06671	1.5
259.08243	2.7
285.06192	9.1
301.05679	2.1
303.07126	8.8
304.07932	0.9
306.07617	1.3
315.99802	1.0
319.06757	1.8
327.07272	1.7
327.76450	0.8
329.14197	1.7
345.08237	28.5
346.08472	2.4
359.14621	0.9
363.09344	2.5
380.44711	0.8
385.18591	0.9
387.09302	35.3
388.09747	2.5
405.10297	24.9
406.10626	2.0
423.11603	1.3
461.45062	0.9
465.12289	4.2
493.11844	3.7
544.50964	0.9
550.26959	0.7
551.16339	3.6
561.15027	1.1
569.17468	4.9
579.15381	5.2
597.16803	4.2
603.64386	0.9
647.18365	2.0
665.19336	3.3
691.17200	1.8
709.18390	2.0
751.18915	1.0
769.20221	3.7
770.20331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	2.0
59.01381	25.6
60.12040	0.9
61.98833	22.1
63.05872	1.0
69.03473	2.1
70.30372	3.4
71.01382	20.7
72.99313	1.4
73.02946	3.4
83.01411	2.5
85.02940	4.7
87.00851	3.3
89.01932	1.8
89.02447	17.8
90.05800	1.1
95.01364	1.8
96.42563	1.1
96.96000	1.8
97.02969	9.1
101.02442	15.0
111.08183	2.6
113.02440	7.4
119.03477	4.3
125.02426	5.9
125.09726	1.4
137.09708	2.4
143.03476	2.4
150.10521	1.0
161.04518	2.8
163.11229	2.2
165.12778	4.0
171.10272	6.7
173.04491	1.7
179.05629	3.3
179.14421	1.3
181.12311	1.5
183.13805	1.7
191.05565	3.1
193.12358	1.4
197.11833	7.9
209.11798	3.9
211.13382	2.4
221.06622	1.6
223.13324	1.4
227.12852	2.4
235.08206	4.5
247.20610	4.4
253.09186	1.9
273.18658	1.8
291.19644	30.8
292.19983	3.6
309.20715	100.0
310.21060	9.0
397.13498	50.4
398.13696	4.4
415.14566	41.3
416.14859	3.2
707.34637	8.9
708.34924	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	767.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
59.45228	0.2
60.99303	15.1
63.00519	0.1
69.57227	0.4
69.57638	0.6
70.94421	0.2
71.01373	1.8
72.05355	0.1
72.99300	0.2
73.02928	0.4
81.03439	0.1
83.05025	0.3
85.02940	0.7
87.00874	1.1
88.00399	1.5
88.98801	100.0
89.02436	4.4
89.99136	0.9
93.03430	0.3
94.64725	0.1
96.95996	0.5
98.19888	0.2
99.00870	0.2
101.02446	0.8
113.02437	0.7
119.03499	0.2
121.02927	0.2
137.02443	0.2
173.04556	0.6
191.05540	0.8
192.06046	0.2
229.14386	0.2
250.85509	0.1
537.33160	0.3
553.37927	0.2
577.28473	0.2
663.35840	0.9
664.36163	0.5
677.49603	1.0
678.50732	0.3
681.37524	0.7
682.37244	0.4
723.38214	0.4
724.38477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67104	0.7
56.37520	0.9
57.03423	1.2
58.00610	1.1
59.01377	25.6
61.98824	8.7
68.62394	0.7
68.77172	0.9
69.03454	2.3
69.25365	7.0
71.01374	19.0
71.13963	0.8
72.99304	1.4
73.02950	2.1
73.87844	0.8
77.12498	0.7
83.01388	1.7
83.05019	1.7
85.02940	4.7
87.00884	3.4
89.02447	17.5
95.01375	1.8
96.96004	2.9
97.02948	8.3
97.06599	0.9
99.00878	0.9
101.02445	14.7
102.59953	0.8
111.08149	1.2
113.02447	7.1
119.03513	3.5
125.02451	6.4
125.09724	2.5
131.03493	1.3
137.09724	1.6
140.62492	0.8
143.03519	2.5
161.04523	3.0
163.11346	2.0
165.09155	1.0
165.12817	5.6
171.10286	6.5
173.04576	0.9
179.05663	4.6
181.12276	2.0
191.05560	1.2
197.11784	4.4
209.11858	3.5
211.13393	4.0
221.06705	1.8
227.12851	2.7
235.08211	6.6
247.20726	5.2
253.09067	1.5
273.18533	1.5
274.38708	0.8
277.09055	0.9
287.07773	0.9
291.19666	36.0
292.19907	2.9
305.08752	1.8
309.20706	100.0
310.21069	11.6
339.18152	0.9
397.13492	51.3
398.13855	4.9
415.14529	39.4
416.14749	3.6
585.55829	0.9
707.34985	8.7
708.35455	2.6
747.87714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42892	1.6
59.01104	2.9
59.01378	36.6
61.08448	1.8
71.01389	22.3
71.41780	2.3
85.02963	2.7
89.02439	27.2
101.02443	14.3
113.02441	12.9
113.69678	1.8
119.03497	17.7
143.03453	3.2
161.04509	3.6
179.05612	17.0
217.68637	1.8
225.22224	13.2
234.76749	2.0
246.00076	2.2
253.21741	2.2
271.22726	5.5
311.75885	1.9
326.26981	31.1
327.27200	2.0
550.48346	6.1
568.49292	5.5
730.54657	100.0
731.55145	27.9
766.52490	21.5
767.52539	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	767.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
59.01388	39.0
61.98832	28.2
71.01382	24.6
71.55923	5.4
72.99282	3.4
75.00880	100.0
75.01301	5.0
83.01400	7.3
85.02972	10.3
87.00896	9.6
89.02451	18.2
93.03461	12.0
95.05009	3.4
96.96019	12.6
97.02936	6.2
97.06634	3.7
101.02432	19.9
113.02464	10.5
119.03463	5.3
120.35933	3.4
123.04496	2.9
123.77544	3.0
125.02466	6.5
125.09737	4.4
133.02960	6.2
134.03697	6.1
135.04463	4.8
139.11317	5.5
161.04491	4.2
163.11249	4.2
165.12863	7.9
171.10277	10.7
173.04543	29.5
174.24353	3.2
178.02623	4.9
179.05566	5.9
181.12476	3.3
191.05655	12.0
209.11844	36.5
222.88603	3.2
235.08189	4.8
247.20554	6.5
253.09006	3.6
265.21857	3.9
268.41635	3.1
275.09357	12.7
285.04114	5.4
291.19656	50.5
292.20212	4.2
293.21237	20.2
309.20703	92.5
310.21140	8.1
319.97876	3.6
397.13541	46.1
398.13641	4.7
415.14594	48.8
449.14374	7.8
607.26044	8.2
707.35114	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	765.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
61.98803	0.4
63.96239	1.8
69.92078	1.3
69.92492	1.4
71.01379	7.6
73.02950	1.7
78.98592	6.6
79.95734	14.4
80.96514	79.2
81.03451	1.2
82.96095	1.7
87.00881	3.1
94.98086	20.6
96.95995	1.2
97.02955	2.1
98.19872	0.6
99.00865	0.8
101.02429	3.0
106.98120	3.2
113.02480	0.7
122.97572	3.6
125.02458	3.3
127.03989	1.0
128.58253	0.5
134.97595	5.3
135.55075	0.4
136.99130	1.4
148.99155	5.8
149.76767	0.5
152.98628	6.0
164.98615	14.4
167.00252	0.7
169.13847	0.5
179.00247	0.5
183.13896	3.2
187.34906	0.6
188.98647	0.6
206.99692	3.0
225.00722	23.6
226.01125	1.4
255.23253	2.7
302.72006	0.5
440.76678	0.7
509.16867	3.5
537.27405	1.1
732.52789	0.6
765.40894	100.0
766.41217	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	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
63.96239	2.1
69.03462	0.7
69.95618	1.9
71.01380	8.0
72.99293	0.4
73.02957	1.8
78.98589	7.3
79.95734	12.4
80.96516	80.0
81.03452	0.9
85.02947	1.8
87.00872	3.1
94.58994	0.5
94.98083	16.7
96.96004	1.2
97.02954	1.8
98.26865	0.4
99.00874	0.8
101.02456	3.0
106.98094	3.0
113.02532	0.5
115.91665	0.4
122.97571	3.7
125.02457	3.6
134.97580	6.0
136.99150	1.2
142.70514	0.4
148.99142	6.7
150.97087	0.4
152.98627	7.8
164.98621	14.0
165.98825	0.4
167.00215	0.6
183.13869	2.9
188.98569	0.5
206.99670	3.4
208.92308	0.4
225.00731	23.1
226.01106	0.8
236.50146	0.4
246.49239	0.5
255.23323	1.8
277.67969	0.5
494.15744	0.5
509.16971	1.9
537.27484	1.5
730.54858	0.5
765.40961	100.0
766.41315	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.3
59.01378	17.0
61.98816	1.8
66.42213	1.0
69.03429	1.1
69.23544	8.1
71.01380	15.1
71.05039	1.8
72.99301	1.6
73.02917	2.2
80.02640	0.9
81.03455	1.2
83.01382	1.2
83.05043	1.0
85.02956	4.2
87.00868	2.7
89.02442	10.9
93.03499	1.7
95.01343	1.3
95.05032	1.1
96.95998	10.3
97.02959	2.1
101.02433	10.3
109.06577	8.5
111.04504	2.6
111.08161	1.4
113.02430	5.4
119.03501	3.5
123.08165	2.1
125.02439	3.5
127.07645	1.2
143.03493	1.6
143.10747	1.5
145.06578	2.0
151.03922	0.9
161.04501	1.6
167.10722	1.1
171.10132	1.1
173.04523	2.9
177.62073	0.8
179.05539	2.8
179.10754	1.0
191.05597	3.6
195.13870	2.1
200.06841	0.9
235.08195	3.7
245.19031	4.7
253.09254	2.2
287.16275	1.4
289.18082	100.0
290.18433	10.9
305.08862	1.2
307.19156	9.7
326.56146	1.0
397.13464	47.2
398.13974	4.2
415.14526	23.4
416.14713	1.8
456.13589	1.1
496.95361	0.8
687.32190	4.5
693.68140	0.9
705.33264	1.0
714.07727	0.8
765.33704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
58.00589	1.8
59.01101	2.0
59.01375	20.4
61.98824	4.8
62.64804	1.3
71.01384	15.1
71.05013	2.4
71.56351	1.9
73.02932	2.7
75.05780	1.4
80.02704	1.5
81.03428	1.6
83.01370	2.5
85.02948	5.0
87.00869	4.6
88.23210	1.3
89.02443	14.9
93.03455	1.8
96.95998	10.9
97.02931	2.7
98.95599	1.5
99.00882	1.7
100.24278	1.3
101.02432	12.9
109.06577	7.4
111.04498	4.3
113.02448	6.3
116.37234	1.3
118.86638	1.2
119.03471	3.4
120.05711	1.3
123.08176	1.7
125.02427	4.0
143.03490	3.6
147.08075	1.3
161.04510	2.7
167.10745	1.9
171.10196	1.5
173.04510	6.8
179.03424	1.3
179.05602	3.0
191.05545	5.2
195.13858	2.6
209.11697	1.7
235.08131	4.9
245.19110	4.6
287.07672	2.9
287.16431	2.5
289.18082	100.0
290.18478	10.0
307.19162	9.7
312.71143	1.2
397.13461	43.2
398.13739	2.8
415.14526	26.7
416.14651	2.9
426.11536	1.7
687.32385	5.0
688.33026	2.5
765.35864	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03442	2.6
59.01375	37.4
61.98824	42.8
64.95070	1.0
68.99836	1.1
69.03468	1.8
71.01376	29.6
72.99298	3.8
73.02930	4.4
81.03442	3.1
83.01376	5.6
83.05008	1.6
85.02946	6.8
87.00872	5.8
89.02441	27.3
93.03443	2.2
95.01371	2.1
95.05013	3.1
96.95990	6.9
97.02927	6.1
97.06578	3.7
99.00832	1.8
100.75533	1.0
101.02435	22.7
109.02946	1.8
109.06575	3.2
111.04505	3.4
113.02448	11.9
113.06054	3.8
119.03520	6.8
123.04509	3.6
123.08165	1.8
125.02463	7.4
125.09693	7.5
131.03539	1.3
135.08156	2.3
137.09691	3.4
141.01994	1.2
141.12863	1.2
143.03467	3.1
149.06001	1.6
151.11305	1.5
161.04523	4.4
161.09747	1.5
162.10420	1.6
163.11276	7.7
165.12848	2.5
171.10170	1.6
173.04494	2.4
174.88390	1.2
179.05600	5.0
179.10843	1.3
181.12302	3.6
185.11865	6.8
191.05557	3.6
191.14394	8.6
207.10211	5.4
209.11803	25.3
210.12115	2.1
211.13358	4.5
221.06572	2.1
225.11304	3.8
227.12791	2.8
235.08199	7.2
237.11272	2.2
245.19086	18.1
246.19249	1.3
253.09193	3.2
263.20026	1.4
271.16867	3.1
281.20868	1.1
289.18076	91.4
290.18353	9.1
305.08673	1.8
307.19122	100.0
308.19357	11.9
323.09851	1.5
362.81207	1.3
397.13467	66.9
398.13733	5.9
415.14554	51.0
416.15027	5.1
577.15594	1.5
607.25897	3.0
687.32324	3.1
705.33032	9.3
706.33453	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	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.1
59.01378	36.1
61.76869	1.3
61.98831	9.1
67.01890	1.9
69.03453	3.9
69.21076	9.8
69.21478	3.1
71.01002	2.5
71.01382	31.8
72.99313	3.1
73.02951	3.7
81.03471	3.0
83.01398	5.9
83.05038	2.1
85.02931	8.8
87.00887	6.6
89.02441	24.9
95.01373	2.5
95.05041	2.7
96.96018	8.7
97.02967	7.4
97.06589	4.7
99.00904	3.0
101.02438	26.1
101.95074	1.3
106.86974	1.3
109.06583	2.6
113.02459	12.7
113.06077	1.7
119.03491	8.2
119.04966	2.0
123.04526	4.8
125.02451	8.3
125.09729	6.2
135.08134	1.6
137.09702	4.1
143.03520	4.1
161.04549	3.7
163.11279	8.3
165.12885	1.9
167.10722	1.8
171.10280	3.0
173.04620	2.5
179.05579	7.8
181.12299	3.0
185.11821	7.6
191.05641	4.8
191.14413	8.9
197.11862	1.5
207.10225	4.8
209.11827	23.8
210.12299	2.7
211.13396	4.5
221.06674	1.5
225.11349	3.7
235.08229	6.6
237.11412	1.3
245.19089	20.3
246.19519	2.4
253.09297	3.3
271.17047	2.4
287.07849	2.6
289.18088	93.0
290.18384	10.2
305.08676	1.7
307.19141	100.0
308.19595	11.2
309.20706	1.5
355.56152	1.3
397.13504	57.9
398.13824	6.1
415.14542	48.2
416.14917	4.3
553.60095	1.4
705.33313	9.9
765.39801	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	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03447	2.4
58.00591	1.3
59.01376	32.9
61.98819	2.6
69.03449	2.5
71.01380	30.9
72.99302	3.6
73.02953	2.8
73.62566	0.7
79.52914	0.8
81.03452	3.3
83.01394	4.4
83.05041	2.6
85.02944	5.9
87.00870	6.4
89.02441	23.4
93.03461	1.1
95.01392	2.1
95.05001	2.6
96.96007	2.7
97.02940	5.7
97.06587	4.8
98.20644	2.0
99.00881	2.1
99.04489	0.8
101.02441	20.4
109.06540	1.1
111.87721	0.7
113.02446	10.3
119.03504	5.9
121.06618	1.2
123.04509	3.3
123.08132	2.3
125.02435	7.3
125.06073	1.3
125.09715	7.0
131.03516	0.9
135.08156	1.7
137.09702	4.5
141.01906	1.6
141.09280	0.8
141.12823	1.6
143.03488	4.1
161.04564	5.7
163.11256	8.9
164.11687	1.0
165.12828	2.4
173.04466	1.1
177.09160	0.8
179.05650	6.3
179.10754	1.1
181.12361	1.8
183.13730	1.0
185.11775	7.8
187.11389	0.9
191.05597	1.9
191.10774	1.1
191.14386	10.7
207.10295	4.2
209.11827	22.9
210.12119	1.4
211.13351	3.1
217.15875	1.4
221.06654	1.5
225.11308	2.8
227.12840	1.4
235.08211	9.5
237.11258	2.1
245.19087	17.5
246.19363	1.7
253.09224	3.5
263.07867	1.5
263.20087	3.9
271.17056	2.9
275.84586	0.8
281.21109	2.1
285.30487	0.8
287.07672	1.3
289.18076	82.7
290.18338	6.1
297.30176	0.8
305.08856	1.8
307.19122	100.0
308.19528	10.5
323.09741	1.9
397.13483	59.1
398.13757	5.0
415.14557	46.5
416.14749	4.5
607.25549	1.4
608.25354	1.0
687.32526	2.3
705.33038	9.8
706.34192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
60.99303	17.5
61.98814	0.9
70.05797	1.5
71.01395	1.7
87.00867	3.5
88.00404	3.8
88.01195	0.6
88.98801	100.0
89.02438	24.6
89.99132	1.1
98.20604	0.3
99.61439	0.3
101.02447	0.4
119.22025	0.3
126.39424	0.3
195.28252	0.3
207.10295	1.3
211.13374	1.1
225.11353	0.4
239.05893	0.4
277.21722	1.2
278.22110	0.4
323.33258	0.3
323.55206	0.3
397.13342	2.0
404.13770	0.3
404.80737	0.3
415.14740	0.7
432.64572	0.4
465.51187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29918	0.3
59.01379	2.0
60.00908	0.3
60.99309	18.3
61.98811	0.5
68.99564	1.4
71.01392	2.7
71.55569	0.3
71.55957	0.2
73.02954	0.3
87.00879	7.1
88.00409	3.2
88.01252	0.6
88.98811	100.0
89.02445	42.1
89.99152	1.2
90.02817	0.6
101.02460	0.9
109.06578	0.6
112.98554	1.4
113.02444	0.4
119.03526	0.3
138.04996	0.2
163.11186	0.2
171.10303	0.4
207.10272	2.7
225.11346	1.2
235.08328	0.3
253.09271	0.7
277.21716	1.7
350.98502	0.3
361.60037	0.2
397.13507	4.3
398.13995	0.5
415.14481	1.1
433.21362	0.3
441.34177	0.2
461.20331	0.5
651.45862	0.2
746.63538	0.3
751.63055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.8
57.99510	1.6
58.00590	2.7
59.01381	53.6
61.98825	11.1
69.03455	4.6
71.01379	48.2
72.99306	7.7
73.02945	5.7
75.00867	3.5
80.96514	2.8
81.03461	2.2
83.01389	5.3
83.05018	3.4
85.02951	10.2
87.00858	11.1
87.54089	2.0
89.02446	32.7
93.03453	2.5
95.01372	2.9
95.05034	3.3
96.95996	9.9
97.02949	6.6
97.06590	12.2
99.00922	3.5
101.02435	30.4
109.06579	2.6
111.08179	3.8
113.02460	12.1
119.03519	10.7
123.04502	2.0
125.02440	9.4
125.09743	3.4
135.04486	1.7
135.08179	2.0
137.09698	2.3
143.03516	4.5
148.55150	1.6
149.09676	2.8
151.11299	12.3
153.09213	2.1
153.12895	2.2
155.10785	3.1
159.78210	1.5
161.04530	6.2
163.11281	4.0
165.12833	16.4
167.10762	2.4
167.67421	1.6
169.12317	3.2
171.10260	1.7
173.04581	3.3
177.09236	2.1
177.12778	2.3
179.05637	9.0
179.10667	2.7
181.12347	15.0
183.13892	4.7
191.05650	2.4
191.10745	7.7
191.14514	2.0
209.11829	47.8
210.12163	2.5
211.13358	3.0
221.06705	1.9
227.12904	21.3
235.08293	10.0
245.19066	11.7
246.19443	1.9
253.09232	3.0
263.07837	2.8
263.20187	17.6
271.17160	2.3
274.43845	1.9
279.19586	2.9
279.32294	2.0
289.18091	21.3
305.08716	2.3
307.19131	100.0
308.19553	11.7
309.20483	2.0
350.93497	1.7
397.13470	65.3
398.13870	6.1
405.80518	1.9
415.14508	42.3
416.14880	4.0
473.70135	1.7
593.24139	2.6
607.26050	66.3
608.26410	9.5
622.24762	5.8
647.72424	1.7
687.32489	3.5
705.33264	32.7
706.33966	3.8
765.33429	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	763.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82124	0.5
69.34362	2.8
69.34795	1.4
78.95901	5.5
80.96489	0.7
86.43115	0.5
98.19891	0.7
110.98539	4.0
115.77194	0.5
163.11375	0.6
166.27481	0.6
167.01135	1.9
183.01273	1.0
185.02180	2.7
255.23293	100.0
256.23636	8.2
339.19812	3.0
340.20334	0.6
341.91486	0.5
423.25177	46.9
424.25586	4.7
582.07904	0.5
763.40314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
59.34768	0.2
59.90290	0.2
61.98828	0.4
71.01396	0.4
77.66614	0.2
84.95135	2.0
87.00879	100.0
88.00408	3.3
88.01200	1.3
89.02438	0.4
98.19857	0.5
101.02467	0.5
107.55476	0.2
208.50021	0.2
229.61566	0.2
235.14967	0.2
256.05026	0.2
277.21747	1.4
278.22162	0.2
390.73648	0.2
397.13452	2.6
398.14142	0.2
410.58942	0.2
415.14600	0.8
483.14059	0.2
708.29877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17873	1.4
71.01362	6.0
71.47758	1.8
73.02936	2.0
73.71147	1.5
76.70103	1.4
78.98569	4.1
79.95741	13.4
80.96513	84.3
85.02951	3.7
87.00857	3.5
89.34758	1.3
92.10968	1.3
94.98081	18.1
97.02927	1.7
98.20206	2.4
101.02420	1.6
106.98055	3.9
122.97585	4.2
125.02380	2.5
134.97557	4.0
136.99112	2.0
148.99142	7.4
152.98621	6.9
164.98634	10.9
181.12151	1.5
206.99632	3.2
225.00719	23.8
225.11258	1.9
278.98267	1.5
294.57779	1.4
507.15198	2.4
547.56281	2.1
763.39362	100.0
764.39850	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46815	1.0
57.03431	1.9
58.00589	2.2
59.01376	28.6
60.71348	1.1
61.98824	8.5
66.82581	1.1
71.01379	21.0
71.05027	6.6
71.56010	1.3
72.99277	2.1
73.02936	4.4
75.29039	1.1
81.03439	1.9
83.01398	2.3
85.02943	7.5
85.25258	1.0
87.00897	6.1
88.98759	1.1
89.02444	16.2
93.03455	2.3
95.01398	1.9
95.05006	4.1
96.18879	1.1
96.95986	6.5
97.02916	1.5
99.00854	1.5
101.02445	16.8
109.02925	1.7
109.06563	3.9
111.00899	1.1
111.04539	1.8
112.98589	2.1
113.02440	9.7
118.02220	1.3
119.03503	5.8
125.02431	5.0
127.07561	1.3
131.03424	1.8
141.02066	1.3
143.03467	3.5
161.04521	3.3
165.09172	3.4
171.10371	1.4
173.04527	2.9
179.05553	5.3
189.12837	4.2
191.05600	6.2
195.13885	6.5
205.15961	3.3
209.11784	1.3
211.13342	1.5
221.06676	1.0
223.13309	4.3
235.08202	6.3
243.17476	3.8
249.14948	3.3
253.09244	2.5
275.20166	2.3
284.03281	4.2
287.16519	28.4
288.16776	3.0
293.21204	100.0
294.21521	10.0
305.17560	61.1
306.18030	7.8
311.05719	1.3
397.13446	47.7
398.13843	3.9
415.14566	47.6
416.09933	1.1
416.14627	5.6
552.09210	1.3
615.54083	1.2
691.35229	4.0
703.31854	3.1
745.23389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65047	0.1
59.01373	0.6
61.98822	0.3
62.06647	0.1
68.99570	0.2
71.01386	0.3
82.95434	0.2
84.60582	0.2
84.95127	1.6
87.00880	100.0
88.00405	3.3
88.01212	1.4
89.02464	0.4
101.02470	0.3
109.83396	0.1
112.98565	0.2
113.02415	0.2
125.02436	0.2
139.90341	0.1
147.19603	0.1
161.04449	0.2
169.80856	0.1
177.70799	0.1
228.53535	0.1
235.08281	0.2
277.21747	0.7
376.50256	0.2
397.13483	2.3
398.13782	0.2
415.14542	0.7
473.84119	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98830	3.7
62.21750	0.9
66.95911	3.0
68.95622	0.9
69.03463	1.0
71.01384	6.4
73.02937	1.0
82.95420	100.0
83.01411	0.9
84.00911	33.7
84.95123	44.5
85.00441	2.2
85.01254	1.1
85.02956	1.4
87.00890	1.5
89.02438	5.2
92.03693	0.8
97.02963	1.1
101.02448	4.5
106.32578	0.7
106.77938	0.7
113.02465	1.8
119.03478	2.0
125.02448	2.7
143.30322	0.7
161.04538	1.4
179.05598	1.2
235.08266	3.1
261.80170	0.8
277.21725	13.4
278.22241	0.9
284.64444	0.8
397.13464	20.2
398.13611	0.8
415.14648	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	759.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01379	6.8
61.98826	2.7
67.01882	1.2
71.01369	4.3
73.02942	1.0
83.01414	0.5
83.05034	0.7
85.02950	1.8
87.00894	0.6
89.02441	2.0
93.03471	4.2
93.71107	0.5
95.01385	0.6
96.96007	7.3
97.02954	4.0
97.06596	0.5
98.19884	1.3
99.00883	0.6
101.02431	3.0
111.04537	1.1
113.02452	2.0
119.03419	0.7
137.02444	0.8
137.09709	2.4
143.03555	0.6
161.04533	1.3
171.10289	6.4
173.04555	7.6
174.04778	0.5
177.12860	0.8
183.13916	15.7
184.14319	0.6
185.11899	0.6
191.05603	4.2
195.13893	16.2
196.14200	1.2
209.11801	1.7
211.13387	3.1
213.14951	100.0
214.15282	6.8
221.11685	0.6
227.12793	0.8
229.14847	0.6
247.20758	0.7
253.09283	21.5
254.09659	1.1
273.18713	1.0
280.25430	0.6
291.19653	9.3
309.20703	41.4
310.21237	3.5
415.14801	0.7
447.22171	0.7
527.28656	1.3
541.30341	1.8
545.29700	2.1
550.18750	0.6
623.28729	0.6
715.35626	3.0
716.35406	1.2
770.26770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71857	26.2
61.98819	89.0
78.95910	77.3
116.60359	29.6
117.03474	27.4
120.74339	29.8
127.74157	30.1
163.41304	31.6
206.54922	29.7
225.11142	52.8
229.73322	32.9
230.23148	36.0
334.70581	30.6
369.94757	34.3
721.42932	57.3
757.39740	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	759.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07403	0.3
59.01394	0.6
61.98825	0.8
66.33427	0.2
66.95923	3.0
71.01374	1.0
71.55570	0.4
80.91688	0.8
82.95422	100.0
83.02518	0.3
84.00910	5.0
89.02448	0.5
91.34509	0.3
101.02418	0.5
102.35786	0.3
108.84495	0.3
110.25636	0.3
125.02441	0.3
164.50914	0.3
235.08250	0.5
277.21735	2.0
367.39584	0.3
397.13489	3.8
415.14587	1.3
699.33374	1.8
712.32666	0.3
783.04840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	9.0
58.97699	0.2
59.01380	0.4
61.98836	0.3
65.50078	0.1
70.02975	4.5
71.01383	0.3
71.55724	0.3
72.00902	3.1
75.84985	0.2
79.95758	0.2
85.02969	0.2
89.02441	0.3
91.05527	2.9
91.06065	0.3
93.03513	0.4
96.96005	6.3
101.02424	0.2
103.05502	0.2
115.79243	0.2
119.05037	0.4
121.95927	0.2
135.04514	0.5
147.04512	20.1
148.04832	1.1
162.09241	0.8
164.07153	54.2
165.07500	2.8
173.04527	0.4
191.05544	0.8
203.03505	0.2
206.08203	100.0
207.08540	6.5
207.10504	0.3
208.08606	0.2
213.14792	0.2
235.59761	0.2
241.14470	0.3
250.07179	1.2
402.78397	0.2
408.69708	0.2
415.14120	0.2
474.74469	0.2
639.28656	0.3
705.34760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	9.2
59.01387	0.2
61.98824	0.4
65.59553	0.2
66.57716	0.2
69.60101	0.8
69.60504	0.4
70.02975	4.6
71.01398	0.2
72.00908	2.5
74.11499	0.2
83.00887	0.2
91.05525	2.9
93.03461	0.2
96.50043	0.2
96.95989	1.4
98.20641	0.2
98.67366	0.1
103.05512	0.3
115.42545	0.2
119.05051	0.3
135.04480	0.4
138.43730	0.2
147.04518	20.6
148.04836	1.1
151.78239	0.2
153.73950	0.2
162.09209	0.6
164.07152	56.3
165.07497	2.9
171.38058	0.2
179.66753	0.2
191.05629	0.4
201.00227	0.2
206.08202	100.0
207.08540	5.5
250.07158	1.6
742.81689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03449	1.4
58.00588	1.2
59.01380	100.0
60.01719	1.0
61.98833	1.7
66.66895	0.6
69.03460	1.4
69.17166	5.7
71.01380	32.1
72.99310	1.9
73.02946	10.6
80.90823	0.5
81.03490	0.8
83.01382	3.4
83.05038	0.7
84.02201	0.6
85.02949	12.3
86.03289	0.6
86.97991	0.5
87.00895	2.0
88.22277	0.6
89.02438	13.0
93.03477	1.0
95.01380	4.4
96.96010	7.0
97.02967	1.6
98.95600	0.6
99.00891	1.5
101.02446	14.3
108.02152	0.6
111.04485	0.6
113.02451	26.4
119.03528	4.3
124.01662	1.6
125.02443	4.0
131.03517	1.2
133.02940	0.6
138.82784	0.5
143.03510	3.9
149.04633	0.7
161.04533	7.4
167.89464	0.5
173.04611	1.6
177.09229	0.7
179.03502	0.7
179.05685	3.1
179.10971	0.7
191.05595	3.7
207.10355	0.6
209.11826	2.9
225.11446	0.7
253.09338	1.3
255.12479	0.6
280.28598	0.5
291.19574	0.7
309.20844	0.8
310.20966	1.3
331.24371	0.6
449.29135	0.7
539.30011	1.1
557.30621	0.7
565.28198	0.7
575.32526	0.8
593.33246	10.6
594.33801	2.1
611.34302	34.5
612.34711	7.0
629.35315	11.3
630.36029	1.7
653.35388	9.4
654.35956	2.0
671.36523	11.7
672.36810	3.2
689.33899	0.7
713.39520	1.9
731.86926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
57.03433	2.8
58.00590	1.5
59.01380	59.3
69.03465	1.9
69.69293	0.6
71.01382	40.8
72.99299	2.1
73.02950	8.7
75.00909	1.1
81.03478	0.8
83.01383	6.2
85.02953	21.4
86.00101	1.1
87.00867	3.0
89.02440	10.2
89.66445	0.6
93.03469	0.7
95.01380	4.8
96.95995	2.2
97.02952	2.4
98.20782	0.9
99.00883	4.1
101.02441	23.0
105.97735	0.6
108.17538	0.6
111.00879	3.1
112.01693	1.1
113.02450	18.0
119.03494	3.0
124.01659	1.7
125.02448	4.5
129.01965	1.4
137.02444	11.8
140.11710	0.7
143.03526	3.8
159.03033	1.3
161.04520	3.1
179.07072	0.9
191.05591	1.5
269.33682	0.6
299.25958	1.6
345.30078	4.6
380.27170	0.6
489.34241	4.1
507.35275	7.3
508.35873	1.2
607.30536	0.7
615.36951	1.2
651.39581	100.0
652.39923	20.3
669.40662	58.4
670.40961	12.3
687.58856	0.8
693.24591	0.8
708.65717	0.8
711.41718	44.2
712.42126	10.3
755.23254	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	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56429	0.6
55.01857	0.8
57.03435	1.9
58.49847	0.6
59.01374	22.0
61.98814	2.8
70.70647	1.8
71.01381	6.0
71.05031	2.1
73.02935	1.1
81.03481	0.8
83.01359	0.9
83.05006	1.7
85.02938	0.9
87.00873	1.1
89.02454	2.2
93.03462	0.8
94.80288	0.8
95.04971	0.9
96.95989	1.5
97.02943	3.7
97.06576	3.1
99.00878	15.7
100.12511	0.8
101.02448	3.8
109.06598	2.1
113.02429	1.8
119.03452	1.0
123.08117	1.6
125.09707	6.7
126.07971	0.7
142.02737	1.0
153.12938	0.8
163.11298	10.1
171.10268	7.2
173.04431	0.8
179.05605	0.9
179.10803	1.0
181.12321	16.9
182.12604	1.2
183.13928	3.9
191.05580	1.3
195.13872	2.5
197.11919	1.6
199.13396	11.8
200.13765	1.0
201.11316	2.9
207.10248	28.3
208.10567	1.6
209.11800	14.6
210.12219	1.1
211.13411	2.0
223.13359	1.4
225.11308	40.1
226.11575	1.8
227.12839	2.4
235.08313	0.9
243.12354	24.9
244.12590	1.8
253.09348	5.3
272.36905	0.8
275.20193	2.7
285.04050	1.3
291.19516	4.6
293.21191	10.1
294.21524	1.3
299.14783	0.8
309.20615	6.2
310.21100	0.8
327.21600	0.8
340.94669	0.7
351.67056	0.7
353.45386	0.7
461.07101	1.0
461.20233	2.5
479.21628	5.9
480.21564	1.0
737.41174	1.7
755.42175	100.0
756.42493	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80183	0.5
57.03440	1.8
59.01373	3.1
60.41449	0.5
61.86659	0.6
61.98832	1.0
69.22295	3.2
69.22714	2.3
71.00758	0.5
71.01374	1.4
73.02942	0.6
73.18781	0.5
80.27059	0.6
85.02954	2.4
87.00877	0.7
96.96015	14.4
101.02435	0.7
108.02174	1.5
111.04514	0.9
111.08191	0.8
113.02415	0.6
121.03004	0.8
125.02460	0.9
135.04561	1.0
135.08147	1.2
149.06056	3.8
150.06866	27.2
151.07245	1.7
152.01163	1.2
153.09209	0.8
155.10742	0.7
157.08661	2.6
161.02405	0.6
162.06860	1.1
163.07655	17.4
164.08452	4.2
167.03392	0.8
169.12334	1.4
171.10295	1.7
173.04529	2.4
176.08409	1.5
179.10779	8.5
191.05544	2.6
215.12950	0.5
227.12845	0.8
263.20071	0.6
279.23267	1.8
281.21118	0.7
283.19064	0.6
298.04666	1.0
303.56244	0.6
325.23859	3.3
327.21774	2.7
429.69577	0.6
444.32211	1.1
445.32907	1.1
446.30240	4.7
447.11325	2.1
447.30582	0.9
460.32043	3.4
461.32721	6.9
462.33054	2.2
470.30334	0.7
488.31494	6.2
489.31961	1.9
506.32318	8.7
507.33203	17.0
508.33356	2.9
635.24988	3.7
651.38544	0.8
665.25946	1.3
669.38745	3.4
711.39575	100.0
712.40009	24.6
755.30542	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	755.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.3
61.98832	21.2
65.00323	6.3
71.01379	8.8
73.02949	3.2
76.59130	2.6
77.74935	2.7
79.95739	4.6
81.03470	10.2
83.01377	5.3
85.02956	4.8
93.03450	6.3
95.01385	4.3
96.95386	5.1
96.96014	96.9
97.02940	4.4
99.04516	4.0
101.02441	4.9
107.01403	6.2
109.02955	5.0
111.04510	3.5
113.02486	3.7
121.02993	17.8
123.04527	5.8
125.02444	29.3
129.00990	2.8
133.91498	2.5
137.02426	8.0
138.03232	4.4
139.04004	5.8
142.03159	2.7
149.02466	3.0
150.03226	2.8
151.00404	16.6
159.04532	5.0
161.02377	3.7
163.00359	8.0
165.01920	17.9
166.02655	2.8
167.03470	34.6
171.10258	3.5
172.05284	8.6
173.04510	10.6
173.06058	7.3
177.01947	4.0
178.99774	3.2
179.03445	6.1
187.04010	2.9
190.70682	2.3
191.05592	19.2
193.01436	17.2
197.04491	6.3
198.03239	2.9
199.03934	5.5
209.04495	9.5
209.11916	5.7
215.12854	16.2
223.02554	4.0
227.03482	18.5
241.12259	3.2
269.04608	4.5
284.02991	2.9
285.03958	2.9
295.09683	3.7
298.04736	6.6
309.03986	7.7
313.03357	3.7
321.04001	7.5
322.04816	9.3
323.05557	11.7
327.05060	8.3
331.79800	3.4
351.05103	17.1
353.06793	4.0
357.13733	2.8
365.06860	4.9
381.06213	5.5
397.13031	5.2
398.13315	3.0
446.08350	5.3
467.20731	4.0
579.25311	3.4
593.23969	10.7
635.24951	100.0
636.25696	19.7
665.26105	70.4
666.26141	16.7
677.25714	8.4
701.25659	4.0
711.40765	4.8
719.27734	3.4
737.28961	5.5
755.29041	52.3
756.29211	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	754.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
61.98827	100.0
62.98533	0.2
66.40887	0.1
71.01383	0.1
79.95738	0.1
87.00932	0.1
96.96020	0.3
97.96104	0.1
101.02461	0.2
113.02451	0.1
173.04567	0.2
191.05603	0.2
209.11835	0.3
223.12668	0.1
269.04483	0.7
270.04886	0.5
293.21268	0.5
294.21521	0.7
295.21936	0.4
296.22119	0.2
313.03796	0.1
322.04056	0.1
397.13425	0.2
399.14111	0.2
416.14703	0.2
516.27545	0.1
635.24817	0.1
665.27301	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98828	100.0
62.13914	0.1
62.98527	0.2
63.61171	0.1
71.01394	0.2
89.02448	0.1
96.96030	0.1
99.00985	0.1
101.02472	0.1
113.02493	0.1
119.92904	0.1
127.87461	0.1
145.02921	0.1
173.04556	0.1
191.05632	0.1
195.13983	0.1
269.04611	0.3
293.21201	0.5
294.21585	0.5
295.21841	0.4
296.22211	0.2
299.00601	0.1
398.13980	0.2
399.13998	0.1
415.14249	0.1
416.15103	0.1
417.15482	0.2
418.15454	0.1
704.20392	0.1
754.37152	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.3
61.98843	6.0
65.04812	1.2
69.03443	5.0
70.45227	1.4
71.01366	6.1
71.03703	2.5
71.05016	2.5
75.00866	5.5
78.95908	2.0
85.02945	5.7
87.00863	2.3
88.98800	7.0
89.02413	2.4
96.96008	4.3
97.06580	1.3
97.51828	1.2
101.02448	3.2
111.00859	1.7
113.02438	5.1
125.02441	1.4
125.09731	2.2
134.64870	1.3
151.11293	3.0
153.12874	1.5
161.09697	3.7
171.10255	2.8
173.04468	2.5
179.10771	7.0
181.12444	1.3
191.05585	2.5
195.13863	8.3
197.10007	2.3
197.11807	40.8
198.12138	1.9
209.11850	7.6
223.13341	4.1
225.11322	2.8
227.12889	2.3
241.10686	1.8
253.09239	3.9
267.50558	1.3
275.01788	1.5
275.20084	4.0
276.20303	1.4
283.02344	1.7
284.03278	5.7
285.04010	32.2
286.04364	3.4
289.18079	1.7
291.19601	1.8
293.21228	19.1
297.04062	1.9
307.18991	2.4
477.19241	1.7
498.82898	1.3
577.24493	5.8
578.25262	1.5
625.96075	1.5
753.29126	4.7
753.40576	100.0
754.40918	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	754.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98832	100.0
62.98539	0.2
70.22811	0.1
71.01403	0.2
71.55601	0.1
113.74815	0.1
133.14296	0.1
133.91405	0.1
213.08876	0.1
269.04611	0.2
293.21295	0.4
294.21570	0.5
295.21884	0.3
415.14520	0.1
417.15390	0.1
430.73743	0.1
441.28879	0.1
677.84418	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
57.03433	3.4
58.00588	2.7
59.01375	77.6
60.01689	1.4
61.98820	8.0
67.12186	1.0
69.03430	1.6
69.23965	10.4
69.58237	1.3
71.01379	54.9
72.01764	1.1
72.99297	3.9
73.02943	9.1
74.47014	1.0
79.95152	1.1
79.95710	1.6
83.01372	4.9
85.02953	23.2
85.95145	1.0
86.00065	1.4
87.00875	4.9
89.02441	24.0
93.03458	1.6
95.01372	7.3
95.73050	1.0
96.96018	3.5
97.02941	2.4
99.00869	6.1
100.88210	1.1
101.02437	34.0
102.02734	1.3
106.97491	1.2
111.00826	2.5
113.02448	25.1
119.03490	9.3
124.01588	1.2
125.02406	4.0
133.03006	1.2
140.45042	1.3
143.03430	3.5
159.02945	1.6
161.04532	4.0
173.04565	2.7
179.05722	1.2
191.05618	7.3
254.61769	1.1
437.25656	1.2
487.32648	7.3
505.33740	8.6
643.36884	1.1
649.37988	100.0
650.38446	17.9
651.37830	1.7
667.39032	61.9
668.39264	11.7
709.40106	46.4
710.40515	10.0
753.29523	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	753.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98533	0.2
57.03450	0.8
57.76886	0.2
59.01377	2.5
60.99314	0.6
67.01894	4.8
69.03452	0.9
69.31961	0.2
71.01386	3.2
71.55593	0.4
73.02933	0.2
81.03474	0.8
83.01385	0.2
83.05036	1.0
85.02949	0.9
87.00877	0.7
89.04002	0.4
93.03461	25.6
94.03802	0.6
95.01410	0.2
96.96041	1.5
97.43971	0.2
109.02960	0.7
111.00875	0.9
111.04524	4.7
113.02448	0.5
117.03458	1.4
121.02927	0.3
123.82234	0.2
127.04031	0.6
134.03743	16.4
135.04141	0.4
137.02458	4.5
147.04515	0.5
149.06099	1.2
155.03502	4.1
161.88457	0.2
163.04167	0.3
164.07175	0.9
173.04552	100.0
174.04881	4.2
178.02702	0.5
191.05627	9.4
192.05908	0.5
193.05060	14.7
194.05411	0.9
200.07150	0.2
206.08221	2.3
274.44250	0.2
353.08398	0.3
367.10324	36.7
368.10635	3.5
577.70990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.5
57.03441	5.1
58.00598	1.8
59.01377	65.1
60.01699	1.5
61.98821	1.9
65.82483	0.9
69.03442	1.2
71.01378	54.5
71.05006	1.0
71.55489	1.0
72.99287	1.9
73.02944	13.1
83.01397	7.4
85.02454	1.7
85.02948	26.2
86.00084	1.1
87.00872	3.1
89.02448	15.4
93.03410	0.9
95.01369	6.6
96.95998	2.9
97.02925	2.8
99.00865	5.7
101.02438	28.1
111.00843	2.7
113.01719	1.7
113.02448	25.5
117.20297	0.9
119.03509	4.8
124.01658	2.0
125.02480	4.6
132.06438	1.0
143.03474	2.5
154.10553	1.2
157.12344	1.1
159.02939	1.6
161.04590	5.5
173.04486	1.6
187.10693	0.9
191.05617	3.3
250.87500	1.0
291.99747	1.3
326.54190	0.9
343.28433	2.4
397.51584	0.9
487.32852	10.1
488.33084	1.5
505.33606	8.2
506.34158	1.2
568.81946	1.0
575.34637	1.0
601.36005	1.1
613.35449	1.6
633.38153	1.4
642.59473	1.0
649.37988	100.0
650.38324	18.7
651.39423	3.4
667.39056	57.6
668.39471	13.4
669.40912	1.5
693.40802	2.3
709.40137	37.6
710.40454	9.3
711.40662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03451	5.8
58.00581	2.2
59.01376	98.4
61.98813	6.7
65.54806	1.0
66.14082	0.9
69.03446	1.1
71.01377	71.8
71.05032	1.4
72.01694	1.2
72.99311	6.1
73.02940	12.7
81.03442	1.2
83.01376	11.2
83.05032	1.5
83.45202	1.1
85.02946	29.9
87.00876	7.5
89.02444	22.6
93.03426	2.6
95.01393	8.1
96.96010	10.2
97.02924	4.5
97.06586	1.4
99.00861	6.9
101.02438	37.3
111.00883	3.9
111.19473	1.1
113.01718	2.3
113.02445	32.6
115.00355	2.0
119.03498	11.2
125.02450	5.6
129.01886	2.0
131.03502	1.6
133.02840	1.3
133.05113	1.1
133.06602	1.5
135.04491	1.2
143.03490	5.5
155.03531	1.0
159.03015	2.9
161.04547	8.6
173.04529	5.0
179.05592	2.4
191.05652	7.2
193.03363	1.1
209.11717	1.8
229.16481	1.9
243.10860	1.3
268.03647	2.0
269.04468	1.5
271.13406	6.3
281.24707	2.1
311.16660	1.7
341.17331	5.8
341.26843	2.7
485.31232	6.8
487.32553	2.1
503.24911	1.9
503.32156	9.4
504.32166	1.5
621.18237	1.2
631.37177	7.1
647.36420	100.0
648.36737	18.7
649.38141	7.5
649.49011	1.2
650.38208	1.8
663.04492	1.2
665.37488	71.8
666.38049	14.7
667.39185	2.4
691.38794	3.2
707.38531	40.1
708.39191	7.9
709.39771	4.7
710.40582	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	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49266	1.1
54.34750	0.9
55.01877	1.1
57.03445	2.0
58.00595	1.6
59.01379	35.6
61.98833	5.3
68.99799	1.1
69.03458	1.8
70.14705	4.1
71.01379	30.3
71.01775	1.7
72.99310	1.6
73.02957	4.0
75.00896	1.5
83.01384	2.5
83.47752	0.9
85.02945	8.7
87.00864	5.5
89.02439	22.7
93.69823	0.8
95.01379	2.5
97.02951	4.1
99.00877	2.3
101.02436	22.7
109.06582	1.2
111.04499	1.8
113.02454	13.7
113.09711	6.6
115.06097	0.9
119.03487	7.0
121.10217	2.2
125.02418	7.1
125.38217	1.2
133.05022	1.2
143.03505	4.0
161.04559	5.3
171.10237	7.9
173.04539	1.1
175.02522	1.0
179.05606	4.2
179.10818	1.1
183.13861	5.0
194.60583	1.0
195.13867	2.0
211.13338	1.8
216.32213	1.1
221.06682	2.5
223.13318	2.5
235.08218	9.0
253.09193	3.2
255.78993	0.9
275.20074	9.7
284.03107	1.5
287.07669	1.6
293.21201	100.0
294.21530	10.6
305.08716	2.7
315.07639	1.0
323.09717	1.4
337.07007	2.8
397.13467	98.5
398.13721	8.3
415.14529	44.1
416.14868	4.5
575.22870	16.8
576.23248	3.5
691.35468	6.6
692.34412	1.1
751.26135	5.6
752.26849	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03437	1.4
58.00579	1.4
59.01382	34.4
60.89339	0.5
61.98830	8.2
69.03463	1.3
71.01382	29.5
72.99298	2.1
73.02957	4.6
75.00882	1.0
80.96503	0.6
81.03451	1.4
83.01389	3.1
85.02950	6.7
85.10917	0.5
87.00879	7.4
89.02447	26.1
91.04010	0.8
92.02167	0.6
93.03450	0.9
95.01390	2.1
95.04991	0.6
96.95998	1.8
97.02968	4.8
97.06606	1.1
99.00881	1.4
100.76627	0.7
101.02444	22.3
109.06599	1.0
111.04510	1.3
113.02463	12.3
113.09692	1.8
115.03997	0.9
119.03497	6.4
121.10242	3.1
125.02444	10.3
125.09740	0.8
131.03500	1.6
133.05089	1.0
139.03987	0.9
143.03531	4.3
149.04578	1.2
161.04553	5.4
167.10777	0.7
168.17311	0.6
171.10272	8.8
173.04619	0.7
173.72339	0.5
175.01614	0.5
179.05615	4.6
183.13907	7.2
185.11737	0.7
191.05637	1.5
195.13918	2.4
200.63460	0.6
211.13397	1.7
221.06697	2.2
223.13406	2.2
235.08220	10.9
253.09314	2.8
263.07635	1.3
265.21884	0.7
269.04630	1.3
275.20135	13.0
276.20389	1.7
287.07761	2.7
293.21231	99.1
294.21561	10.0
305.08917	3.2
323.09668	0.9
397.13504	100.0
398.13809	9.5
415.14572	42.7
416.14874	3.9
557.97314	0.7
571.81311	0.6
575.22675	1.2
691.35284	4.0
692.36285	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	751.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22277	0.1
59.01382	1.2
61.98821	0.4
64.44533	0.1
71.01373	1.4
71.16148	0.3
72.99296	2.2
73.02942	0.2
75.00869	100.0
76.01188	0.8
83.01386	0.2
87.00895	0.2
89.02456	1.0
96.03595	0.1
96.50422	0.1
97.02903	0.3
101.02425	1.3
109.88330	0.2
111.54211	0.2
113.02453	0.4
115.80870	0.1
119.03516	0.3
125.02440	0.6
143.03497	0.2
161.04588	0.3
179.05608	0.4
190.66248	0.2
197.11786	0.7
235.08255	0.8
245.06715	0.1
253.09189	0.2
269.04639	0.3
275.32050	0.2
277.21695	3.4
278.22070	0.3
291.19858	0.3
305.08798	0.4
397.13510	7.4
398.13837	0.5
415.14618	2.5
675.35583	0.3
751.38812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
57.03435	1.7
58.00599	1.4
59.01378	33.9
61.98828	31.7
68.50426	0.7
69.03444	2.8
71.01378	29.6
71.05013	2.2
72.99299	2.2
73.02941	3.7
75.78297	0.6
78.95894	0.8
81.03444	1.1
83.01376	3.4
85.02943	6.7
87.00872	7.1
89.02442	23.4
92.62495	0.8
93.03436	0.7
95.01373	2.2
96.95994	1.5
97.02943	4.1
99.00874	1.1
101.01789	1.5
101.02439	23.2
111.04463	0.8
113.02453	11.1
119.03482	6.4
125.02444	10.2
131.03496	0.8
133.04945	0.9
143.03484	4.5
151.00565	0.7
152.18100	0.8
161.04556	6.4
169.05107	0.8
173.04550	1.4
179.05608	4.6
191.05611	2.0
195.13873	0.9
199.06177	0.8
200.76361	0.8
209.15407	1.1
221.06721	1.7
223.16978	1.6
231.21176	1.6
235.08174	9.9
235.17012	15.5
236.17406	1.8
253.09299	2.4
263.07767	1.1
275.20145	15.3
276.20419	1.8
277.09244	0.9
287.07730	3.6
291.19662	2.3
292.19962	1.7
293.21210	78.5
294.21530	8.8
305.08752	3.2
306.09055	0.8
323.09833	1.2
379.12567	0.9
397.13470	100.0
398.13757	9.7
415.14526	40.9
416.14832	3.7
417.15268	0.9
575.22675	1.9
691.34839	3.7
692.36517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88098	0.1
71.27596	0.2
76.74675	0.1
78.95885	0.4
79.95731	3.5
95.97630	0.1
96.96005	100.0
97.95933	0.3
98.95608	0.1
149.30487	0.1
175.59773	0.1
256.91888	0.1
290.26773	0.1
318.47925	0.1
349.70233	0.1
375.41507	0.1
453.09143	0.2
512.28235	0.1
691.31598	0.1
743.54852	0.1
751.42188	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48026	0.1
59.01379	1.1
61.98817	0.3
71.01377	0.9
72.99310	2.6
73.02959	0.2
73.99644	0.2
75.00871	100.0
76.01204	1.2
85.02931	0.3
87.00889	0.3
89.02454	1.1
97.02917	0.2
98.19774	0.2
99.00890	0.1
101.02435	0.9
113.02471	0.5
119.03533	0.3
125.02420	0.4
143.03506	0.1
161.04591	0.3
179.05585	0.2
235.08179	0.7
277.21680	2.9
278.21869	0.2
284.03357	0.1
287.07724	0.3
305.08838	0.2
397.13492	6.4
398.13718	0.6
415.14563	2.1
539.85400	0.1
539.93146	0.2
675.35736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
59.01375	1.6
63.02405	0.6
65.00020	0.3
65.00331	0.6
69.10147	0.2
69.52014	0.6
69.52435	1.1
71.01019	0.3
71.01378	1.8
72.99317	0.4
73.02943	0.4
74.02464	1.0
75.00863	0.9
80.96466	0.3
83.01385	0.4
84.82076	0.2
85.02962	2.4
87.00877	0.6
89.02473	0.4
91.62016	0.2
93.03474	0.3
95.01396	0.7
96.96002	0.5
99.00903	1.2
103.00370	0.4
105.24065	0.3
107.01397	1.4
109.02927	0.4
111.04514	0.3
113.02441	1.9
115.00323	0.4
116.05034	0.5
120.58279	0.2
121.02927	0.2
133.02946	5.0
135.04575	0.3
149.02458	1.3
151.00357	3.1
173.04524	0.7
175.02652	0.4
175.04002	2.0
177.01848	0.5
185.06088	0.3
189.05396	0.3
191.05600	0.7
197.05959	0.3
198.03085	0.3
199.04007	2.1
201.01988	0.5
203.08255	0.9
213.05515	0.5
213.30084	0.3
214.02705	0.2
215.03517	0.3
217.04935	1.3
219.03017	0.3
241.05045	0.6
243.02974	0.6
245.09312	1.3
257.04614	0.6
267.02896	0.3
275.16504	0.2
284.03323	0.4
285.04019	100.0
286.04379	8.1
286.07690	0.3
289.07437	0.4
327.05075	1.1
328.05484	0.3
357.06119	1.2
381.05914	0.6
405.29703	0.3
437.18277	0.3
444.26422	0.2
461.07208	52.5
462.07596	6.2
562.71082	0.3
625.74066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03447	2.4
58.00580	3.7
59.01376	100.0
60.01719	1.2
61.98817	3.4
66.76456	1.0
69.03458	2.4
70.78468	2.6
71.01376	76.4
72.24727	1.2
72.99297	5.2
73.02945	12.4
75.00865	4.7
79.95766	1.2
82.95411	1.7
83.01367	5.9
85.02942	22.7
85.03399	1.9
87.00868	6.5
89.02441	50.8
93.03463	2.6
95.01389	6.3
96.96006	24.7
97.02969	1.2
99.00872	2.2
100.92735	1.3
101.02435	34.9
113.02446	37.3
119.03507	19.4
125.02428	3.8
131.03531	2.8
132.53853	1.0
133.61012	1.0
135.02991	6.5
135.04520	5.2
137.02405	1.4
137.84097	1.0
143.03522	6.4
149.04521	2.6
151.00322	2.3
161.04530	11.3
173.04529	4.6
177.01894	1.9
179.03473	1.0
179.04036	1.6
179.05580	16.1
191.05573	7.7
203.13519	1.1
215.72414	1.1
218.99292	1.0
229.08644	1.5
293.28839	1.2
301.65085	1.2
339.12469	2.1
339.16074	1.9
365.14023	2.5
413.25635	2.5
438.40036	1.1
465.28595	1.7
483.29663	7.5
501.17780	2.1
501.30615	4.3
569.19794	1.5
609.32697	1.1
645.34851	59.9
646.35059	13.0
658.90710	1.4
663.35895	61.2
664.36340	12.4
705.36926	19.1
706.37531	4.0
765.44061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03431	1.1
59.01375	5.0
63.02379	1.2
65.00327	0.8
68.99826	0.5
69.62057	0.5
69.62465	1.1
70.83796	0.3
71.01379	5.0
72.99306	0.8
73.02932	0.5
75.00868	2.1
79.95705	0.3
83.01369	0.5
85.02944	12.9
86.03262	0.3
87.00873	2.3
89.02434	0.8
93.03450	0.5
93.10400	0.2
95.01387	3.8
96.95998	2.4
99.00871	4.1
103.00367	1.5
107.01398	1.3
111.00889	0.3
113.02444	25.6
114.02779	0.3
115.00348	0.9
117.01946	1.6
117.03441	3.0
129.01942	0.9
142.99828	0.4
149.02400	1.2
151.00342	1.5
155.10796	0.3
157.01384	0.5
159.04485	1.1
161.02419	0.7
169.06540	0.4
173.04483	0.8
174.01640	0.3
175.02458	12.8
176.02719	0.4
181.06383	0.3
183.04475	0.8
191.05489	0.4
196.05315	0.4
197.06088	0.8
201.05531	0.7
213.22107	0.2
217.10809	0.4
225.05547	1.5
227.03444	0.5
259.11871	0.6
260.00000	0.2
269.04520	100.0
270.04849	8.9
368.08380	0.2
387.19315	0.2
445.07724	32.3
446.08020	5.0
529.37714	0.3
653.59454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37145	0.4
52.55060	0.4
53.27605	0.5
56.58776	0.5
59.01384	0.6
62.13736	0.4
63.18929	0.5
64.49010	0.5
66.47343	0.5
67.25764	0.4
71.01373	0.9
71.55019	0.8
78.45536	0.5
81.03451	1.1
83.05018	0.8
85.02953	3.0
85.19659	0.5
85.60052	0.4
87.00874	0.9
93.03461	3.5
94.26503	0.5
96.96019	0.8
102.61958	0.5
111.04527	2.7
114.58241	0.5
115.69898	0.4
119.05025	53.8
120.05355	2.3
127.04052	1.1
137.02441	0.7
142.06696	0.5
145.02884	0.7
155.03467	3.2
163.04007	100.0
164.04367	5.9
173.04546	7.7
191.05605	48.5
192.05952	1.9
337.09268	64.9
338.09567	6.0
357.09695	1.1
383.07675	2.3
394.55896	0.6
469.23007	0.6
531.14832	0.7
557.12933	1.0
609.39941	0.6
689.17322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
60.99352	0.2
68.55594	0.2
68.82001	0.2
70.82610	0.7
71.01402	0.7
81.03477	0.4
83.05025	0.8
85.02953	1.1
87.00895	0.5
93.03452	2.9
96.96001	0.4
111.04465	1.8
113.58886	0.3
119.05025	42.7
120.05382	2.3
127.04002	0.4
135.04520	0.3
137.02435	0.4
144.78516	0.3
155.03484	2.5
161.51358	0.2
161.87878	0.3
163.04002	100.0
164.04332	4.4
173.04529	4.0
191.05600	11.5
192.05914	0.4
226.37724	0.3
316.46124	0.3
337.09268	41.3
338.09659	4.1
443.91721	0.3
464.52274	0.3
465.84241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03446	1.9
58.00588	4.7
59.01376	100.0
60.01714	1.2
61.98830	2.4
67.36702	0.5
69.36908	1.5
69.37325	2.3
71.01377	76.6
71.58652	0.5
72.01704	1.5
72.77031	0.4
72.99306	6.8
73.02941	1.9
75.00855	0.8
83.01384	2.2
84.02168	0.6
85.02945	13.2
87.00871	5.6
89.02441	97.2
90.02769	1.5
93.03431	0.7
95.01389	5.3
96.95997	6.1
97.02924	0.7
98.20667	0.8
98.59438	0.5
99.00871	0.8
101.02437	40.5
102.02754	0.5
107.03479	0.8
108.02154	1.3
109.02966	1.0
113.02441	32.2
114.02792	0.8
117.03458	2.0
119.03497	40.9
119.04940	1.6
120.03815	0.8
121.02982	2.7
122.03732	0.9
123.00848	0.8
123.04488	1.0
125.02444	1.2
131.03488	5.8
133.02989	1.6
134.03752	1.1
136.01649	13.1
137.02480	2.4
140.77281	0.7
143.03499	9.6
145.02928	9.2
146.03671	2.3
147.04477	2.3
149.02393	0.9
149.04526	3.9
150.03230	3.1
151.00343	4.1
151.02901	0.9
151.04004	13.8
161.02435	7.9
161.04544	8.0
161.05928	0.9
162.03215	41.8
163.03755	2.0
163.93498	0.5
164.04752	0.6
165.05548	2.6
166.02718	12.9
173.04472	1.6
173.05956	0.7
175.03935	0.9
177.01964	0.9
177.05547	24.4
178.05901	1.4
179.05598	25.3
180.04204	2.9
180.05811	1.1
181.05046	15.5
189.05516	1.2
190.06229	0.8
191.03470	0.8
191.05516	1.6
192.03979	0.6
195.06602	6.3
196.69110	0.6
200.53009	0.6
267.08487	0.7
285.03854	0.8
357.08722	1.1
357.12296	2.6
369.13138	0.8
372.11975	1.8
373.12396	0.5
386.13153	0.8
387.14407	9.6
388.14771	0.9
497.12335	0.5
547.19745	10.9
548.19342	2.2
560.56537	0.7
745.27393	0.7
745.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90436	0.9
57.03422	4.2
59.01374	9.0
61.98822	2.2
63.02375	3.5
65.00316	13.7
70.82794	2.7
71.01379	7.8
72.99282	1.7
73.02951	1.0
75.00851	2.8
83.01387	5.7
85.02940	7.5
87.00842	2.0
89.02425	1.5
93.03433	1.7
95.01404	1.3
96.96009	6.8
98.95633	1.0
99.00851	1.8
101.02373	1.1
103.00379	1.0
107.01394	15.6
113.02447	8.4
121.02961	1.8
125.02441	18.1
135.04483	1.4
137.02428	1.1
139.82164	0.9
145.02966	1.2
146.03697	1.6
151.00365	44.0
158.03853	1.0
160.38248	1.1
161.02452	1.4
167.03474	2.1
169.01311	1.0
172.05226	2.8
173.04514	5.5
173.05832	1.0
174.03140	1.5
175.02428	2.3
185.06004	1.2
186.06804	3.3
187.03935	1.5
191.05595	11.8
200.04750	1.0
209.11821	1.4
212.04810	1.8
227.03253	1.1
255.02943	2.0
256.03653	1.2
282.01865	1.1
284.03101	4.9
285.03735	1.2
296.03311	1.3
297.14929	11.6
297.17947	1.6
298.04874	1.2
308.03305	1.3
309.03967	7.9
315.15979	7.7
319.02448	1.5
320.03140	4.2
324.02612	1.9
325.14520	5.5
337.03421	2.0
337.07175	2.1
338.04312	3.5
343.15488	13.0
354.56335	1.0
369.13455	1.9
391.15445	1.3
417.19235	5.6
433.16583	1.6
441.19205	1.6
443.16995	3.0
449.16095	8.8
450.16147	2.3
459.14478	2.7
467.17081	9.2
477.15451	6.5
495.16519	3.6
521.04492	0.9
541.20758	4.5
551.19116	15.7
552.19415	2.7
553.20258	1.3
569.20221	100.0
570.20642	16.2
745.23395	66.6
746.23712	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	743.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.99387	0.1
57.03444	0.5
58.00600	0.4
59.01375	100.0
60.01708	1.2
61.98832	0.2
65.24621	0.1
69.03448	0.2
71.01377	10.9
71.56121	0.2
72.99316	0.5
73.02943	4.1
75.00857	0.2
83.01379	1.8
85.02943	5.6
87.00887	0.8
89.02431	2.0
93.03419	0.2
95.01389	0.8
96.96010	0.4
97.02959	0.3
99.00878	1.5
101.02435	8.6
111.00772	0.2
113.02441	4.4
114.02808	0.2
119.03516	0.5
125.02474	0.3
137.09729	0.2
138.01973	0.3
143.03510	0.6
153.09233	0.6
159.03003	1.2
161.04543	5.2
162.04933	0.2
173.04582	0.4
189.13065	0.1
191.05595	1.1
210.24486	0.2
225.14917	1.5
261.04306	0.9
265.43881	0.2
269.10269	11.4
270.10678	0.6
311.11331	11.4
312.11697	1.2
327.08725	0.6
355.10275	0.3
387.20187	10.9
388.20633	1.0
530.75739	0.2
550.81061	0.2
761.91418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71634	3.5
59.01370	28.0
61.98830	9.4
65.94398	4.9
67.01885	6.0
71.01378	23.4
73.02960	4.7
85.02941	8.0
87.00897	7.6
89.02448	16.2
93.03460	19.8
93.97039	4.6
96.95998	41.8
101.02453	15.6
109.69755	4.0
113.02478	10.8
117.03487	7.7
119.03467	4.3
119.05021	17.5
121.02980	17.4
125.02473	5.8
135.04523	15.2
135.74509	3.5
137.02469	6.4
145.02954	56.3
151.07666	4.4
161.04463	4.6
163.03967	11.6
163.65044	3.8
171.10297	12.5
173.04530	18.7
179.03490	9.3
179.05681	3.8
191.05591	60.0
196.05159	4.2
201.11534	5.2
207.10268	6.6
209.11797	17.8
211.13396	27.2
225.11316	8.1
233.15224	4.3
235.08276	7.2
243.39581	4.3
253.09210	6.3
269.04517	5.5
284.03116	5.1
291.19592	54.4
292.19983	6.6
303.21652	5.1
305.08545	5.3
309.20554	19.7
353.08676	8.0
397.13528	75.5
398.13483	5.6
415.14627	35.6
539.19427	8.3
539.95880	5.0
595.90607	4.7
609.27417	21.0
610.28375	5.7
657.36353	4.3
689.33978	36.3
690.34149	7.6
707.35748	8.2
743.33356	100.0
744.34216	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83841	3.1
59.01384	47.2
59.07991	3.5
59.10343	3.4
61.98833	12.0
65.78619	3.3
69.64750	6.0
69.65154	14.7
71.01379	12.7
76.71545	4.0
82.24474	3.7
85.02966	7.5
87.00880	6.0
88.98762	3.9
89.02441	14.2
93.03464	7.3
96.96024	26.5
101.02443	11.2
113.02458	6.1
119.03519	4.0
125.09719	4.4
143.03513	4.5
161.04610	5.2
171.10213	5.1
173.04497	7.6
179.05531	4.1
191.05582	20.0
191.14355	6.9
197.04907	3.8
207.10258	3.8
209.11829	15.6
211.13379	4.6
225.11398	8.6
227.12843	4.8
235.08185	6.4
245.19199	5.1
282.05405	6.4
289.18170	47.5
290.18341	6.9
307.19171	65.7
308.19525	6.5
389.00632	4.5
397.13562	51.4
415.14551	34.3
433.74527	3.8
558.67883	3.8
607.26202	5.5
621.26874	3.7
687.31934	6.2
705.33191	13.7
741.31134	100.0
742.31439	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	741.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07327	8.4
59.01379	100.0
61.98832	28.7
69.19447	7.7
71.01379	28.8
85.02972	14.9
87.75916	7.6
89.46918	8.0
96.96019	47.1
99.14005	9.3
101.02432	15.4
134.59860	8.2
145.03003	12.6
173.04568	18.2
191.05646	19.3
209.11958	14.6
253.09175	11.2
279.12006	10.1
299.04974	8.9
307.19055	42.2
378.03616	8.8
397.13516	18.3
415.14584	18.4
607.26483	10.7
697.40765	18.9
705.33331	25.4
741.31500	82.6
742.31726	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	741.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75439	2.0
52.24477	2.2
59.01386	12.7
61.98812	5.4
63.18058	2.3
64.30573	2.3
71.01376	14.6
71.55663	3.4
73.02958	3.1
85.02956	6.1
87.00880	2.8
89.02451	9.2
93.03462	4.6
96.96004	8.8
101.02451	10.7
109.06583	4.6
111.04508	5.2
113.02465	7.6
119.03455	5.7
123.04535	2.9
125.02383	4.3
134.03732	7.6
135.04530	4.8
143.03464	3.4
147.00146	2.4
160.01622	7.1
161.04645	3.4
171.10292	4.0
173.04549	6.9
175.03998	5.7
191.05582	17.5
225.11359	3.2
253.09259	2.8
285.04077	2.8
289.18091	100.0
290.18350	7.6
305.08499	3.1
307.16034	2.4
307.19025	12.6
397.13486	70.4
398.13925	7.0
415.14606	38.8
416.14935	3.3
459.78238	2.4
537.21112	16.2
538.21594	5.8
646.74994	2.9
687.31805	19.5
705.33527	7.1
741.31024	75.3
742.31354	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62317	4.6
56.24286	4.7
59.01376	38.2
61.98814	11.5
71.01385	13.4
71.55930	5.7
81.09760	5.2
84.58388	4.7
85.02959	7.8
87.00858	5.4
89.02440	15.4
93.03514	5.3
96.96025	25.4
101.02417	11.8
113.02429	7.5
119.03497	10.4
138.15314	4.5
160.33772	5.7
161.64558	5.9
163.11269	6.9
171.10216	5.4
173.04567	13.9
191.05614	18.1
192.22235	5.3
209.11855	17.9
211.13318	7.8
245.19022	9.6
250.41496	5.2
253.09189	6.2
289.18137	51.1
307.19125	70.9
308.19418	8.6
338.26553	4.9
351.21204	5.9
381.83524	5.4
389.18887	9.7
397.13431	63.8
415.14508	38.6
502.38101	5.9
540.01031	5.1
705.33484	11.7
706.34326	7.0
741.30975	100.0
742.31104	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	741.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91649	3.0
59.01378	54.3
59.62001	2.7
60.48727	2.8
61.98831	6.6
62.76837	2.9
70.94541	3.3
71.01381	13.3
75.00879	3.1
85.02961	5.0
85.03470	2.9
85.42813	2.6
87.00900	5.0
89.02454	11.7
89.73253	3.3
96.96008	33.2
101.02431	9.8
110.41373	2.8
113.02473	4.5
119.03506	4.5
125.02378	3.9
128.02605	3.0
143.03473	3.4
152.99596	2.7
163.11195	3.8
173.04535	10.5
179.05621	3.6
191.05594	14.4
209.11807	13.0
211.13235	3.9
225.11194	4.3
235.08183	5.1
245.19084	8.8
253.09161	5.5
289.18109	45.1
290.18240	4.3
307.19144	70.6
308.19705	4.4
397.13544	43.7
398.13803	4.9
415.14539	35.7
545.46558	3.2
567.21405	3.1
607.25787	4.8
643.23425	5.9
687.32037	3.7
705.33740	11.1
741.31091	100.0
742.31439	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	741.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01374	2.7
60.99295	0.7
67.01889	3.9
69.03462	0.9
70.51307	1.2
71.01377	3.8
78.95901	0.6
79.95717	0.8
80.71535	0.3
81.03461	1.2
83.05037	1.0
85.02952	3.0
87.00883	1.8
89.02481	0.3
93.03455	27.1
94.03793	1.3
96.96006	15.1
98.95629	0.5
101.02441	0.5
109.02982	0.7
111.00879	0.9
111.04517	5.2
113.02448	0.7
119.05023	18.7
120.05344	0.8
127.04010	1.0
137.02457	3.8
138.05457	0.3
145.02936	0.8
151.04018	0.6
155.03500	3.8
163.03998	16.8
164.04317	1.1
172.77133	0.4
173.04538	100.0
174.04857	6.0
175.05035	0.7
175.56194	0.4
177.01843	0.5
179.03346	0.5
191.05600	44.5
192.05902	2.0
201.65862	0.3
212.02058	0.4
214.65462	0.3
337.09259	54.4
338.09579	5.3
339.09802	1.1
584.01715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03449	0.7
58.00599	0.2
59.01380	100.0
60.01718	1.0
71.01382	10.1
71.55397	0.3
72.99316	0.4
73.02950	3.4
75.00877	0.3
76.26692	0.2
79.95775	0.3
80.12791	0.2
83.01392	1.7
84.63279	0.2
85.02949	5.2
86.06671	0.2
87.00893	0.7
87.81350	0.2
89.02446	3.5
93.03493	0.4
95.01398	0.9
96.96008	4.5
97.02977	0.3
98.95621	0.3
99.00906	1.4
101.02441	9.6
108.02200	0.3
113.02445	5.5
119.03501	1.8
125.02457	0.3
129.01935	0.2
131.03516	0.3
138.02010	1.0
143.03545	0.9
149.04535	0.2
153.09218	0.4
159.02977	1.1
160.33273	0.2
161.04553	5.7
173.04567	0.6
179.05608	1.6
191.05621	1.2
205.12329	0.6
218.39493	0.2
242.19545	0.2
261.04532	0.3
269.10284	10.8
270.10675	0.8
273.12296	0.3
311.11346	10.5
312.11804	1.0
343.21347	0.8
345.40128	0.2
355.10382	0.4
385.18683	3.5
394.69104	0.3
522.44794	0.3
536.45807	0.2
608.04828	0.2
644.74890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98826	100.0
62.98510	0.1
79.07659	0.1
83.05035	0.1
98.20654	0.2
116.94347	0.1
173.04547	0.2
191.05605	0.2
203.98651	0.1
229.55499	0.1
436.19809	0.1
506.23474	0.1
678.49768	0.1
679.50793	0.4
680.50317	1.0
740.49207	2.0
741.49524	0.6
754.41284	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22768	0.2
59.01377	1.1
60.01730	0.3
61.12749	0.2
61.98835	100.0
68.70446	0.2
69.12759	0.2
71.01380	0.9
71.55823	0.3
73.66320	0.2
85.02975	0.2
87.00900	0.4
89.02457	0.8
95.24444	0.2
100.51008	0.2
101.02461	0.7
113.02459	0.3
119.03526	0.2
125.02416	0.2
154.71663	0.2
159.92737	0.2
183.13976	0.3
186.99350	0.2
207.51541	0.2
209.11859	0.6
212.64616	0.2
225.11426	0.2
227.13010	0.2
258.22083	0.2
277.21869	0.2
279.23294	1.1
280.23611	1.7
281.24078	0.7
282.24380	0.3
310.81085	0.2
396.16861	0.2
397.13638	0.9
398.13965	1.3
399.13959	2.4
400.14288	1.2
415.14517	0.4
416.15036	0.3
417.15384	0.6
418.15649	0.3
539.68671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41388	0.1
59.01368	0.5
59.70213	0.1
60.01715	0.1
61.01814	0.1
61.98824	100.0
62.98517	0.2
67.79957	0.1
71.01399	0.4
73.02936	0.1
85.02953	0.1
87.63365	0.1
89.02411	0.4
89.79374	0.1
101.02464	0.2
106.23891	0.1
113.02418	0.1
125.02410	0.1
180.05965	0.1
211.13542	0.1
235.08270	0.1
275.51462	0.1
279.23206	0.6
280.23544	0.7
281.24072	0.3
282.24399	0.1
287.43799	0.1
397.13663	0.3
398.13721	0.5
399.13916	0.8
400.14203	0.4
416.14822	0.1
417.15268	0.2
418.15500	0.2
450.70572	0.1
583.47839	0.1
635.50671	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.8
61.98817	1.3
69.89871	5.3
69.90214	1.8
71.01385	24.9
71.31442	1.2
72.99331	2.1
73.02945	4.9
81.03457	1.1
83.01393	2.2
84.95117	4.6
85.02967	6.4
87.00880	3.0
89.02448	21.2
95.01379	2.6
97.02957	3.7
99.00929	1.7
101.02448	17.9
109.06609	1.5
113.02468	8.8
119.03507	4.7
125.02409	7.8
143.03487	3.1
161.04584	4.6
163.69656	1.1
171.10277	15.8
179.05624	3.6
185.04486	1.2
201.11310	3.9
207.10226	3.6
225.11282	7.5
226.11623	1.4
235.08223	10.9
253.09258	4.2
277.21735	27.8
278.22189	2.8
281.24857	68.3
282.25204	8.2
287.07657	2.2
305.08789	4.1
322.16672	1.2
397.13525	100.0
398.13846	8.5
415.14542	28.5
416.14777	2.2
461.20654	1.5
679.39038	4.9
739.41827	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	738.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38373	0.1
59.01369	0.2
61.98825	100.0
62.98538	0.2
71.01392	0.2
89.02448	0.2
126.17151	0.1
129.52365	0.1
136.97072	0.1
161.29257	0.2
277.21750	0.3
278.22110	0.3
397.13788	0.2
398.14093	0.2
399.14484	0.3
400.14505	0.3
731.03522	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67218	0.6
57.03450	0.8
58.00592	1.1
59.01380	100.0
60.01708	1.1
61.98811	0.8
69.03457	1.5
69.43864	3.9
71.01382	36.3
72.99325	1.8
73.02946	42.0
74.03296	0.8
75.00874	1.1
79.95731	0.5
81.03478	0.9
83.01388	13.2
83.51634	0.5
84.01751	0.6
85.02953	6.0
87.00900	1.7
89.02446	9.4
93.03475	0.9
95.01405	1.2
96.96010	11.8
96.96605	0.7
97.02941	1.3
99.00869	0.9
101.02441	44.9
102.02792	1.2
109.06512	0.5
113.02451	16.5
119.03506	5.3
125.02459	1.9
131.03487	4.7
132.03961	0.5
134.54016	0.5
135.04626	0.6
143.03485	5.0
149.04553	9.8
155.03510	2.0
161.04553	16.9
161.05878	1.1
162.04982	0.5
171.10326	1.1
173.04614	1.8
177.99857	0.6
179.05644	0.8
180.77336	0.5
191.05606	4.1
203.05606	2.6
209.11894	1.8
221.06627	5.4
245.14027	0.9
265.14478	0.6
269.04672	0.7
270.04852	0.7
305.17664	0.7
323.18594	0.8
341.19766	1.6
397.13538	1.9
412.40152	0.5
415.14661	1.3
679.35608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49051	0.4
57.03453	0.8
59.01377	3.6
60.00391	0.4
61.98835	1.1
66.52714	0.3
69.03447	3.4
71.01382	4.2
71.05015	1.7
73.02947	0.6
83.01392	0.5
85.02954	1.4
87.00864	0.6
89.02422	2.2
93.03495	0.5
95.01407	0.6
97.06596	0.7
99.00866	0.4
101.02427	2.6
107.02487	0.4
112.98834	0.9
113.02452	1.2
115.65018	0.4
119.03524	0.5
123.08190	0.7
125.09718	2.1
139.26192	0.4
141.35951	0.4
151.11281	1.7
153.12856	2.0
161.04514	1.0
161.09732	2.4
179.05624	0.8
179.10774	6.0
197.11819	80.5
198.12093	3.8
207.13577	0.5
211.13577	0.5
223.09792	1.0
236.38753	0.5
241.10796	3.7
249.09355	0.4
253.09337	2.7
277.21719	22.7
278.22028	2.4
279.23215	1.0
389.92889	0.4
444.23746	0.4
459.18610	0.9
477.19839	1.9
575.35938	0.5
617.38135	0.5
737.41125	100.0
738.41412	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98827	100.0
62.98533	0.2
71.01380	0.2
73.02941	0.1
76.73422	0.1
76.73886	0.1
78.59013	0.1
85.02954	0.1
89.02451	0.2
101.02471	0.2
125.02431	0.1
209.11830	0.2
210.01030	0.1
224.44626	0.1
235.08229	0.1
235.47688	0.1
255.09843	0.1
256.86295	0.1
275.87625	0.1
277.21796	0.3
278.22171	0.4
278.48709	0.1
279.22464	0.3
293.21143	0.1
397.13699	0.3
398.13803	0.4
399.14056	0.6
400.14365	0.3
417.15204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03447	4.1
59.01377	77.0
60.99306	1.7
61.98827	13.1
63.84841	1.8
69.03448	1.8
71.01376	54.4
71.56233	1.9
72.99315	2.7
73.02939	11.2
75.00863	3.6
76.11498	1.7
83.01382	10.4
85.02948	31.5
87.00887	4.2
88.98795	10.4
89.02431	14.7
93.03439	3.8
95.01385	6.4
95.35229	1.7
96.95988	9.6
97.02924	3.4
99.00879	7.8
101.02441	37.7
108.31007	2.0
111.00877	2.8
113.02434	29.5
117.03469	3.4
119.03506	3.9
125.02436	3.4
129.01941	3.6
143.03493	4.1
159.02905	4.0
161.02496	2.7
161.04536	6.4
161.87228	1.8
173.04498	6.3
191.05562	17.9
193.84747	1.7
201.05534	1.8
215.12892	2.6
253.05002	1.8
281.04648	10.8
282.05408	9.8
293.21191	5.2
309.04117	3.1
314.04282	16.4
327.29303	1.8
397.13492	4.6
415.14740	2.3
469.12372	1.8
471.33047	11.5
472.32886	2.6
489.34311	12.1
561.24860	43.4
562.25348	9.2
633.38483	100.0
634.38727	19.4
651.39520	70.6
652.39166	13.5
693.40668	37.0
694.40802	8.9
767.28613	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	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90486	0.7
55.01865	0.8
57.03432	0.7
59.01381	4.4
61.98815	2.0
69.03449	4.4
70.91731	0.6
71.01386	3.7
71.05006	0.8
71.48250	0.9
73.02951	1.0
77.00883	0.6
77.38453	0.6
78.95904	1.2
81.83728	0.7
83.01382	0.8
85.02935	1.5
87.00880	0.9
89.02428	1.5
101.02432	3.6
110.70029	0.6
112.98832	1.5
113.02418	1.4
119.03525	0.7
121.80102	0.8
125.09674	2.1
131.55728	0.6
151.11267	2.5
153.12726	0.7
161.04504	1.3
161.09717	4.2
179.10783	6.0
182.31525	0.7
197.11830	41.2
198.12154	1.9
235.08043	0.7
241.10788	1.6
253.09198	2.1
277.21707	49.3
278.22061	6.3
279.23178	1.4
417.82819	0.7
459.18506	0.9
477.19650	1.0
700.06268	0.7
737.41101	100.0
738.41364	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	737.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29992	0.8
59.01383	3.7
61.98830	6.5
63.96209	1.5
67.80075	0.8
69.03439	1.1
69.24869	2.3
69.25282	5.1
71.01385	8.9
72.56741	0.8
73.02939	2.2
77.44137	0.7
78.98607	7.6
79.95739	11.4
80.96519	73.2
81.03436	1.2
85.02962	4.3
87.00874	3.6
91.34219	0.7
93.03463	2.2
94.98085	17.0
96.96011	3.3
97.02942	2.7
98.19850	1.4
99.00880	1.2
101.02424	3.4
106.98072	2.8
111.04520	1.0
112.63746	0.7
113.02454	1.5
122.97585	3.8
125.02495	4.9
127.04037	0.9
134.97568	6.5
135.04533	1.4
135.44753	0.8
136.99170	1.9
137.02408	1.5
148.99146	5.9
152.98624	6.4
164.98622	15.0
165.01949	1.4
165.12874	1.2
167.00301	0.7
167.03516	3.1
173.04561	4.1
177.01901	1.0
183.13892	7.1
191.05606	6.8
193.01402	2.1
206.99670	3.7
209.11771	1.4
213.24168	0.8
225.00734	24.5
227.12854	1.3
326.62115	0.9
509.16937	2.3
617.23865	5.1
634.02887	0.9
647.25195	3.8
648.25446	1.3
659.25208	1.0
671.52710	0.8
737.30573	100.0
738.30750	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	737.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
59.90295	1.1
60.90294	1.3
61.98824	7.3
71.01373	3.2
71.55787	1.6
79.95738	2.5
80.96507	4.4
85.02966	4.7
87.00882	2.0
93.03453	1.5
95.01394	2.4
96.96001	3.3
99.00862	2.2
113.02450	7.3
117.03442	5.4
120.74324	1.3
139.00371	1.8
161.02357	2.2
164.98521	1.2
173.04626	1.6
175.02475	2.6
178.02330	1.2
179.78435	1.5
191.05586	3.2
197.05971	1.2
209.11810	4.0
253.04948	1.5
268.03726	11.8
269.04547	68.5
270.04947	6.4
281.04568	5.4
282.05273	7.2
291.19815	2.9
293.04602	3.6
295.02911	1.7
295.06073	11.1
296.06528	1.8
309.20566	3.6
311.05536	1.9
314.04300	4.8
321.07767	1.7
370.80322	1.3
426.08884	1.7
427.06656	2.5
435.09760	1.4
445.07562	2.6
449.20679	1.2
451.13962	1.3
543.23938	3.8
561.24884	100.0
562.25195	14.7
725.94775	1.3
737.29791	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	737.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00597	0.4
58.81017	0.4
59.01364	1.5
61.98824	2.4
63.02396	1.2
65.00322	0.9
70.15040	0.4
70.50632	0.4
70.50946	0.7
71.01380	2.3
72.99283	0.8
75.00879	3.6
79.95724	0.9
80.96516	1.5
83.01395	0.6
85.02943	3.9
87.00864	0.7
93.03527	0.4
95.01394	1.9
96.96021	0.8
99.00867	1.4
103.00368	0.6
103.06219	0.4
107.01382	1.1
109.06657	0.5
111.00873	0.6
113.02455	8.5
115.00382	0.9
117.01983	0.4
117.03466	3.5
139.00377	4.9
149.02431	1.2
151.00368	1.5
159.04512	1.1
161.02415	0.7
161.04572	0.4
175.02483	3.5
183.04596	0.4
191.05624	0.9
196.05185	0.4
197.06038	0.6
209.11810	2.3
225.05630	1.3
227.03448	0.5
253.09300	0.6
263.20032	0.5
268.03757	7.9
269.04544	100.0
270.04871	8.4
281.04556	1.1
291.19617	0.9
293.21301	0.7
298.04858	1.1
309.20743	1.9
311.05627	0.9
321.04196	0.6
326.04327	1.2
369.06213	1.1
379.19797	0.4
427.06619	4.0
428.07092	0.7
445.07803	5.8
446.08154	1.3
561.24927	3.3
562.25458	0.6
617.24005	1.8
647.24609	0.7
677.42523	0.4
719.27136	1.3
737.29010	1.6
738.30347	0.6
767.06854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53278	0.3
55.01881	0.4
57.53514	0.3
59.01377	4.2
61.98832	3.9
71.01391	2.8
71.55817	0.5
72.44896	0.3
73.02947	1.9
78.95912	0.4
81.91403	0.4
83.01384	0.9
85.02946	1.3
87.00873	0.4
91.05532	0.4
93.03458	1.2
93.40509	0.4
96.96014	1.4
101.02438	1.5
106.04234	0.9
113.02444	1.3
117.05611	0.5
119.05031	4.9
121.02975	4.0
122.03752	5.2
125.02440	0.4
132.05791	0.9
133.02940	0.5
133.06593	7.2
134.03729	0.4
135.04533	5.1
136.05287	0.9
137.17522	0.4
149.06175	0.4
161.09749	3.1
168.04260	0.4
171.10213	0.4
173.04613	2.0
185.49249	0.5
187.11285	11.2
188.11617	0.7
189.12843	9.9
190.13048	0.6
191.05556	2.7
197.11858	1.0
206.09540	0.7
209.11835	0.6
211.13405	0.4
325.18060	100.0
326.18414	12.3
469.22232	6.0
470.22818	1.1
487.23340	7.5
488.23911	1.5
529.24420	11.2
530.24579	2.6
649.39362	0.5
685.30981	0.5
691.41089	2.7
692.41846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.9
59.01375	8.4
61.98814	0.9
69.03468	0.7
71.01378	7.5
71.56010	0.9
72.99319	0.9
73.02943	4.1
83.01376	1.3
85.02951	3.1
87.00887	1.4
89.02443	2.3
93.03445	2.9
96.96013	5.6
99.00874	7.2
101.02436	3.7
101.31558	0.7
108.02168	1.8
109.02986	1.1
113.02451	6.3
119.04993	1.2
121.02941	3.2
122.03732	1.5
125.02481	1.1
134.03740	0.8
135.04497	0.9
136.01659	68.8
137.02354	2.4
145.06525	0.6
145.12253	0.6
147.04472	0.7
149.04529	0.8
151.04001	100.0
152.04321	3.9
159.04503	0.8
160.05301	1.4
163.03986	1.3
167.03629	0.7
171.10217	1.1
173.04504	1.9
173.05843	0.6
175.03984	1.7
175.07619	1.5
176.04817	1.7
177.05597	1.5
179.03499	1.4
190.06305	0.8
191.05602	6.8
191.07220	1.8
205.08952	0.8
225.11240	1.5
243.12434	0.7
279.06674	1.0
311.12927	0.6
312.10049	1.2
324.10321	0.8
327.12338	5.8
339.12415	4.9
342.11063	5.8
343.11722	2.3
357.13412	69.8
358.13831	7.6
488.27658	0.7
561.19928	1.0
633.22021	5.0
651.22845	15.1
652.23578	3.2
663.23053	1.1
675.23193	2.7
689.09064	0.7
693.23969	47.5
694.24194	9.9
737.23682	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	733.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95649	0.4
55.01857	1.0
58.00601	1.4
59.01381	71.6
60.01715	1.4
61.98840	0.4
68.50966	0.4
69.03461	1.9
71.01384	36.5
72.99312	1.3
73.02947	68.5
74.03291	0.9
81.03481	0.6
83.01390	15.1
85.02953	3.9
87.00870	0.9
89.02445	7.1
95.01419	1.3
96.96068	0.5
97.02977	0.8
98.19865	1.0
99.00938	0.6
99.04586	0.5
101.02446	38.0
102.02798	1.1
113.02451	9.1
113.03247	0.6
116.79729	0.4
119.03496	2.7
125.02454	1.6
131.03487	3.4
133.54398	0.4
143.03514	3.1
149.04579	3.2
153.94418	0.4
155.03490	1.4
161.04559	7.2
191.05537	0.6
192.40671	0.4
221.06560	1.1
364.30832	0.5
629.35333	1.4
647.37634	7.3
648.38574	0.9
689.39032	100.0
690.39355	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	735.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
64.72698	0.4
69.79377	1.6
71.01398	0.6
74.66769	0.4
83.05037	0.6
85.02941	1.9
87.00896	0.7
89.03968	1.8
93.03457	3.0
96.96030	0.8
101.02460	0.5
104.21702	0.4
111.04526	1.8
117.03461	6.1
119.04997	2.6
127.03986	0.5
133.02966	0.7
134.03732	75.9
135.04042	3.4
149.06052	5.8
155.03497	3.3
161.08211	0.8
163.04036	3.6
173.04550	4.6
191.04311	0.3
191.05592	13.7
193.05037	100.0
194.05350	5.2
352.62939	0.4
367.10297	45.0
368.10693	4.7
387.11243	1.1
434.61423	0.6
617.68951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03437	3.2
58.00586	3.6
59.01377	100.0
61.98815	3.9
62.63396	1.4
71.01381	67.9
71.56434	2.0
72.99300	5.6
73.02959	13.0
83.01381	6.9
85.02940	23.9
87.00874	5.8
89.02441	36.8
93.03434	1.6
95.01383	7.9
96.96000	4.6
96.96627	1.2
97.02942	2.5
99.00856	3.9
101.02432	40.0
113.02445	38.7
118.76192	1.4
119.03490	15.5
125.02433	4.3
131.03513	2.7
143.03481	4.2
161.04530	8.3
173.04558	2.3
179.05591	4.9
183.13847	1.8
191.05627	3.3
209.11771	4.1
227.12852	5.1
311.28992	1.3
325.18015	5.8
467.30130	5.7
485.31229	5.7
497.52130	1.4
593.33069	1.7
629.35376	90.1
630.35803	19.5
647.36407	80.9
647.52576	2.1
648.36761	16.7
689.37476	25.8
690.37610	6.2
733.37573	1.9
741.19214	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	733.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03439	1.8
58.00604	1.7
59.01380	100.0
60.01707	1.1
61.43817	0.5
61.98827	3.4
64.98930	0.7
66.66734	0.6
69.03462	1.5
69.48389	1.9
69.48820	2.2
71.01382	49.7
72.01708	1.0
72.99327	1.7
73.02946	18.2
75.00908	0.9
81.03505	0.7
81.72043	0.6
83.01379	6.0
85.02953	15.2
86.03271	0.9
87.00874	3.9
89.02449	24.9
89.03009	1.2
93.03476	3.1
95.01384	4.9
96.96002	6.4
97.02968	1.2
98.19931	1.4
99.00886	2.5
101.02443	26.3
102.02778	1.1
104.42735	0.7
111.00938	0.6
111.04552	1.6
113.02451	34.5
113.05121	0.6
114.02780	0.8
119.03510	9.5
124.01757	0.7
125.02433	4.2
129.02042	0.5
131.03534	2.2
137.02519	0.9
143.03531	6.4
143.07178	1.0
149.04564	2.3
151.07578	0.7
155.03522	1.9
161.02541	0.8
161.04552	10.7
173.04544	5.6
179.03471	0.7
179.05617	5.4
191.05603	5.0
203.05597	1.0
209.11838	1.5
221.06647	0.7
231.10234	0.5
271.09378	0.5
285.04028	0.9
311.22446	1.7
507.25980	0.9
515.28644	5.5
516.29266	1.0
525.27051	7.2
525.34283	0.8
526.27960	1.6
543.28076	30.4
544.28638	5.8
561.29163	13.1
562.29730	2.3
585.29248	7.1
586.29791	1.5
603.30103	14.2
604.30914	2.5
671.40729	0.8
689.33710	5.2
690.34729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03448	1.8
58.00602	3.2
59.01381	100.0
60.01715	1.2
61.98828	1.1
69.03468	0.7
70.83612	1.4
71.01384	65.8
71.29613	0.4
72.01723	0.9
72.99307	4.2
73.02950	15.7
75.00881	0.7
83.01389	6.0
85.02956	16.4
86.03269	0.5
87.00879	4.6
89.02448	55.3
90.02771	0.8
93.03428	0.4
95.01397	6.1
95.87178	0.4
96.96017	6.8
97.02957	1.5
99.00891	1.4
99.77398	0.4
101.02446	38.9
102.02721	0.5
111.00876	0.5
113.02455	44.3
114.02798	0.9
115.00343	1.0
119.03506	22.4
125.02457	1.3
131.01895	0.5
131.03523	4.1
135.04543	0.6
143.03502	9.2
144.03802	0.4
149.04555	3.9
155.03432	0.7
161.03271	0.8
161.04561	13.9
167.14439	0.4
173.04530	1.6
175.02452	1.9
179.05611	20.3
180.05893	0.8
191.05531	1.6
203.05620	0.7
210.05606	0.9
211.13235	0.4
221.06587	0.7
355.75101	0.4
440.13821	0.4
465.28256	1.9
470.98514	0.5
472.83920	0.5
483.29245	0.9
484.29254	0.6
574.36407	0.4
627.23468	0.7
627.33850	24.7
628.34180	6.0
645.34924	27.0
646.35242	6.3
657.70465	0.5
687.35999	6.4
688.35870	2.2
752.26477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.0
57.03448	1.8
58.00575	3.2
59.01376	100.0
61.98835	5.8
69.03449	1.8
69.21458	8.9
71.01378	71.8
72.01701	1.0
72.99306	5.4
73.02942	13.6
80.01237	0.8
83.01377	6.0
85.02949	18.8
87.00870	5.1
87.32048	1.0
89.02440	60.7
93.03455	5.4
95.01376	6.2
96.96004	11.1
99.00859	3.1
101.02441	40.0
102.02764	1.6
111.04530	1.2
113.02443	44.8
114.02756	1.0
118.36983	1.0
119.03498	28.8
119.04884	1.1
121.02961	1.3
125.02437	1.9
131.03487	4.8
131.65901	0.9
135.04507	1.8
137.02463	1.6
142.49370	0.8
143.03484	9.1
149.04501	3.9
151.07539	1.1
155.03485	1.3
161.04538	17.9
173.04549	10.4
179.05609	24.0
180.05974	1.7
191.05600	6.2
195.72540	1.0
200.03822	0.9
225.11345	1.3
250.65514	0.9
285.04013	1.0
387.19434	0.9
465.28656	2.5
513.26904	2.5
523.17810	1.1
627.33740	20.6
628.34094	5.3
645.34747	22.7
646.35547	4.2
687.35303	6.8
688.36029	1.0
731.24359	1.2
732.40826	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	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04291	4.1
59.01387	51.3
61.98825	17.8
69.48766	35.2
71.01381	20.3
73.02945	5.8
75.78438	4.8
85.02950	6.1
87.00887	7.1
89.02429	13.5
92.71683	4.7
93.03443	4.4
96.96011	23.5
101.02448	13.0
113.02443	10.9
115.49136	4.7
125.02411	6.1
157.00247	4.8
173.04541	10.7
179.05566	8.6
191.05592	20.1
209.11803	4.9
235.08215	9.1
235.16916	5.7
237.52994	4.9
275.20145	10.7
291.19666	20.7
293.21262	60.7
294.21378	7.2
317.47351	4.6
397.13531	100.0
398.14063	12.9
415.14529	34.5
689.34314	8.6
691.34784	10.8
717.85773	4.4
727.33038	92.8
728.33234	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	729.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.16435	0.3
57.03444	1.0
58.00576	0.4
59.01380	100.0
60.01711	1.0
69.03468	0.3
70.65839	0.6
70.66198	0.5
71.01384	10.6
73.02946	3.8
83.01407	1.3
85.02956	6.1
85.23524	0.3
87.00909	0.6
89.02435	1.4
95.01392	0.8
96.96033	0.8
99.00903	1.7
101.02448	6.1
113.02452	3.7
119.03506	0.4
125.98259	0.3
140.90703	0.3
143.03484	0.4
159.02983	0.7
161.04579	3.8
173.04568	0.8
191.05621	1.0
211.13448	0.8
229.14262	0.3
258.11099	0.3
279.87805	0.3
285.06006	0.5
315.18109	9.3
316.18661	0.8
327.21799	4.0
328.22250	0.3
357.19135	3.9
369.68240	0.3
401.14120	1.5
546.32178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.0
59.81353	1.4
61.98838	1.7
69.64556	9.5
71.01384	5.8
71.45293	1.3
73.02939	1.7
87.00860	1.6
89.02438	6.9
101.02486	7.6
113.02469	3.2
125.02399	2.0
134.99275	1.9
143.03539	1.8
161.04517	2.9
179.05522	2.3
191.05505	2.3
195.13847	5.8
223.13429	3.1
226.62706	1.6
226.83354	1.6
235.08194	3.0
242.41196	1.5
275.20197	2.6
291.19696	5.6
293.21222	100.0
294.21588	8.8
305.08627	2.2
362.27386	1.7
388.93723	1.8
397.13507	36.7
398.13809	3.8
415.14505	37.7
416.14713	3.3
650.18335	1.8
691.35156	17.8
692.35071	5.4
727.33044	72.7
728.33673	13.9
741.51447	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.3
61.98831	56.0
65.99732	7.7
71.01402	18.9
71.55777	8.7
72.99300	7.0
83.70676	7.9
86.91769	7.1
89.02448	14.6
96.95983	21.6
101.02429	14.1
101.56026	6.7
131.11638	8.2
131.14766	7.5
140.63518	9.7
147.98427	7.8
173.04434	15.6
181.91052	7.7
184.01112	7.6
191.05719	12.7
199.09824	11.8
207.48965	8.9
293.21210	68.2
397.13574	100.0
398.13626	10.2
415.14554	33.4
611.66461	9.3
691.35480	28.4
692.34595	8.2
727.33075	65.8
728.33508	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	727.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25722	2.5
59.01382	26.0
61.98819	11.0
71.01379	10.1
78.90087	2.5
83.05054	2.9
83.17854	2.4
85.02937	4.3
89.02437	9.5
93.03490	3.1
95.23842	2.5
96.96008	13.4
101.02448	11.4
102.47733	2.5
103.21915	2.6
113.02435	5.1
119.03506	2.9
125.02409	2.3
143.72731	2.4
161.04532	2.7
173.04514	4.9
175.09886	2.7
191.05582	9.2
235.16991	14.7
238.23236	2.5
264.50281	2.5
275.20175	22.1
282.15134	2.9
293.21246	73.3
294.21530	7.8
332.03592	3.2
397.13535	75.7
398.13971	5.6
415.14514	37.5
416.14655	5.3
617.24646	2.7
658.83484	3.1
673.34143	5.1
691.35742	14.0
702.39502	3.1
727.33099	100.0
728.33301	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	727.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	3.1
59.01114	3.1
59.01381	39.4
61.98838	19.9
70.92757	4.4
70.93087	3.1
71.01380	18.3
75.72985	3.1
85.02939	5.5
89.02430	9.8
93.03465	5.2
96.96005	14.6
101.02447	13.0
113.02471	6.6
121.03013	3.5
125.02411	3.1
171.10220	9.1
173.04572	3.4
183.13989	3.8
191.05592	10.3
207.10246	3.9
211.13402	3.8
215.27545	3.0
235.08102	6.1
248.31163	3.1
251.17459	3.1
253.09174	3.4
275.09445	3.3
275.20093	7.9
276.18695	3.5
293.21231	72.0
294.21558	7.7
305.00742	3.5
305.08823	3.3
341.20465	3.3
397.13486	96.2
398.13632	5.4
415.14667	44.3
415.55621	3.8
416.14816	4.1
691.35345	17.4
727.33008	100.0
728.33496	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	727.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
57.03452	4.8
59.01384	35.9
64.73894	0.8
67.01867	2.2
69.03462	8.2
69.68914	5.1
71.01381	22.1
72.99300	2.7
73.02949	12.6
81.03468	4.1
83.01387	6.5
83.05017	3.9
84.19704	1.1
85.02954	59.7
86.03260	0.9
87.00878	100.0
88.01216	1.2
93.03463	6.6
95.01386	21.1
96.96014	2.1
97.02956	28.8
99.00858	1.9
99.04517	3.6
101.02439	2.4
103.04021	10.5
107.05019	1.2
108.02173	1.3
108.08469	0.8
109.02958	9.4
111.00867	9.7
111.04507	1.5
113.01728	1.6
113.02456	20.8
115.00380	11.0
115.04008	1.8
123.04524	1.8
125.02410	2.6
127.04025	16.4
129.01941	2.4
135.04533	1.0
137.02457	5.2
139.00381	16.1
139.04008	1.1
141.05635	1.5
145.05077	5.7
149.02341	0.9
153.01955	1.4
155.03479	4.0
157.01421	11.7
163.03871	0.9
169.05011	2.5
171.02982	2.3
173.04504	3.5
175.02481	53.9
176.02791	1.4
179.03491	1.6
179.34819	0.8
181.01404	1.6
183.58775	0.9
191.05692	1.2
199.02478	39.0
200.02779	2.0
213.04160	1.3
217.03506	21.6
218.03935	1.3
241.03494	1.7
285.06137	2.1
303.03809	1.1
303.07205	19.8
321.08157	6.4
337.09003	1.6
345.08267	9.9
387.09335	17.8
388.09464	1.2
389.92404	0.9
405.10492	9.0
406.10895	0.9
521.11829	1.1
563.12311	2.9
581.13800	1.1
623.14722	7.7
624.15125	1.6
685.18036	2.3
709.18170	18.4
710.18365	4.9
727.19275	30.8
728.19946	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	725.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.40323	0.2
57.03450	2.2
58.00579	0.7
59.01382	16.0
61.98840	0.6
69.03460	1.9
69.56031	1.0
69.56438	0.9
71.01382	12.9
71.01779	0.6
71.05010	0.4
72.02786	0.3
72.99300	0.9
73.02941	2.2
75.00879	1.0
81.03459	0.4
81.34950	0.3
83.01379	1.6
83.05010	0.7
84.02160	0.6
85.02953	10.7
85.72744	0.3
87.00887	1.8
89.02444	7.9
93.03461	0.7
95.01382	1.1
95.05044	0.7
95.50377	0.3
96.96017	3.1
97.02950	1.9
97.06584	2.0
98.20595	0.6
98.95585	0.8
99.00871	1.2
99.04482	0.3
101.02446	8.6
103.00367	0.3
103.32596	0.3
111.04506	0.4
111.08152	0.3
113.02454	5.1
119.03510	2.8
119.08639	0.3
125.02460	2.0
125.09728	0.6
127.11334	1.3
131.03549	0.5
136.07764	0.3
137.09726	2.2
143.03535	1.3
149.04564	0.4
153.09067	0.3
155.10783	0.5
155.14305	0.3
161.04523	1.4
163.07837	0.3
165.12831	0.6
167.14378	0.7
171.10272	21.7
172.10573	0.9
173.04546	1.0
177.12814	0.6
179.03516	0.4
179.05614	2.0
183.13895	3.4
185.11844	0.7
191.05597	2.1
193.12366	0.6
201.11322	1.3
203.10715	0.4
209.11798	0.9
211.13391	11.1
212.13715	1.4
218.36182	0.3
221.06746	0.4
221.11789	2.2
227.12866	0.3
229.14445	8.5
235.08136	1.3
237.60530	0.3
239.12851	1.0
247.20526	0.3
251.16801	0.3
253.09340	0.5
291.19650	2.6
302.58301	0.3
309.20706	1.6
327.21756	100.0
328.22095	9.6
328.26044	0.5
359.27936	0.6
397.13522	2.9
415.14560	26.3
416.14969	2.1
456.04678	0.3
466.27213	0.4
487.89658	0.3
503.32117	0.8
521.32910	0.6
545.29578	0.4
621.36810	1.2
639.37555	0.7
665.37506	8.1
666.38129	1.4
681.39032	6.1
682.38098	0.8
683.38440	4.4
684.38641	0.8
725.23285	0.7
725.36481	9.0
726.36584	2.1
746.40253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66543	0.3
57.68963	0.3
58.48160	0.3
59.01377	2.5
67.01863	0.5
68.18992	0.3
69.51916	1.9
71.01376	1.4
73.02926	0.5
74.17191	0.3
80.29732	0.3
85.02950	6.0
87.00860	1.7
89.02456	0.4
93.03450	3.0
96.96004	10.2
98.95580	0.3
101.02402	0.5
109.02924	0.5
111.00896	0.4
111.04533	0.9
111.84587	0.3
119.05032	1.6
123.35455	0.3
127.04002	1.5
129.01808	0.4
131.07126	0.6
135.04483	0.3
145.02940	0.9
155.38560	0.3
163.04022	2.3
171.03036	0.3
173.04529	3.7
191.05594	100.0
192.05940	4.2
227.12943	0.3
258.57336	0.3
271.39011	0.3
337.09256	27.3
338.09653	3.1
360.23889	1.2
423.75879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03441	2.1
58.00596	0.5
58.85647	0.2
59.01377	11.6
61.98819	1.9
66.93873	0.2
69.03446	1.9
71.01377	8.7
71.56171	0.4
72.43998	0.3
72.99287	0.7
73.02957	1.4
75.00867	1.2
81.03441	0.6
83.01382	1.2
83.05016	0.7
85.02945	10.5
87.00851	1.4
89.02442	7.7
93.03454	0.9
95.01390	0.7
95.05059	0.5
96.96001	5.4
97.02941	2.3
97.06601	2.5
97.95873	0.3
98.95587	1.7
98.96425	0.4
99.00861	0.6
101.02435	6.2
109.02990	0.3
110.03740	0.3
111.00866	0.4
111.04497	0.3
113.02444	3.3
116.92817	0.3
119.03521	1.6
119.04964	0.4
119.08661	0.4
123.04502	0.3
123.08139	0.3
125.02436	1.8
125.09704	1.5
125.38203	0.3
127.11285	1.2
131.03481	0.3
135.04521	0.5
137.09695	1.9
141.01952	0.3
143.03529	0.9
149.04634	0.3
153.09164	0.3
155.10757	0.7
161.04556	1.2
165.12816	0.7
167.14452	0.3
171.10268	24.6
172.10608	1.2
173.04506	1.3
177.12813	0.3
179.03296	0.3
179.05602	1.9
183.13911	3.3
185.11772	0.7
191.05623	3.1
193.12285	0.5
195.13902	0.3
197.11766	0.5
199.13588	0.3
201.11270	1.7
203.10803	0.4
209.11946	1.3
209.13515	0.3
211.13383	10.8
212.13757	0.5
213.11252	0.4
221.06732	0.6
221.11780	1.6
227.12869	0.6
229.14407	6.3
230.14725	0.6
235.08228	1.6
239.12865	1.2
251.16600	0.4
253.09262	0.8
263.07767	0.4
269.17511	0.5
275.09283	0.4
291.19635	2.5
292.20032	0.4
296.38937	0.3
309.20697	1.5
323.09976	0.3
327.21735	100.0
328.22098	10.1
397.13550	2.9
415.14539	27.9
416.14810	2.4
617.61151	0.3
621.36774	0.3
665.36993	2.4
681.38251	0.8
683.38312	1.3
725.23273	0.6
725.35944	8.2
726.36511	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	724.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
56.09277	0.7
57.03442	2.1
58.00602	1.3
59.01384	27.5
61.98832	4.7
64.55195	0.9
70.02987	2.5
71.01384	46.4
72.99306	3.6
73.02950	12.5
75.00892	1.0
80.38631	0.8
81.03459	1.1
83.01383	6.0
85.02954	16.1
86.00080	1.4
86.02485	11.7
87.00866	4.3
88.98801	1.1
89.02448	5.4
93.03455	1.9
95.01403	2.5
96.96042	5.3
97.02970	3.4
97.81763	0.8
99.00886	8.3
100.04055	1.5
101.02438	20.4
111.00897	3.1
112.01645	1.3
113.02453	14.3
116.03568	1.9
119.03483	1.0
119.05063	1.5
123.08244	0.8
124.01681	1.6
125.02480	3.8
129.01944	1.2
137.02452	1.3
143.03546	1.6
159.02919	1.9
161.04564	2.4
171.10297	4.0
173.04521	4.5
177.12839	1.0
179.03500	1.6
191.05611	6.7
201.11465	0.9
209.11856	1.7
211.13402	1.8
229.14420	1.0
239.20180	2.4
262.21796	2.1
263.20050	1.1
308.22574	1.0
325.20184	2.3
326.20575	1.9
327.21826	12.1
327.25443	1.6
334.13818	0.8
344.24368	3.7
384.86224	0.8
387.23752	2.9
404.01437	0.9
415.14569	3.6
417.24911	5.7
425.25281	1.2
431.26199	1.1
452.26724	1.1
478.30222	2.2
488.28403	4.0
506.29688	8.2
507.30106	1.6
510.16650	1.0
520.30920	1.8
549.29517	2.0
574.32281	2.4
592.33429	4.7
620.32867	100.0
621.33167	17.3
634.34283	7.2
635.34814	1.2
638.23389	1.6
638.33972	26.8
639.34283	5.8
652.35504	21.1
653.35492	2.8
665.37762	1.5
680.35004	38.0
681.35431	6.9
706.32880	1.7
725.36353	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	723.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38653	1.6
57.03445	2.8
58.00583	2.4
59.01377	51.4
61.98811	7.0
69.75015	8.5
71.01381	29.5
72.99305	2.8
73.02959	3.1
78.95898	2.4
83.01370	2.6
85.02934	8.1
87.00854	6.0
89.02431	23.7
95.01419	2.1
96.96007	15.7
97.02931	4.8
101.02431	24.1
108.80245	1.7
112.32079	1.6
113.02441	10.1
119.03481	6.3
125.02457	9.2
143.03519	3.2
161.04546	5.3
173.04507	2.1
179.05548	3.7
191.05551	2.5
209.11760	6.5
235.08208	7.8
253.09259	3.5
265.21689	77.3
266.21997	8.5
277.21661	4.8
280.57040	1.9
287.07629	3.7
299.35779	1.6
305.08728	4.2
397.13470	100.0
398.13849	9.1
415.14578	39.7
416.14862	3.7
663.35669	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	723.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01391	0.7
61.98808	0.2
66.97278	0.1
68.76175	0.1
71.01389	0.4
75.00871	0.2
79.95739	3.4
85.02946	0.4
86.85178	0.1
87.00868	0.1
89.02422	0.2
93.03474	0.2
96.96014	100.0
97.95957	0.3
99.04517	0.1
101.02454	0.4
109.06562	0.1
113.02436	0.3
114.78411	0.1
125.02438	0.2
126.95700	0.1
135.04527	0.2
161.04617	0.1
171.10301	0.2
173.04541	0.3
179.03452	0.2
181.05205	0.1
183.04659	0.1
183.13925	0.2
187.22121	0.1
191.05653	0.8
209.11765	0.2
227.10661	0.1
269.04630	0.2
270.04678	0.1
271.93692	0.1
288.07010	0.1
297.23663	0.1
315.14795	0.1
325.20227	0.4
389.28946	0.1
397.13675	0.2
415.14563	0.3
417.15668	0.4
625.26898	0.2
634.52985	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17897	0.3
57.03453	0.7
59.01385	1.9
60.99304	0.9
61.98833	2.5
67.01886	3.9
69.03452	0.9
71.01369	3.4
71.55917	0.5
77.48718	0.3
81.03452	1.0
83.04996	0.7
85.02522	0.3
85.02935	1.8
87.00867	0.8
87.30253	0.3
89.02473	0.3
90.72929	0.4
93.03453	24.5
94.03773	0.5
96.96017	2.9
109.02956	1.0
111.00856	0.9
111.04520	4.0
119.05022	10.7
127.03958	0.4
136.01666	0.7
137.02435	3.9
141.02769	0.4
145.02971	0.6
151.04016	1.4
155.03490	3.5
163.03999	16.7
164.04323	0.9
173.04536	100.0
174.04878	4.5
183.94238	0.4
191.02010	0.8
191.05586	7.0
262.34894	0.4
264.73410	0.4
337.09265	37.2
338.09503	2.7
357.13593	1.4
425.43213	0.4
522.29547	0.5
723.22729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03437	1.3
58.00591	1.5
59.01379	34.2
61.98827	3.1
69.03448	2.4
71.01380	28.9
72.99300	2.9
73.02950	4.8
75.00847	0.6
81.03442	1.3
83.01408	3.4
85.02949	7.9
85.03408	1.0
87.00880	6.7
89.02441	30.2
95.01392	2.1
96.95977	0.9
97.02949	4.1
99.00866	1.6
101.02441	22.0
103.04044	0.7
112.21204	0.7
113.02448	11.4
114.02729	0.6
119.03500	7.2
119.05018	0.6
121.02925	1.0
123.61507	0.6
125.02443	10.3
127.04074	0.7
131.03459	0.9
133.05109	0.9
139.04021	1.0
143.03482	4.1
149.04581	1.2
151.07570	0.6
161.04564	7.2
163.03993	0.9
169.05034	0.7
171.10217	0.7
173.04411	1.1
179.05624	5.3
191.05534	1.7
209.11935	0.8
215.12970	4.3
219.21213	1.1
221.06599	1.7
235.08202	11.8
242.05054	0.7
245.06616	0.9
253.09265	4.3
263.07809	1.0
263.20139	66.9
264.20490	7.0
287.07617	4.0
305.08762	3.0
323.09912	1.4
379.12360	0.7
397.13489	100.0
398.13794	8.9
408.99811	0.7
415.14551	34.7
416.14963	3.5
661.34204	2.1
662.34814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03444	1.3
58.10763	0.4
59.01379	6.9
59.01658	0.8
61.98827	1.2
63.05772	0.5
69.03464	0.7
69.22575	0.4
69.27144	1.5
69.27571	2.1
69.38500	0.4
71.01383	6.3
71.05018	2.7
73.02933	1.1
79.67610	0.4
80.02680	0.9
81.03455	1.2
82.12119	0.4
83.01373	0.6
83.05023	3.1
84.02191	0.5
85.02954	2.4
87.00877	1.0
89.02448	2.5
93.03478	0.7
95.01368	0.7
95.05022	0.6
96.82353	0.4
96.96015	1.6
97.02977	2.4
97.06610	2.2
99.00881	17.0
100.01207	0.5
101.02442	3.6
109.06542	1.0
110.03736	0.6
113.02443	2.4
119.03566	0.5
123.08126	1.2
125.09727	5.9
135.08153	1.2
136.05246	0.5
143.03477	0.5
145.10164	0.5
151.27171	0.4
153.12842	0.6
161.04558	0.9
161.09662	0.8
163.11288	10.0
164.11588	0.8
165.12817	1.0
171.10287	1.9
173.04530	1.8
179.03517	0.8
181.12340	15.2
182.12642	0.5
191.05612	4.1
191.10699	0.4
197.11821	1.4
199.13390	10.2
207.10257	22.0
208.10562	1.8
209.11824	27.9
210.12152	1.7
223.13326	0.7
225.11320	35.0
226.11617	2.3
227.12923	2.5
235.08295	0.5
243.12357	21.2
244.12679	1.4
253.09325	2.0
305.17474	0.7
339.48102	0.4
345.34662	0.4
383.25656	0.4
453.37021	0.5
461.20358	1.6
479.21356	5.0
617.35516	2.6
635.36438	1.4
671.32892	1.7
677.37323	1.4
689.33868	100.0
690.34174	17.9
703.31915	0.7
721.36621	8.0
722.36493	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	721.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16037	0.2
57.03436	0.3
59.01371	1.7
61.04247	0.2
69.03458	0.3
71.01370	0.9
71.56225	0.3
73.02936	0.2
81.44983	0.2
85.02944	0.3
86.48924	0.2
87.00877	0.4
89.02415	0.3
93.03452	1.4
93.07085	0.2
95.05001	0.8
96.96004	4.3
98.95587	1.9
98.96423	0.3
101.02444	0.5
106.04253	1.0
107.05032	0.3
108.02141	0.5
109.06579	3.2
113.02425	0.3
119.05025	14.5
120.05382	0.3
121.02970	1.4
121.06612	0.4
122.03740	2.8
125.02446	0.3
132.05797	0.5
134.03763	0.2
135.04523	4.6
136.05302	2.8
147.04564	0.5
148.05247	0.3
149.06075	6.4
149.07256	0.4
150.06470	0.2
161.06087	0.3
173.04536	0.6
175.02441	0.2
177.01996	0.2
177.09187	0.3
189.09164	0.8
191.05606	0.9
191.10741	0.4
192.06070	0.2
201.09172	0.6
203.10786	0.4
205.12326	0.8
209.11726	0.2
242.09396	0.2
243.10240	5.9
244.10692	0.5
255.10234	1.7
267.17502	0.7
311.16498	100.0
312.16852	11.8
335.16385	0.4
455.20709	6.3
456.21097	0.8
473.21783	8.5
474.21759	1.2
515.22821	27.0
516.23187	5.0
531.82275	0.2
615.99829	0.2
617.26202	0.6
635.26221	0.3
645.43011	0.2
677.27545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89557	0.2
59.01391	1.5
61.98833	0.5
65.03977	0.2
69.03446	0.6
69.29364	0.7
69.29787	1.1
71.01366	1.5
73.02943	0.3
79.05537	0.3
79.95764	0.4
85.02966	0.5
89.02421	0.4
93.03464	0.6
93.07123	0.3
95.05030	2.6
96.61749	0.2
96.96014	9.1
99.00908	0.4
101.02430	0.5
106.04243	0.7
108.02156	0.7
109.02959	1.2
111.04539	1.0
113.02451	0.5
119.05016	2.7
121.02955	5.3
122.03746	3.0
123.04494	0.7
132.05795	0.9
133.06604	3.2
134.32024	0.2
135.04521	3.7
137.06090	0.7
145.06497	0.2
149.06085	0.4
161.04570	0.3
161.09738	2.1
162.10135	0.2
163.11166	0.3
164.04794	0.5
171.10223	0.6
173.04552	0.7
174.10445	0.3
181.12331	0.3
187.11282	7.8
188.11629	0.5
189.12852	3.3
190.13072	0.4
191.05603	1.4
197.11893	0.3
207.10211	0.3
209.11832	1.1
211.11177	0.2
225.11299	0.6
227.12926	0.2
233.74635	0.3
243.10060	0.3
247.13278	0.3
265.14331	0.3
267.17697	0.4
269.15482	0.9
270.15823	0.3
305.17844	0.4
311.16519	100.0
312.13229	0.5
312.16852	10.8
319.93030	0.3
323.18738	0.3
335.16516	0.6
350.41003	0.3
353.18192	0.3
415.14630	0.4
427.76898	0.2
455.20724	5.4
456.21246	0.6
473.21793	8.5
474.22107	0.9
515.22833	17.3
516.23224	3.2
524.35535	0.3
663.28247	0.3
689.33630	1.1
703.31897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68559	0.2
52.68803	0.2
59.01379	1.8
61.98814	0.5
65.03918	0.3
69.03454	0.5
69.26389	1.8
69.26787	0.3
71.01384	1.7
73.02937	0.4
74.22000	0.2
79.05535	0.3
83.04980	0.2
85.02937	0.6
89.02441	0.7
91.05518	0.3
91.39717	0.2
93.03456	1.4
95.05020	2.3
96.96000	2.3
99.00860	0.4
101.02434	0.9
102.66094	0.2
106.04213	0.4
108.02161	0.6
109.02978	1.2
111.04518	1.0
113.02412	0.4
119.05020	2.8
120.40779	0.2
121.02950	7.1
122.03792	3.1
123.03392	0.3
123.04509	1.1
126.97997	0.3
132.05818	1.4
133.06575	3.0
135.04520	4.8
137.06068	1.1
145.06587	0.3
148.92386	0.3
149.06050	0.3
161.09724	1.8
164.04779	0.8
171.10225	0.8
173.04515	1.4
187.09569	0.5
187.11270	9.5
188.11612	1.7
189.12909	2.5
191.05556	1.4
197.11824	0.3
207.10283	0.4
209.11795	1.9
225.11353	0.7
227.12892	0.3
253.09322	0.3
265.14413	0.3
267.17490	0.5
269.15411	1.1
287.16534	0.3
289.07562	0.3
305.17493	0.6
309.14865	0.6
310.15222	0.7
311.16489	100.0
311.63828	0.3
312.16843	11.8
323.18787	0.6
335.16354	0.4
388.96741	0.3
397.13403	0.4
415.71878	0.3
455.20752	6.2
456.21136	0.8
473.21765	9.5
474.21936	1.4
515.22760	17.9
516.23090	2.9
615.73853	0.3
617.25989	0.6
677.28076	0.9
685.30774	0.3
703.31561	0.4
721.33618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.4
69.66001	4.8
69.66406	2.2
71.01385	6.0
89.02442	9.9
98.20711	1.7
101.02437	2.9
113.02460	2.0
119.03492	2.7
161.04575	1.4
179.05621	3.0
215.03305	5.4
222.64905	1.3
237.59308	1.0
239.32774	1.1
269.90317	1.1
341.10828	21.6
342.11160	1.5
377.08521	100.0
378.08902	8.4
408.55652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22750	0.6
55.01857	0.7
57.03444	1.2
59.01382	7.5
61.98825	6.1
69.03461	4.1
71.01384	6.0
71.05009	2.0
71.55730	0.6
73.02944	1.3
80.96510	0.7
81.03457	1.2
83.01389	1.2
83.05016	5.5
83.91115	0.6
84.02161	1.2
85.02940	2.3
87.00869	0.9
89.02434	3.9
93.03432	1.9
95.05042	0.7
96.95979	3.2
97.02933	1.1
97.06570	0.7
99.00845	1.1
101.02464	4.0
111.04479	0.7
113.02434	2.9
119.03446	1.3
123.08146	1.2
125.09745	3.5
135.08113	0.7
151.11266	2.5
153.12781	1.3
161.04533	1.5
161.09737	4.9
163.11261	4.0
165.12799	1.9
173.04475	2.8
179.10768	7.3
191.05614	5.2
191.10660	0.7
197.11815	77.5
198.12202	4.4
209.11807	61.4
210.12172	3.6
216.42743	0.6
223.09671	1.0
225.11443	0.7
227.12868	3.1
241.10817	4.4
253.09258	3.7
253.11470	0.7
379.28809	0.6
459.19290	0.8
477.19437	2.7
543.24152	0.8
552.98859	0.7
687.32257	100.0
688.20685	1.1
688.32562	20.7
688.43939	1.5
719.35028	32.7
720.35461	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	719.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38704	0.9
58.66182	1.0
59.01376	6.5
59.22089	0.9
67.75143	1.0
69.46905	6.8
71.01371	4.8
79.26167	1.0
84.95676	0.9
85.02940	3.2
89.02445	8.5
94.48228	1.1
101.02433	3.2
113.02472	2.1
119.03492	3.2
129.16620	1.0
135.04488	4.4
148.77257	1.1
179.05588	5.1
202.02612	1.0
215.03261	3.3
341.10858	20.0
342.10977	1.2
374.18030	1.1
377.08554	100.0
378.08981	6.8
626.97717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30033	0.5
54.52436	0.6
59.01371	6.3
61.98830	1.2
67.01891	1.1
70.03858	2.7
71.01385	2.6
72.56304	0.6
73.02949	1.0
81.03449	1.0
83.05032	1.4
85.02943	14.9
87.00867	3.2
93.03448	9.2
96.96003	2.8
99.04526	0.8
104.03583	1.0
108.02168	0.8
108.77465	0.6
109.02952	2.1
111.04494	4.0
111.19816	0.6
113.02412	0.9
119.01334	0.8
119.05023	0.7
119.39893	0.6
123.76015	0.6
126.64894	0.6
127.04025	4.2
133.02936	1.0
134.03772	0.7
135.04509	0.7
136.14302	0.7
137.02411	1.3
145.03035	0.8
147.04549	0.9
155.03503	3.7
159.10280	1.6
171.03008	0.8
173.04536	11.0
191.05608	94.6
192.05948	3.5
206.08063	0.9
209.06039	0.6
221.05995	1.2
221.28191	0.5
222.06879	1.1
237.05536	2.0
238.06290	2.7
248.04839	0.9
249.05566	1.9
250.06282	2.4
251.07062	1.0
265.04990	3.1
266.05804	13.2
267.06470	3.0
268.07349	8.7
269.07794	0.7
277.05066	2.6
281.08228	1.9
283.09714	7.2
293.04547	16.5
294.05295	30.5
295.05722	2.2
297.03973	1.0
309.04276	1.3
309.07681	14.8
310.07922	1.6
312.06433	2.5
325.07266	0.9
327.08722	7.4
328.09195	1.0
333.15576	2.6
338.04245	6.0
353.06631	100.0
354.06979	9.2
426.52179	0.6
501.14047	11.6
502.14423	1.3
527.11890	59.6
528.12177	8.0
545.13092	6.3
546.13287	0.9
719.18207	8.0
720.18518	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	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.45156	0.1
61.98825	100.0
62.98522	0.3
71.01392	0.6
76.95104	0.1
76.98969	0.1
89.02448	0.4
97.96732	0.1
101.02451	0.3
119.78627	0.1
230.26300	0.2
235.08244	0.2
255.23402	0.4
256.23624	0.6
257.23700	0.2
276.28085	0.1
397.13654	0.3
398.13861	0.7
399.13931	1.0
400.14426	0.5
408.34393	0.1
408.39969	0.1
416.14636	0.2
417.15164	0.4
418.15192	0.2
499.36755	0.1
504.69110	0.1
716.72998	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78625	0.8
59.01106	1.5
59.01379	19.7
67.28280	0.9
69.03453	1.3
71.01378	15.3
73.02934	2.2
80.02657	1.7
81.03456	2.7
83.01412	1.6
83.05024	5.1
85.02937	3.0
87.00860	3.7
89.01919	1.6
89.02440	16.0
93.03461	1.3
96.96011	2.2
97.02927	1.3
99.00916	1.2
101.02430	12.5
111.21474	0.9
113.02453	5.7
119.03491	4.6
125.02470	4.7
130.05745	0.9
131.03465	1.5
143.03445	1.8
161.04541	3.1
163.11259	4.8
165.12827	2.4
173.04611	1.2
178.08875	0.9
179.05698	5.0
191.05630	2.1
191.08243	0.9
209.11813	100.0
210.12125	5.9
227.12875	18.5
235.08286	5.2
253.09538	1.4
287.07629	2.3
305.08740	2.2
397.13470	63.6
398.13895	5.4
415.14557	25.6
416.14688	2.3
501.17416	1.2
607.25836	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	714.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44788	0.4
57.69515	0.3
59.01373	1.5
61.98807	0.3
62.49417	0.3
71.01389	0.9
71.54606	0.4
81.03477	0.8
83.05045	0.7
85.02961	2.9
87.00898	0.7
90.12669	0.3
93.03466	3.2
96.96030	0.7
109.02973	0.4
111.04534	1.8
118.20529	0.3
119.05029	50.3
120.05368	3.4
127.04002	0.5
129.01973	0.4
137.02460	0.5
152.78090	0.3
155.03493	2.9
156.66742	0.3
163.04016	100.0
164.04347	7.1
164.05623	0.6
165.04523	1.2
173.04562	6.3
191.02019	0.7
191.05626	15.8
192.05956	0.5
209.02988	0.4
209.11867	0.4
213.54565	0.3
231.01175	0.6
259.90991	0.3
293.12531	0.3
337.09286	45.5
338.09619	5.5
339.09836	1.4
352.86325	0.4
377.04971	1.3
714.13971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84079	0.6
55.00560	0.6
55.01875	1.4
57.03448	2.5
58.00592	2.8
59.01377	100.0
60.01717	0.9
61.98820	1.3
65.63881	0.6
70.33340	1.5
71.01379	49.8
72.01757	0.8
72.99299	3.3
73.02940	8.8
83.01372	4.6
83.71904	0.6
85.02946	17.8
87.00875	3.7
89.02441	41.3
90.60164	0.7
95.01382	5.2
96.96053	2.9
97.02938	1.3
99.00883	2.3
101.02438	28.9
104.78022	0.6
113.02444	34.2
114.02767	1.0
119.03499	13.0
123.00820	0.6
124.62077	0.7
125.02458	2.0
131.03522	2.1
143.03491	4.9
149.04594	0.9
161.04543	10.1
171.50070	0.7
172.45135	0.6
173.04591	2.0
179.05602	8.1
188.20105	0.7
207.62053	0.7
213.15005	1.6
402.32660	0.6
449.29318	1.2
467.30453	1.0
497.27676	0.8
501.30917	1.1
611.34320	41.4
612.34729	8.2
629.35394	44.2
630.35779	8.5
671.36536	8.6
672.37567	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	714.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
59.88645	0.1
60.31948	0.1
61.63288	0.1
61.98831	100.0
62.98555	0.2
69.72935	0.5
71.01385	0.3
80.58290	0.1
81.23511	0.1
87.00877	0.1
89.02460	0.1
93.03490	0.2
96.96041	0.3
98.07127	0.1
109.49529	0.1
135.04547	0.2
136.01534	0.1
173.04590	0.3
190.10706	0.1
191.05661	0.5
287.66434	0.1
438.32431	0.1
637.22559	0.1
670.26324	0.3
697.24579	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65326	0.2
53.25421	0.2
59.01385	1.4
70.83208	0.4
71.01392	0.4
73.02930	0.3
81.03449	0.4
82.31785	0.3
83.05016	0.7
83.50920	0.2
85.02948	1.1
87.00870	0.3
93.03452	2.8
94.03806	0.2
108.51202	0.2
109.02953	0.5
111.04513	1.9
119.05019	42.8
120.05356	1.9
121.02905	0.2
127.04005	0.5
129.01953	0.3
135.04550	0.6
137.02411	0.4
145.02878	0.3
155.03491	1.9
163.03998	100.0
164.04338	5.1
173.04547	5.9
191.05594	14.0
192.05968	0.5
202.58815	0.3
242.37648	0.2
301.63367	0.3
337.09259	43.6
338.09637	4.5
375.04730	0.6
409.95380	0.3
429.38208	0.3
455.64841	0.2
713.14111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35851	0.1
55.01878	0.6
57.03447	1.4
58.00607	0.9
59.01381	100.0
60.01715	1.3
61.98832	1.9
64.68864	0.2
69.03452	0.9
71.01385	30.6
71.33181	0.1
71.55767	0.2
72.01736	0.6
72.99315	1.7
73.02950	8.8
75.00895	0.3
79.01910	0.1
81.03461	0.5
83.01387	3.6
85.02953	11.0
86.03288	0.3
86.12637	0.1
87.00874	2.4
89.02449	15.0
90.02791	0.3
90.72771	0.1
93.03473	0.3
95.01392	3.6
96.96038	0.7
97.02977	1.3
99.00889	1.8
99.04508	0.2
101.02449	15.9
109.02942	0.2
111.00883	0.3
112.01670	0.2
113.02456	26.8
114.02786	0.6
115.04040	0.3
116.92870	0.2
119.03508	6.0
124.01675	1.5
125.02451	3.5
126.02795	0.2
129.02019	0.3
131.03510	1.4
138.14877	0.1
142.02696	0.2
143.03499	4.9
144.03815	0.2
145.03020	0.2
149.04576	1.0
150.52039	0.2
155.03525	0.4
161.04565	8.5
173.04555	0.6
179.05617	4.1
179.07191	0.2
191.05624	0.7
203.05545	0.3
221.06650	0.3
223.03693	0.2
268.67072	0.2
321.43387	0.2
449.28848	0.9
467.30219	0.6
491.30188	0.3
533.31158	0.2
557.31342	0.4
575.32495	0.8
593.33313	6.9
594.33826	1.6
611.34338	32.1
612.34680	5.9
629.35413	12.0
630.35779	2.2
653.35455	3.5
654.35846	0.6
671.36530	6.9
672.36627	1.3
713.38824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43157	3.0
59.01381	22.7
63.51465	3.3
71.01346	12.0
89.02425	19.5
100.87720	3.8
101.02420	12.6
113.02412	5.0
119.03498	4.0
119.99512	3.1
125.02442	5.8
148.25853	3.5
179.05600	4.5
235.08110	5.1
251.13211	4.1
277.21680	41.3
278.21985	6.4
397.13495	100.0
398.13730	5.8
415.14484	35.0
599.81018	3.6
675.35968	6.6
711.33539	62.0
712.33722	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	711.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42218	3.4
59.01382	13.6
61.77295	3.5
65.48933	4.0
70.29690	8.6
71.01379	11.3
79.79958	3.5
80.31608	3.5
85.02914	4.0
89.02431	21.3
101.02468	9.0
113.02505	5.0
119.03490	5.7
124.49568	3.4
125.02446	3.5
143.03448	4.9
159.58264	3.5
161.04596	6.3
163.57591	4.2
179.05603	4.7
179.27129	4.0
213.45740	3.3
229.04744	3.8
235.08226	6.4
277.21744	42.4
278.22165	5.1
305.08667	4.9
389.74908	3.6
397.13486	100.0
398.13693	9.6
415.14615	29.2
431.75958	3.9
575.17596	4.0
675.36243	11.6
711.33685	66.8
712.34241	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	711.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10592	0.5
55.01863	0.8
58.00587	1.8
59.01376	34.6
60.01719	0.6
61.98815	2.2
69.03428	1.4
69.33614	2.2
69.34055	2.2
71.01377	25.2
72.99298	2.2
73.02940	4.2
75.00843	0.7
77.43775	0.6
81.03436	1.0
83.01379	2.2
85.02943	5.2
86.44621	0.5
87.00873	4.4
89.02436	29.6
95.01352	0.8
96.95999	0.6
97.02937	2.6
99.00893	1.3
101.02428	20.5
113.02444	10.5
119.03499	6.6
125.02426	6.1
131.03517	1.4
133.05038	0.7
143.03468	2.7
149.04494	0.9
152.69608	0.6
154.88832	1.1
161.04549	3.8
179.05576	5.0
185.04469	0.6
221.06540	2.7
223.13318	0.8
226.90829	0.6
235.08151	5.7
249.61201	0.5
253.09309	2.0
253.21695	22.7
254.22102	1.5
263.07645	0.9
287.07629	1.2
305.08658	1.5
397.13446	44.0
398.13696	3.9
415.14520	100.0
416.14899	8.6
425.63141	0.6
651.36310	1.3
711.39246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01383	49.9
61.98833	4.7
69.03456	2.0
71.01390	25.4
71.55660	1.4
72.99333	2.1
73.02945	4.6
83.01396	2.3
83.05029	1.7
85.02978	5.2
87.00903	6.6
89.02454	26.8
89.02997	1.7
93.03461	1.6
95.01404	1.8
95.05017	1.8
96.96030	3.8
97.02977	3.6
101.02442	22.6
113.02462	13.2
119.03512	6.1
123.39159	1.3
125.02464	8.0
133.02998	1.9
133.04956	1.3
134.03787	1.9
143.03490	2.5
145.41373	1.6
161.04527	4.0
173.04527	4.3
178.02719	2.8
179.05681	7.5
221.06648	2.0
235.08272	9.1
251.20166	83.6
252.20509	5.9
253.09406	2.3
275.09277	3.7
287.07642	4.6
305.08759	4.3
397.13501	100.0
398.13916	8.5
415.14587	31.5
416.14960	2.2
451.14496	1.4
649.34412	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	709.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54087	0.6
59.01387	1.1
60.73325	0.5
61.98832	0.8
63.10106	0.5
63.96238	1.4
67.01924	0.6
69.72910	2.7
71.01387	7.7
73.02944	1.9
78.95881	1.3
78.98582	6.2
79.95729	12.9
80.96513	81.5
85.02941	3.1
87.00864	2.5
94.98078	19.2
96.95991	1.5
97.02915	1.3
98.20448	1.7
101.02460	3.3
101.03047	0.7
106.98125	3.6
122.97550	3.1
125.02420	3.8
134.97592	6.2
136.99135	2.0
148.99112	7.4
152.98587	4.8
152.99623	0.9
164.98604	12.1
171.10268	2.3
188.49770	0.7
206.99664	2.9
207.76526	0.6
225.00716	19.6
226.01118	0.9
232.51030	0.7
255.23267	2.6
279.23068	0.9
430.85385	0.7
434.54395	0.6
453.14337	4.1
537.27753	0.7
655.11871	0.6
709.38330	100.0
710.26208	1.1
710.38654	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	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54264	0.4
59.01363	0.7
60.02812	0.4
63.96239	1.6
68.57481	0.4
69.89085	2.2
71.01384	8.2
72.99330	0.7
73.02945	2.0
78.98592	6.3
79.95734	11.8
80.96516	73.8
81.03442	0.6
85.02963	2.8
87.00883	2.9
94.98087	16.9
95.01391	0.6
96.96030	1.0
97.02941	1.2
101.02440	2.5
106.98094	3.1
118.29565	0.6
122.97586	4.3
125.02433	3.1
127.04066	0.5
134.97588	6.0
136.99139	1.7
148.99139	5.9
152.98627	5.7
161.65617	0.4
164.98618	13.3
167.00108	0.5
171.10272	1.8
179.84262	0.5
206.99683	2.9
225.00748	21.5
255.23251	1.1
279.23196	0.8
407.63492	0.6
451.31625	0.5
453.14282	4.1
488.06277	0.5
537.27197	1.4
709.38354	100.0
710.38672	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	709.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69900	1.2
52.65653	1.1
59.01378	14.7
61.98823	1.6
69.37328	2.8
69.37735	7.4
71.01392	2.8
76.27898	1.2
85.02949	3.3
89.02444	1.6
93.03457	2.9
96.95997	9.9
97.02953	1.2
101.02443	1.2
108.04514	1.4
110.06106	3.9
111.00892	3.1
113.02454	2.5
113.03635	1.3
122.06136	11.9
124.07697	1.5
129.05580	2.1
129.09280	1.2
132.66353	1.4
134.06108	1.3
135.04451	1.3
150.05595	1.6
153.00453	1.3
160.04100	3.2
161.04793	1.8
162.05644	1.2
163.03998	1.8
168.06721	1.8
173.04558	4.5
175.09760	15.0
188.03526	1.6
191.05623	12.1
197.78308	1.2
201.11360	6.4
209.11842	5.8
213.10274	3.4
214.10968	1.9
215.11870	4.0
217.10893	2.8
220.06108	1.8
225.10291	4.0
226.07462	2.1
226.11150	1.7
227.08231	4.5
227.11775	8.7
229.09712	1.5
229.13397	1.6
239.08304	2.5
241.09816	3.5
244.12157	2.8
245.13844	2.7
253.06050	1.6
253.09749	4.8
254.06917	2.9
255.07712	4.4
255.11386	6.0
256.08414	2.3
257.09528	1.3
265.09964	1.8
267.07660	1.5
267.11353	6.3
268.08572	3.2
268.11703	1.9
269.09344	5.1
271.10968	2.1
282.06570	2.0
283.07401	2.2
283.10880	6.4
284.03448	3.1
284.08029	3.2
285.04105	6.2
285.12427	3.1
293.09326	5.5
295.07382	1.5
296.08066	2.3
297.08826	2.9
298.09457	2.5
299.10403	1.7
311.10379	4.5
313.08209	2.1
314.08981	1.8
315.09924	1.9
316.10791	2.0
320.10443	2.2
322.15640	2.9
327.09872	6.5
328.10620	2.0
329.11392	2.0
334.11987	1.7
336.13574	2.4
336.17160	3.0
338.18619	7.2
343.12949	3.5
345.10986	2.0
346.12173	1.5
347.12781	1.9
348.13437	4.3
348.17154	2.3
349.10449	2.0
350.14963	2.4
350.18753	4.1
352.12766	1.4
357.10580	3.4
360.09698	1.9
362.15121	3.3
364.16882	2.9
366.14499	5.7
366.18301	3.2
367.15237	1.7
368.19794	2.7
376.16736	2.6
378.14526	2.4
380.16190	2.3
386.11121	8.3
387.11987	4.8
388.12735	6.2
390.10724	3.1
392.16147	4.3
394.17599	3.1
396.15778	2.1
404.12387	3.5
406.18076	1.7
408.15448	3.2
410.17422	1.4
412.18814	9.0
418.13928	2.0
420.15698	2.7
433.16321	1.8
436.15253	3.3
438.16849	6.3
447.09387	9.4
450.16492	2.4
454.16245	4.5
468.17737	4.6
482.15543	6.5
494.15823	1.5
496.17212	5.2
510.18359	2.0
512.16742	15.2
513.17371	2.1
526.18347	3.9
527.19147	47.5
528.19525	14.9
559.18207	3.9
649.25159	15.9
650.25879	3.5
673.25372	5.0
691.26184	100.0
692.26410	24.1
709.27264	86.8
710.27570	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	707.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73672	1.6
56.40845	1.5
59.01361	6.5
61.98824	4.0
68.43351	1.4
69.23070	7.3
69.23486	5.9
78.95901	53.1
80.10487	1.4
96.96963	4.5
97.02921	2.5
98.19834	3.1
99.00888	6.6
109.06577	2.2
115.18401	1.4
122.16201	1.7
125.09693	1.8
130.13916	1.6
152.99577	82.8
162.54308	1.4
163.11264	5.3
171.00627	6.2
171.10214	2.0
181.12347	10.6
191.05731	1.7
199.09711	3.6
199.13322	5.2
207.10257	22.3
225.11304	39.6
226.11594	2.9
227.03180	3.4
228.83730	1.5
243.12325	25.4
245.04285	2.5
253.21684	4.3
379.11560	6.9
453.15292	14.6
471.16345	44.9
472.16504	4.4
636.75317	1.6
669.92859	1.7
689.36292	2.0
707.37708	100.0
708.37842	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50274	0.3
55.01875	0.7
57.03442	1.2
58.00591	1.1
59.01381	27.3
60.01695	0.3
61.59268	0.3
69.03453	2.8
70.83790	0.4
70.84123	0.6
71.01383	20.4
71.05023	0.4
72.99304	1.1
73.02946	3.6
75.00880	0.4
81.03452	1.4
83.01390	2.0
83.05015	0.8
84.02162	0.5
85.02952	4.4
87.00874	4.2
89.02444	22.1
90.02803	0.4
93.03466	0.7
95.01371	1.5
95.05032	0.7
96.96019	0.3
97.02344	0.7
97.02951	9.8
97.06568	0.8
98.03273	0.3
99.00882	1.3
99.04540	0.3
101.02444	15.8
103.03959	0.3
107.05003	0.4
109.02929	0.5
109.06593	0.9
111.00868	0.5
111.04520	0.6
111.08167	2.1
113.01721	0.5
113.02453	7.8
115.04028	0.5
119.03499	6.6
119.08636	1.0
121.02932	0.5
121.10221	0.3
123.04493	0.3
123.08157	0.3
124.01666	0.5
124.58006	0.3
125.02452	4.9
125.06039	0.3
125.09731	1.5
127.07697	0.3
127.11283	0.4
131.03470	1.0
133.05061	0.6
135.08134	0.7
137.09737	3.3
139.04033	0.6
142.02760	0.4
143.03523	2.7
148.73007	0.3
149.04510	0.7
151.11311	0.3
153.12805	0.5
161.04553	3.1
163.11266	1.7
165.12843	5.2
166.10039	0.4
167.03476	0.5
167.10820	0.5
169.12358	0.9
171.10269	8.5
172.10770	0.3
177.12805	0.6
179.05612	5.2
179.14442	0.9
181.04715	0.3
181.12299	1.5
183.13872	0.9
185.04532	0.6
185.11848	1.4
191.05602	0.5
191.14366	0.5
193.12383	1.0
193.15967	1.2
197.11842	7.2
198.12155	0.7
199.13394	0.5
207.10268	2.2
209.11838	4.0
211.13394	2.6
213.11270	0.4
217.07133	0.4
217.16158	0.4
221.06615	1.5
221.11874	0.3
223.13339	1.1
225.11356	1.4
227.12915	3.2
228.13078	0.5
235.08199	5.2
245.06784	0.3
247.20670	3.8
253.09258	2.5
263.07745	0.8
263.20273	0.5
273.18567	2.0
277.09271	0.7
285.99533	0.3
287.07690	1.4
291.19666	34.6
292.20041	3.4
305.08777	1.3
309.20712	100.0
310.21048	10.2
323.09866	1.1
327.21371	0.4
397.13498	41.1
398.13892	3.5
415.14575	36.3
416.14905	3.1
533.63647	0.4
604.37854	0.4
608.03339	0.3
689.34180	0.4
707.34534	2.1
708.35345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28814	0.2
52.61037	0.3
55.01875	0.9
57.03444	0.9
58.00594	1.5
59.01382	23.1
61.98810	0.4
63.14098	0.3
68.99805	0.3
69.03456	1.8
71.01384	17.9
72.82578	0.2
72.99313	1.2
73.02947	3.3
75.00848	0.3
81.03461	1.1
83.01389	1.8
83.05033	0.9
85.02956	4.3
86.86536	0.3
87.00876	3.4
88.30501	0.3
89.02450	18.4
90.02760	0.4
93.03487	0.4
93.07117	0.3
95.01388	1.4
95.05023	0.3
96.95999	0.5
97.02949	3.8
99.00900	0.9
101.02448	13.9
102.02739	0.4
108.02250	0.3
108.05433	0.3
109.02980	0.4
109.06599	1.1
111.00878	0.4
111.04485	0.4
111.08167	10.9
112.08492	0.3
113.02454	6.6
119.03500	4.4
121.02924	0.3
125.02454	4.4
125.09718	0.5
127.07652	0.9
131.03484	1.0
133.05057	0.5
137.09758	0.6
139.07643	0.3
141.01897	0.3
143.03503	2.4
149.04617	0.5
151.11279	0.6
153.09245	0.6
153.12820	1.0
155.03470	0.3
161.04555	3.1
163.11288	0.7
165.12839	0.6
167.03531	0.3
167.10736	0.5
169.12323	4.9
171.10219	1.7
173.04547	0.7
179.05637	4.0
179.10782	0.5
181.12331	1.3
183.13905	0.9
185.11868	0.5
193.12349	0.3
195.13948	0.5
197.11832	50.2
198.12152	3.3
199.13385	3.0
207.10277	1.5
207.13785	0.4
209.11797	2.0
211.13388	6.1
212.13676	0.5
217.07147	0.4
221.06679	1.2
225.11301	1.1
225.14967	2.8
227.12849	1.9
235.08253	3.7
247.20724	0.6
249.14957	0.8
251.16635	0.4
253.09239	2.1
263.07776	0.6
263.20151	2.4
265.18085	1.2
273.18576	0.7
274.57458	0.3
278.56680	0.4
287.07794	1.0
291.19653	15.5
292.19974	1.8
305.08838	0.9
309.20709	100.0
310.21024	11.0
323.09845	0.5
333.20712	0.3
397.13501	28.0
398.13867	2.2
415.14569	36.7
416.14850	3.5
435.22394	0.3
585.47644	0.3
604.37079	0.4
707.35162	2.8
708.35297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
58.00592	1.3
59.01376	35.9
61.98813	5.1
64.93858	1.1
69.03432	1.9
69.41467	2.8
69.41883	7.3
71.01377	30.1
72.99289	2.9
73.02939	4.3
78.95901	1.4
83.01381	3.3
83.05012	2.4
85.02941	9.0
85.38457	1.2
87.00872	7.5
89.02439	27.7
93.03452	10.1
95.01377	2.1
96.96001	5.7
97.02949	4.4
97.65557	1.4
98.19918	2.7
101.01788	2.0
101.02433	26.6
102.02868	1.2
111.04522	1.9
113.02439	11.4
119.03503	9.4
121.02980	2.4
125.02438	9.1
131.03473	1.8
133.02963	7.3
134.03725	9.9
135.04472	3.2
137.02397	4.6
139.03986	1.4
143.03496	5.5
149.04503	1.3
155.03476	2.2
159.12372	1.3
161.04581	5.9
173.04549	17.8
173.05952	1.7
174.06873	3.0
175.07645	2.6
177.01843	5.9
178.02696	15.8
179.03365	2.3
179.05545	6.2
189.10713	1.4
191.05602	12.6
203.10719	3.1
207.10027	1.3
209.11790	1.6
213.09186	2.3
231.10246	5.6
235.08260	10.4
245.06351	1.4
246.05391	1.5
247.09608	1.4
249.18564	65.0
250.18895	5.3
253.09161	2.4
256.03510	1.1
257.08249	1.9
275.09219	36.2
276.09543	3.2
285.03952	1.3
287.07687	3.9
305.08722	5.0
309.20663	2.5
309.24106	1.4
397.13477	100.0
398.13818	7.2
415.14526	37.8
416.14966	2.3
449.14719	8.5
468.67026	1.2
482.04739	1.8
499.24045	1.2
647.32306	2.7
648.32782	1.4
707.30396	2.0
733.08691	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	707.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49969	0.5
59.01373	2.1
61.58831	0.4
61.62446	0.5
61.98827	1.0
67.01887	1.0
69.03452	0.6
71.01377	7.5
71.26820	0.9
77.03975	0.9
78.95895	1.2
81.03452	1.0
83.05032	2.6
87.00862	1.0
89.03945	0.8
93.03452	10.9
95.05016	1.6
97.02959	0.6
97.06610	0.8
105.03455	7.8
106.04274	0.7
109.02949	1.2
111.04515	7.0
117.03476	1.7
121.02934	3.0
121.84634	0.5
123.04536	1.2
127.04032	1.0
129.01929	0.9
131.07327	0.5
132.02180	0.5
133.02948	37.6
134.03746	32.9
135.04536	10.1
136.04868	0.7
137.02443	16.3
139.03989	3.8
149.02412	0.9
150.03212	1.4
152.99539	0.8
155.03502	7.4
161.02408	0.7
162.03217	1.9
173.04546	20.2
177.01924	28.9
178.02699	81.2
179.03326	7.6
180.03856	0.6
187.07649	0.7
191.05598	5.1
192.04243	1.3
209.11842	0.7
213.09167	1.9
231.07928	1.0
231.10237	17.9
232.10732	1.3
247.09781	1.7
275.09232	100.0
276.09555	7.2
351.07245	1.3
357.58899	0.6
449.14462	7.6
450.14725	0.8
494.68027	0.6
707.29242	3.9
708.29022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01376	9.0
61.98832	5.2
68.77730	0.5
69.96890	1.1
69.97279	1.3
71.01381	8.4
71.86539	0.6
72.99282	0.7
73.02946	2.5
80.02671	1.7
81.03477	1.3
83.01369	0.9
83.05015	5.1
84.02172	1.3
85.02937	3.1
87.00871	2.4
89.02438	7.3
90.42896	0.5
93.03450	0.9
95.01409	0.8
95.05042	1.5
96.95955	0.8
97.02953	0.9
97.06595	1.6
99.00834	0.9
101.02446	6.7
105.61745	0.5
109.06574	1.4
111.08121	1.3
113.02444	4.4
119.03487	1.8
125.02491	0.9
125.06094	0.7
125.09732	0.8
135.04526	0.7
135.08136	1.0
143.03519	0.6
150.92329	0.6
151.11317	0.7
161.04539	2.9
163.11304	3.9
165.12820	10.5
171.10284	1.6
173.04527	1.4
179.05556	0.8
181.12268	1.3
183.13887	77.7
184.12796	0.9
184.14230	4.7
185.11771	0.7
191.05597	1.9
191.10774	1.2
207.10275	1.4
209.11815	80.8
210.12088	5.9
211.13368	2.2
225.11301	1.1
227.12863	12.4
235.08243	2.6
245.27299	0.6
253.09262	7.3
263.20059	1.1
265.14487	0.8
289.18100	1.9
307.19080	6.1
308.19318	0.7
339.95126	0.6
359.19839	0.7
397.13333	3.1
398.13843	1.2
415.14465	2.4
445.20676	1.6
463.21970	3.8
607.26117	1.9
608.26044	0.7
615.33441	0.9
655.33350	2.7
673.34344	100.0
674.34772	21.6
674.43665	0.4
705.37262	8.0
706.37012	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	705.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03448	4.6
58.00573	2.5
59.01377	45.1
61.98822	2.4
62.99050	0.6
63.31007	0.8
67.01880	1.0
68.99818	0.9
69.03458	3.5
70.03758	0.7
71.01379	37.4
71.56511	0.9
71.59740	0.7
72.01701	1.0
72.99297	2.9
73.02959	5.5
73.95319	0.6
75.00861	1.0
75.20130	0.7
80.02658	1.6
81.03450	4.8
83.01368	5.6
83.05011	3.1
85.02946	9.3
87.00874	10.0
89.02436	36.6
91.03979	0.8
93.03444	1.2
95.01375	2.5
95.05009	2.3
96.96004	1.6
97.02937	8.0
97.06583	5.7
98.05210	0.7
99.00871	2.9
101.02435	29.6
102.02777	0.9
106.04288	0.7
109.02946	1.6
109.06580	3.9
111.00874	1.0
111.04522	1.5
111.08122	1.7
113.02451	14.9
115.29309	0.7
119.03500	11.3
119.04992	0.8
121.02959	1.2
121.06570	2.3
123.04494	3.7
123.08233	1.6
125.02437	9.7
125.06060	1.3
125.09715	6.7
126.09930	0.7
131.03503	1.9
135.04448	1.0
135.08141	1.7
137.09702	3.5
141.01918	1.0
141.12830	1.0
142.02557	0.8
143.03511	4.5
149.04567	1.7
149.06058	0.7
149.09705	0.8
151.11281	2.8
155.10760	1.0
161.04549	7.2
161.09692	1.3
163.07605	0.7
163.11287	8.9
164.11551	0.8
165.09183	1.0
165.12825	5.3
167.10756	1.0
169.12245	0.7
171.10262	1.6
173.04570	2.1
177.12823	0.7
179.05594	9.1
179.10820	0.9
181.12331	4.2
183.13870	13.9
183.15376	1.1
184.14230	0.8
185.04524	0.7
185.11821	5.8
191.05609	1.7
191.10759	2.6
191.14395	8.9
197.11783	1.3
199.05988	0.8
199.13297	0.9
201.11348	0.9
204.44118	0.7
207.10237	9.1
209.11809	47.0
210.12172	2.9
211.13376	5.1
217.15988	1.2
221.06676	2.3
221.92012	0.9
225.11241	7.8
227.12880	8.4
227.17847	1.2
235.08186	7.2
237.11339	4.8
245.19070	18.3
246.19481	2.4
253.09229	5.1
256.02789	0.9
263.07553	1.8
263.20111	7.3
271.17014	2.2
277.09305	0.8
279.19626	1.3
281.21161	1.7
282.74951	0.7
287.07632	1.7
289.18066	75.5
290.18326	6.2
305.08615	1.6
307.19122	100.0
308.19424	8.2
323.09824	1.4
325.20248	1.3
397.13474	49.5
398.13837	4.7
415.14523	40.5
416.14914	2.7
461.20264	1.6
607.25995	9.7
608.26392	1.5
636.26617	1.0
673.34406	21.8
674.34717	3.3
687.32623	1.3
705.33624	11.1
706.34045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
58.00597	0.7
59.01378	21.2
69.03455	1.0
71.01380	14.1
71.05021	2.5
72.99300	1.0
73.02944	2.8
80.02666	0.6
81.03445	1.5
83.01392	1.5
83.05016	1.1
85.02954	3.3
87.00867	3.4
89.02444	16.5
91.03942	0.3
93.03481	0.7
95.01374	0.9
95.05032	1.5
96.96008	3.0
97.02966	2.5
97.06580	0.5
98.03733	0.7
99.00883	1.4
99.04520	0.4
101.02445	12.9
106.04259	0.9
109.02968	0.3
109.06592	8.4
111.04505	3.8
111.08157	1.0
112.05336	0.5
113.02450	6.8
115.03993	0.4
119.03506	5.6
119.04983	0.3
121.06628	0.5
123.08150	1.3
125.02438	4.4
127.04042	0.3
127.07624	1.4
131.03473	0.7
133.05144	0.4
135.04552	0.5
135.08130	0.7
137.06006	0.4
137.09717	0.8
139.03993	0.3
141.01915	0.4
143.03490	2.1
143.10745	0.8
145.06589	1.2
149.04597	0.7
149.09706	1.1
151.11275	1.0
152.01143	0.6
161.04539	2.9
163.11311	0.6
167.10745	1.9
169.12318	0.3
171.02846	0.3
171.10202	0.6
173.04485	0.7
177.12888	0.8
179.05630	4.3
179.10797	1.0
181.12355	1.2
183.14055	0.3
184.14064	0.3
191.05611	2.0
191.14397	0.6
195.13913	2.2
197.11873	0.4
199.13405	0.6
203.05460	0.4
207.10252	0.5
207.17570	0.4
209.11890	1.0
221.06616	1.2
225.11278	0.5
227.12869	0.3
235.08241	4.1
235.13342	1.1
245.13708	0.8
245.19095	4.6
246.19435	0.4
249.15019	0.3
251.16527	0.6
253.09207	1.4
261.18533	0.3
263.07874	0.4
271.16937	1.4
273.15021	0.7
285.04141	0.6
287.07779	0.8
287.16547	1.8
289.18082	100.0
290.18405	9.2
290.21555	0.6
305.08704	1.1
307.19171	8.3
308.19476	1.1
323.09879	0.6
397.13477	34.9
398.13696	2.8
415.14554	23.5
416.14822	1.6
559.15417	0.3
601.15485	0.3
645.35059	0.5
687.32336	2.0
705.32892	1.5
706.33649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03439	1.8
57.34190	0.4
59.01377	10.9
65.03949	1.0
69.03467	0.8
71.01378	8.8
71.05021	3.1
72.01709	0.5
73.02940	2.2
75.20403	0.5
76.75247	0.4
79.95715	1.1
82.95462	0.4
83.01377	1.2
83.05004	1.1
85.02942	3.2
87.00867	2.0
89.02448	6.7
93.03444	2.0
96.96009	30.2
97.02936	4.1
97.06584	4.1
98.19770	0.9
98.95580	0.7
99.00878	19.3
101.02426	5.9
109.06580	1.1
110.03709	0.9
111.04440	0.8
113.02435	3.3
119.03492	3.0
121.06590	1.8
123.08161	1.4
125.02414	1.0
125.09727	9.0
127.11300	0.8
135.04495	0.7
135.08150	1.7
136.05190	0.6
137.02486	0.5
142.02715	1.1
153.12842	0.9
155.14337	0.9
161.04527	1.7
161.09694	1.0
163.11272	9.4
164.59833	0.5
171.10295	2.9
172.72525	0.5
173.04512	2.1
179.03491	0.6
179.05606	1.8
179.10741	1.5
181.12331	15.1
182.12639	1.2
185.11815	1.6
191.05638	4.7
197.11790	5.5
199.13382	10.7
201.11327	2.4
207.10242	28.3
208.10596	1.9
209.11830	4.3
211.13358	0.9
225.11299	43.0
226.11649	2.5
233.15479	1.2
235.08118	0.9
235.13385	1.4
243.12347	26.8
244.12650	1.5
253.09293	2.1
260.19223	0.5
274.27737	0.6
289.18063	2.6
307.19183	4.6
308.19537	0.7
339.32574	0.6
397.13516	2.6
415.14371	2.5
419.12662	0.6
461.20282	1.3
479.21246	6.5
543.28076	0.9
554.20605	0.6
645.34705	4.3
661.31110	1.6
662.31787	0.7
687.32367	8.3
688.32727	1.4
705.33337	100.0
706.33667	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	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.3
57.03451	4.2
58.00587	2.4
59.01379	42.9
60.01688	0.5
61.98800	0.7
63.93419	0.4
67.01875	0.6
69.03458	3.3
71.01381	36.4
71.04997	0.6
72.01707	0.6
72.99312	3.0
73.02950	5.6
73.47783	0.4
75.00859	0.9
76.75118	0.4
80.02652	1.3
81.03072	0.4
81.03455	4.6
83.00934	0.3
83.01392	6.1
83.05030	2.2
84.02126	0.6
85.02948	9.1
87.00871	7.8
89.02444	38.6
91.03978	0.6
93.03435	1.3
95.01389	3.3
95.05016	2.1
96.95993	0.5
97.02349	0.7
97.02943	8.7
97.05994	0.4
97.06589	6.8
98.20649	1.4
99.00854	2.0
99.04530	0.6
101.02443	28.9
102.02743	1.1
106.04236	0.6
107.04986	1.1
107.08657	0.4
109.02933	1.2
109.06578	2.8
110.03687	0.7
111.00848	1.0
111.04490	1.6
111.08159	2.1
113.02448	14.6
113.06001	0.5
115.04012	0.6
119.02666	0.7
119.03499	13.0
119.04907	0.6
119.08651	0.8
121.02911	0.9
121.06570	1.4
123.04518	3.4
123.08159	1.8
125.01525	0.5
125.02449	10.1
125.06068	0.7
125.09727	7.0
127.03984	0.7
131.03476	2.2
133.05017	1.0
135.08121	1.8
137.02451	0.4
137.06073	0.7
137.09729	4.6
139.04036	0.5
139.11266	0.4
141.01944	0.9
141.09201	0.5
141.12787	1.1
142.02638	1.1
143.03511	4.6
149.04524	1.4
149.06084	0.9
149.09711	0.4
151.07614	0.5
151.11293	3.0
153.09178	0.6
153.12784	0.5
155.10809	0.6
159.08092	0.4
160.08824	0.6
161.03296	0.4
161.04567	7.1
161.09691	1.2
162.10420	0.5
163.07661	0.7
163.11287	9.3
164.11540	0.5
165.09151	0.7
165.12839	4.3
167.10750	0.9
169.12204	0.5
171.10211	1.6
173.04497	0.9
173.09641	0.6
175.11205	0.5
177.12817	1.1
179.04140	0.6
179.05617	8.6
179.10751	1.7
180.11211	0.4
181.12337	4.6
183.10448	0.4
183.13866	1.3
185.04456	0.6
185.11815	7.0
187.09679	0.4
189.09155	0.4
191.05560	1.6
191.10760	2.9
191.14394	9.5
193.08774	0.4
193.12378	0.6
197.11809	1.4
199.13412	0.5
202.13783	0.4
203.05547	0.4
205.12305	0.5
207.10262	7.2
209.11813	29.2
210.12177	1.7
211.13414	4.5
217.07141	0.9
217.15843	0.9
221.06627	2.1
225.11310	6.5
226.11766	0.6
227.12859	5.2
229.86961	0.4
229.89131	0.5
235.08192	8.7
237.11298	5.9
238.11661	0.4
241.10892	0.7
243.17436	0.6
245.06665	1.0
245.19087	19.1
246.19464	1.5
247.16995	0.6
251.12917	0.4
253.09245	4.9
257.05222	0.4
261.18469	0.7
263.07587	2.7
263.20142	6.1
264.20511	0.6
271.17010	1.7
272.87695	0.5
277.09308	1.0
279.19693	0.9
281.21124	2.1
285.03632	0.4
287.07745	1.5
287.16458	0.5
289.18076	78.3
290.18420	7.0
305.08795	2.1
307.19128	100.0
308.19482	9.4
309.20749	1.0
323.09857	1.1
325.20209	1.3
344.77896	0.5
366.24738	0.4
379.12326	1.3
397.13480	50.6
398.13800	3.3
415.14545	45.6
415.20435	0.6
416.14902	3.7
461.20438	1.0
505.12396	0.4
607.25983	8.0
608.26703	1.1
622.24725	0.7
639.95941	0.5
673.34552	1.5
687.32721	1.6
705.33057	9.4
706.33777	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29438	0.3
57.03434	1.1
58.00588	1.0
59.01381	20.3
61.98816	0.9
69.03451	1.1
69.27956	3.3
71.01384	17.2
71.05017	2.1
72.01723	0.4
72.99297	1.2
73.02956	2.8
75.00878	0.4
81.03471	1.9
83.01398	2.3
83.05022	1.7
85.02941	4.0
85.91906	0.3
87.00881	3.0
89.02445	19.2
93.03446	1.1
95.01383	1.7
95.04994	2.0
96.96012	4.3
97.02955	2.4
97.06590	0.6
98.03724	0.8
99.00849	1.4
101.02441	13.4
106.04224	1.0
107.01326	0.4
107.04961	0.4
109.02924	0.7
109.06590	9.1
110.06845	0.4
111.00768	0.4
111.04532	3.8
111.08148	1.2
112.91959	0.4
113.02451	7.1
117.06973	0.4
119.03493	5.5
119.08656	1.2
121.06596	0.7
123.04478	0.4
123.08195	1.7
125.02453	4.6
125.09703	1.0
127.04066	0.3
127.07637	1.5
128.03529	0.4
131.03496	0.6
131.04967	0.4
133.02881	0.4
135.04523	0.5
135.08154	1.1
137.02469	0.3
137.06061	0.4
137.09714	0.8
139.03996	0.6
141.01956	0.5
143.03510	2.7
143.10777	0.9
145.06610	2.1
149.09683	1.3
151.00342	1.0
151.11290	0.6
161.04567	3.7
163.11299	0.6
167.10747	1.8
169.12253	0.4
171.10233	1.4
173.04544	2.3
177.12816	0.4
179.04021	0.5
179.05592	4.2
179.10764	1.5
181.12315	1.1
185.04385	0.4
185.11804	0.6
188.97745	0.4
191.05606	2.4
191.14435	0.9
195.13866	2.6
197.11835	1.4
199.13309	0.4
207.10248	0.8
209.11809	2.2
217.07309	0.4
221.06613	1.6
225.11320	1.1
227.12956	0.4
235.08237	4.0
235.13402	1.1
241.10852	1.4
245.19069	4.9
246.19341	0.5
251.16437	0.8
253.09332	1.8
261.18530	0.4
263.07706	0.8
271.17041	1.2
273.14926	0.7
287.07727	0.7
287.16611	2.1
289.18088	100.0
290.18414	9.1
305.08789	1.2
307.19141	10.6
308.19321	0.9
323.09766	0.8
353.10321	0.7
379.12506	0.6
381.09741	0.9
397.13480	34.9
398.13892	3.0
415.14557	24.1
416.14603	2.1
438.40994	0.4
463.21207	0.4
479.16101	0.4
523.84326	0.4
534.02588	0.4
645.35297	0.7
680.45715	0.4
687.32324	3.8
688.32440	0.9
705.35669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03429	1.8
59.01380	14.2
61.98817	1.7
69.03430	2.9
71.01391	7.1
71.05012	1.9
71.56277	1.4
73.02949	2.0
85.02968	4.8
87.00869	2.3
89.02458	6.1
93.03432	2.5
95.01371	1.1
95.04987	1.0
96.94563	0.8
96.95384	1.3
96.96000	13.9
97.02942	2.8
97.06596	1.8
99.00872	11.5
101.02446	5.5
109.06580	1.7
111.04527	1.2
113.02421	4.3
116.49495	0.9
123.08115	1.3
125.09718	7.2
127.03939	1.2
135.04521	1.2
137.02496	0.9
137.09830	1.1
145.54875	1.0
151.11249	1.3
153.12788	1.8
161.04543	1.5
161.09688	1.8
163.11264	4.9
171.10274	2.4
173.04507	3.1
179.10762	2.7
181.12337	10.6
191.05588	10.1
197.11815	33.2
198.12044	1.7
199.13400	5.1
207.10268	16.5
207.54137	0.9
208.10573	1.9
209.11787	2.2
225.11302	23.5
226.11641	1.5
241.10762	3.1
243.12337	11.6
255.02850	1.1
269.04477	1.2
285.03967	5.1
287.16415	2.9
305.17584	5.6
317.08371	1.1
373.80014	1.0
397.13647	2.3
415.14508	1.3
461.07248	2.3
479.21500	1.3
513.27393	1.7
527.19031	2.5
573.28815	1.5
617.31671	1.5
656.26422	1.0
659.34351	2.8
685.30804	3.1
703.31738	100.0
704.32111	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	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98825	4.0
62.87268	1.5
63.59249	1.5
68.30372	1.4
71.45254	2.6
78.95908	2.8
96.40018	1.4
101.71257	2.0
105.03477	1.7
133.02930	10.3
134.03748	4.2
135.04514	9.6
155.03481	1.7
173.04530	3.6
177.01903	5.7
178.02686	4.4
179.03500	14.5
184.15512	1.7
390.30450	1.7
438.13260	2.7
452.14932	2.5
481.15189	34.0
482.15506	6.4
483.31064	3.0
495.16605	11.3
496.17065	2.9
497.18500	6.9
514.15076	3.5
527.29828	3.5
539.15295	3.2
540.16388	9.0
553.18005	1.9
554.18188	3.9
555.18799	60.8
556.18939	15.3
572.15308	18.0
573.15540	3.2
586.16571	8.8
587.17737	2.4
627.20789	2.0
641.22742	32.6
642.22498	9.2
701.24670	99.0
701.34564	3.8
702.24908	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	697.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.00587	0.9
59.01373	1.8
65.00321	1.4
65.35506	0.3
71.01386	0.9
73.02953	0.6
75.00861	0.5
80.02670	0.9
81.03461	1.2
83.01389	0.8
83.05013	3.9
84.02177	1.1
84.66119	0.3
85.02950	0.4
87.00885	0.7
89.02432	0.5
93.03462	0.7
95.00098	0.3
95.05029	0.5
96.96004	1.4
101.02406	0.3
107.01408	2.4
109.02938	0.6
111.08160	0.5
125.02438	0.8
125.06094	0.7
125.09721	3.4
127.11288	4.6
135.04521	9.3
135.08179	0.4
136.04816	0.6
137.09709	1.0
139.11322	0.7
148.87509	0.3
151.00372	14.7
152.00664	0.8
155.10748	2.3
157.12254	0.6
163.11292	2.8
165.09200	2.2
165.12842	1.8
171.10268	2.6
173.04509	0.5
175.00323	0.5
181.12308	0.4
183.10257	1.1
191.05576	1.7
191.10760	0.7
199.09776	1.9
201.11313	100.0
202.11691	4.2
209.11815	69.1
210.12132	4.2
227.12875	31.8
228.13255	2.1
243.12329	0.5
245.13922	55.1
246.14268	3.5
285.03903	0.4
287.05594	9.1
288.05887	0.9
449.10837	9.7
450.10995	1.6
451.32785	3.2
491.11932	1.5
492.11264	0.4
611.28748	0.3
653.16852	0.3
653.30017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.32
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97623	3.7
59.01378	21.1
60.06766	3.6
61.98822	19.7
69.21893	33.0
71.01375	11.7
73.02930	3.6
79.54556	3.5
79.67204	3.2
84.26114	3.5
85.02940	4.9
87.00868	6.4
89.02436	15.7
93.51640	3.4
96.96021	6.3
98.20607	6.4
101.02434	13.4
112.13570	3.3
113.02460	6.2
119.03510	5.7
119.26451	3.0
123.68765	3.9
125.02405	6.1
171.10243	3.6
179.05576	7.3
182.93301	3.6
191.05583	5.4
235.08170	7.2
263.20129	41.3
264.20392	4.3
268.84778	3.5
287.07416	4.0
305.08963	4.3
397.13486	100.0
398.13712	4.0
415.14554	26.9
629.25745	4.0
633.96960	4.2
661.34418	12.6
697.31842	62.1
698.32800	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	697.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03444	12.8
59.01375	7.9
62.49648	0.6
62.65602	0.6
68.99819	1.2
69.20770	0.6
71.01383	4.9
72.99333	1.0
73.02955	0.9
75.00882	1.6
75.21129	0.7
83.01382	3.2
84.02163	2.4
85.02947	100.0
86.03283	1.6
87.00878	1.5
89.02449	1.5
93.03445	1.8
94.61600	0.7
97.07536	0.7
98.19919	1.5
101.02427	1.3
103.00349	1.1
111.00883	4.9
115.00365	1.2
119.05024	2.2
121.02944	5.5
129.01938	7.8
132.16747	0.6
133.01399	1.3
147.03009	12.2
156.74467	0.7
163.03966	2.1
173.00906	2.7
173.04532	5.0
181.05081	3.9
191.01968	52.7
191.05611	2.6
192.02255	2.1
193.03389	0.8
209.03015	42.6
210.03242	0.9
337.05505	1.5
341.10593	0.9
355.06592	34.6
355.10184	2.8
356.07043	3.0
384.45361	0.7
405.97809	0.7
424.74762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.3
59.01379	18.0
61.98816	4.8
63.04162	1.4
66.95622	1.4
69.03461	2.8
69.66357	6.4
69.66780	3.7
71.01373	13.1
73.02953	3.9
75.00838	1.8
78.96922	1.5
79.95708	2.0
83.01373	5.8
85.02935	8.1
87.04504	11.5
89.02454	3.2
93.03469	7.4
95.01365	1.8
96.96006	25.2
97.02931	2.4
98.20708	2.8
99.00887	5.6
99.04510	2.0
101.02430	6.6
108.02175	3.6
111.04548	2.6
113.02440	5.5
115.00391	1.6
119.05024	8.8
123.04512	4.9
125.02437	4.7
131.04947	2.1
133.01416	2.4
134.03725	3.8
135.04501	3.8
135.08124	2.9
137.02440	2.7
137.09740	11.5
139.07642	2.0
139.11375	2.0
146.03728	3.9
147.04498	5.3
148.05276	10.1
149.06053	3.2
153.05547	2.0
155.10779	35.0
156.11090	3.1
159.04489	2.4
160.05238	2.1
161.02411	3.6
161.06052	3.4
162.03156	6.5
162.06851	2.5
163.03990	5.0
163.07625	6.6
169.12289	1.8
173.04507	13.0
173.06032	5.3
175.03970	3.4
176.04742	1.9
177.01929	2.4
177.05574	11.7
178.06165	1.8
179.10777	3.7
181.08652	4.2
181.38582	1.4
185.06187	1.6
187.03989	4.0
188.04778	10.3
189.05489	5.3
190.06287	5.5
190.82161	1.5
191.05565	15.5
191.10768	2.0
195.10153	3.4
199.07903	2.8
199.09727	21.2
202.06456	2.9
203.07060	4.4
204.04182	3.7
205.08658	2.0
207.06557	5.2
213.11360	1.9
215.03406	1.8
216.04239	5.2
217.04861	1.6
217.08640	6.5
219.06587	8.1
231.06482	7.8
233.04568	3.8
241.10800	7.1
249.07596	7.0
251.05634	10.6
255.12305	2.5
258.05286	4.4
273.07687	3.3
283.11777	10.7
287.22327	3.2
291.08981	3.6
293.06555	4.0
309.09744	4.7
343.13672	8.0
344.14563	2.0
353.08621	4.2
362.55972	1.7
449.27472	2.5
491.28546	6.2
517.18719	3.7
523.21924	2.6
593.31525	4.9
595.20099	15.1
611.32922	2.1
653.33942	7.4
665.22321	2.3
697.23425	100.0
697.35773	5.8
698.23730	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	695.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53330	1.8
55.00069	1.8
57.03439	1.9
59.01383	9.5
61.98822	8.0
71.56375	1.9
73.66767	1.8
78.95882	2.2
79.19427	2.0
83.05013	2.6
85.02953	1.8
93.03446	3.0
96.96025	12.1
97.02937	5.0
97.06599	2.4
99.37997	1.7
111.08163	4.2
116.92895	1.7
137.09688	2.1
151.07660	2.2
163.11285	3.5
165.12807	4.3
171.10268	6.5
173.04489	5.2
191.05652	3.9
197.11818	9.2
209.11761	2.4
209.15382	3.2
211.13387	4.4
223.13364	2.4
247.20575	4.3
291.19635	35.4
292.19876	3.0
309.17395	3.3
309.20679	100.0
310.21066	7.5
385.12537	11.1
386.13074	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	695.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53330	1.8
55.00069	1.8
57.03439	1.9
59.01383	9.5
61.98822	8.0
71.56375	1.9
73.66767	1.8
78.95882	2.2
79.19427	2.0
83.05013	2.6
85.02953	1.8
93.03446	3.0
96.96025	12.1
97.02937	5.0
97.06599	2.4
99.37997	1.7
111.08163	4.2
116.92895	1.7
137.09688	2.1
151.07660	2.2
163.11285	3.5
165.12807	4.3
171.10268	6.5
173.04489	5.2
191.05652	3.9
197.11818	9.2
209.11761	2.4
209.15382	3.2
211.13387	4.4
223.13364	2.4
247.20575	4.3
291.19635	35.4
292.19876	3.0
309.17395	3.3
309.20679	100.0
310.21066	7.5
385.12537	11.1
386.13074	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	697.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19624	2.3
69.20051	1.7
71.01373	0.9
81.03478	0.5
83.05022	1.2
85.02950	1.6
87.00919	0.7
93.03451	5.4
103.92486	0.4
105.03459	0.5
111.04509	3.4
117.03496	1.4
119.05020	63.8
120.05348	2.5
121.02966	1.5
123.04543	0.6
127.04018	1.2
134.03738	0.5
135.04520	0.6
136.98524	0.4
145.02931	5.5
155.03514	3.3
163.04002	100.0
164.04346	4.7
173.04535	12.5
185.02185	19.9
186.02492	0.6
191.05606	13.2
337.09253	23.5
338.09515	1.9
359.07449	63.0
360.07822	4.7
697.17383	24.1
698.17804	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	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12057	0.4
59.01377	100.0
60.01709	1.2
61.98834	2.4
68.15786	0.4
69.31747	1.9
69.32172	1.6
78.95904	7.5
98.19960	1.1
98.20615	0.6
99.98914	0.4
101.34799	0.4
103.23351	0.4
114.44661	0.4
117.51028	0.4
128.36824	0.4
205.15883	0.8
271.81876	0.5
289.31512	0.4
657.68671	0.4
695.31134	42.8
696.31445	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	695.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.5
61.98819	1.9
67.01879	1.3
69.03445	1.0
69.42401	6.9
71.01388	6.9
73.02940	2.2
75.00859	1.5
81.03458	1.1
83.01379	8.7
83.05018	2.3
85.02932	4.0
89.02442	1.9
93.03458	5.4
95.04974	0.9
96.96019	8.6
97.02903	1.7
99.00868	6.1
101.02435	2.4
103.61347	0.8
108.02164	2.7
109.06576	2.9
111.00871	1.5
111.04590	1.0
113.02440	2.3
113.16827	0.9
115.35435	0.8
119.05025	10.8
121.02969	1.6
122.03722	3.2
123.00854	1.1
123.04533	6.5
124.01625	0.8
125.02424	2.5
127.00356	1.3
131.05022	2.0
133.02922	1.0
133.10129	0.9
134.03734	5.7
135.04514	4.4
135.08113	1.4
136.05328	1.4
137.02441	1.7
146.03769	3.9
147.04538	11.6
147.08054	0.8
148.05302	19.5
149.06100	6.6
149.09663	1.7
153.05603	4.1
153.09204	11.0
155.03424	0.9
159.03098	1.0
159.04504	2.5
160.05304	6.7
161.02417	3.0
161.06088	6.8
162.03247	7.3
162.06874	5.2
163.03978	3.3
163.07640	12.1
164.04768	1.5
165.05531	2.5
166.81491	0.9
171.04489	0.9
172.05237	2.1
173.04521	7.1
173.06042	5.6
174.03191	3.0
175.04048	4.4
175.07628	2.9
176.04793	4.4
177.01974	1.1
177.05600	10.7
177.09189	3.9
178.06392	1.0
179.03548	1.0
179.07079	2.4
184.05212	1.0
185.06018	1.2
187.04048	4.2
187.07574	2.0
188.04790	12.0
189.05519	6.7
190.02661	2.6
190.06349	7.8
191.03725	1.3
191.05556	7.9
191.07114	1.8
192.04276	1.6
193.08667	2.6
195.06657	0.9
197.08154	2.0
201.05656	1.3
202.06360	4.4
203.03387	1.8
203.07190	6.9
204.04277	6.7
205.05011	4.7
205.08612	4.5
207.06595	10.7
214.06305	2.3
215.03497	2.7
216.04279	10.1
217.05049	1.4
217.08595	9.4
218.02271	1.4
219.02992	0.8
219.06606	15.5
220.06770	1.5
221.08278	7.4
223.06203	1.3
229.05042	1.0
229.08800	1.1
231.06606	12.4
233.04564	4.6
234.05281	1.6
235.06053	5.0
239.09187	3.2
243.10228	3.0
249.07658	10.4
250.08055	1.2
251.05573	7.7
255.10220	1.2
258.05420	2.5
259.05792	0.9
265.07166	1.7
272.34021	1.0
273.07678	4.2
276.06299	1.8
281.10321	1.3
291.08774	5.4
293.06708	10.2
309.09836	5.7
311.16519	61.6
312.16937	5.1
341.12427	4.2
353.08691	10.3
473.21844	25.5
474.22162	3.5
517.51038	1.0
523.35339	1.2
549.19562	2.6
593.18878	10.5
594.19214	1.2
635.27838	1.2
651.22974	1.3
695.21887	100.0
696.22351	16.9
696.34601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64182	0.4
54.62963	0.3
57.03433	1.1
58.00587	0.7
59.01377	15.2
61.98821	1.1
67.01891	0.4
69.03427	1.0
71.01379	13.5
71.55793	0.4
72.99304	1.0
73.02940	2.1
79.95737	0.5
81.03448	1.7
82.35033	0.3
83.01379	1.1
83.05012	1.6
85.02938	3.5
85.57996	0.4
87.00887	2.6
89.02442	10.1
90.72700	0.4
93.03452	6.3
94.03824	0.4
95.01388	1.0
95.05020	0.9
96.96010	11.9
97.02931	2.0
97.06580	0.4
98.18842	0.4
99.00880	0.7
99.08175	0.5
101.02427	7.3
105.03442	1.3
109.02948	0.5
109.06595	3.7
110.85527	0.4
111.00871	0.4
111.04493	2.4
112.10942	0.4
113.02456	4.4
113.09724	1.2
116.92849	0.6
117.03457	0.5
119.03510	2.8
121.02949	1.2
125.02457	3.1
127.03969	0.4
131.03503	0.3
133.02957	10.3
134.03746	9.7
135.04539	4.9
136.04898	0.4
137.02435	5.0
139.04004	1.5
143.03447	1.4
143.22244	0.4
145.66164	0.3
149.02477	0.5
149.04578	0.4
149.16273	0.3
150.03233	1.0
152.31966	0.4
155.03499	1.9
161.02428	0.6
161.04523	1.9
162.03229	1.8
163.11266	1.4
171.10249	1.3
173.04547	13.4
174.04831	0.5
177.01917	6.7
178.02705	18.6
179.03447	4.1
179.05550	2.0
179.14391	0.8
181.12325	0.7
188.93858	0.3
191.05603	5.7
192.25874	0.4
195.13884	12.8
196.14207	0.4
199.09717	1.2
203.10756	0.6
207.10251	4.1
211.13426	1.3
213.09305	0.4
221.06665	0.6
225.11322	2.4
231.10309	2.6
235.08229	2.7
243.12428	0.5
247.09766	1.4
251.23735	0.6
253.09271	1.0
257.08188	0.4
275.09250	20.0
276.09534	1.7
277.21683	11.3
278.22064	1.1
285.07654	0.4
287.07611	0.9
291.08591	0.4
295.22757	100.0
296.23117	9.3
301.42062	0.4
302.42877	0.4
305.08691	0.6
308.08948	0.4
323.09775	0.6
329.73294	0.4
351.07581	0.8
397.13495	22.1
398.13849	1.9
415.14557	23.4
416.14996	2.1
449.14529	8.8
450.14661	1.2
465.13828	0.5
563.21161	0.6
693.27332	4.0
693.36725	0.4
694.27716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
58.00592	1.7
59.01376	4.2
61.98829	5.0
67.01875	1.7
69.03447	1.8
69.52335	3.7
69.52748	3.1
71.01373	2.2
78.95911	2.7
81.03457	1.4
85.02968	1.5
87.00860	1.1
93.03451	5.1
96.96001	2.6
97.02975	2.0
98.19922	2.3
109.06606	2.7
111.04484	1.1
111.08163	18.4
124.05498	1.2
127.07720	1.1
133.02979	1.4
155.79240	1.1
163.11206	1.4
169.12306	5.4
173.04544	9.6
177.01910	1.7
181.12338	1.6
183.13983	1.5
191.05614	6.6
197.11826	64.7
198.12155	2.8
199.13461	2.7
207.10393	2.0
210.70714	1.3
211.13364	7.5
225.11299	1.5
247.09665	3.1
263.20200	2.7
291.19629	16.7
293.21237	10.9
294.21451	1.9
309.20703	100.0
310.21109	10.5
499.21823	1.7
517.24341	1.7
673.28125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66168	0.2
59.01382	1.8
62.98333	0.2
70.29639	0.9
71.01365	0.6
78.37569	0.2
78.95895	0.4
81.18770	0.2
85.02957	0.9
93.03458	0.9
96.96019	1.8
101.02441	0.6
109.02958	0.2
111.04502	0.4
113.02436	0.2
117.03442	0.5
119.05024	88.7
120.05357	4.1
133.02965	1.2
134.03740	4.4
135.04523	1.1
144.42906	0.2
149.06099	0.3
155.03520	0.3
163.04002	100.0
164.04352	4.3
173.04562	1.4
177.01930	0.6
179.03499	0.6
191.05585	3.1
193.05032	5.0
194.05458	0.3
205.05075	0.3
235.11853	0.4
294.92096	0.3
316.05594	0.3
324.11102	0.2
325.09241	16.4
326.09637	1.6
351.07111	0.5
353.08652	0.4
367.10263	2.0
367.15921	1.3
606.51373	0.2
621.24463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17502	0.2
51.62093	0.2
59.01382	0.5
70.29646	0.9
73.55994	0.3
85.02943	0.2
87.00874	0.2
93.03431	1.1
96.96017	1.1
101.07719	0.2
117.03492	0.5
119.05019	90.2
120.05362	3.7
122.91595	0.2
133.02957	0.8
134.03726	0.6
135.04506	1.2
159.57349	0.2
163.03998	100.0
164.04338	4.4
173.04543	1.2
177.01950	0.6
179.03467	0.7
184.94225	0.2
191.05615	2.0
193.04945	0.4
241.08739	0.3
268.17838	0.2
297.13632	0.2
325.09256	17.4
326.09625	1.8
351.07172	0.5
448.04367	0.2
716.43829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.37
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24666	0.7
57.03448	1.5
58.65457	0.7
59.01106	1.0
59.01380	15.2
61.98809	1.8
65.25968	0.7
67.01896	1.2
67.97558	0.7
69.03452	1.1
70.18249	0.7
71.01379	15.6
71.56226	1.1
72.99300	1.2
73.02937	2.5
78.95903	2.6
81.03452	1.4
83.01360	1.2
83.05004	1.9
85.02953	3.4
87.00876	3.5
89.01929	1.1
89.02446	12.0
93.03444	10.9
95.01385	1.2
96.96013	21.5
97.02943	1.9
101.02438	9.3
109.02883	0.8
109.06589	3.9
111.04522	3.4
111.18346	0.7
113.02452	5.2
113.09689	1.2
119.03521	2.0
121.02933	1.4
125.02471	3.6
131.03499	0.9
133.02930	7.6
134.03751	12.5
135.04535	6.4
137.02419	5.5
139.03993	1.7
143.03473	1.7
145.02834	0.9
145.35756	0.7
152.99579	1.8
155.03482	4.2
160.01662	1.0
161.02393	1.0
161.04573	2.0
162.03204	4.2
163.11252	1.6
169.53690	0.9
171.10243	6.1
173.04544	28.2
173.06049	1.5
177.01920	3.9
178.02719	13.3
179.03505	5.2
179.05591	2.9
179.14342	1.1
191.05594	11.1
192.05876	0.9
195.13887	11.6
196.14285	0.7
199.09741	2.6
207.10255	6.7
208.10437	1.0
211.13356	1.9
221.06560	1.1
225.11337	3.1
231.10075	1.2
235.08255	3.7
247.09624	1.0
253.09286	1.9
275.06369	1.1
275.09198	17.5
276.09598	0.9
277.21704	12.9
293.21207	2.7
294.21542	1.5
295.22769	100.0
296.23083	8.9
305.08817	0.8
306.13531	0.8
351.07303	1.0
352.07867	1.2
395.90417	0.8
397.13425	26.4
398.13754	1.6
414.19104	0.8
415.14554	23.9
416.15009	2.2
449.14499	10.2
450.14978	1.5
611.28107	3.6
612.29340	0.9
691.09515	0.9
693.27783	3.1
693.38013	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	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18836	1.6
70.80763	3.2
70.81145	3.0
78.95901	67.1
96.96958	7.1
98.20130	2.4
99.92789	1.6
110.14048	1.7
111.08130	3.4
122.97561	2.1
144.59146	2.0
150.97980	2.0
152.99577	96.2
165.12845	34.1
171.00656	8.7
176.06171	1.6
183.13881	90.8
184.14238	4.6
199.13350	3.3
207.10190	1.9
209.11780	10.7
225.11360	1.8
227.03247	5.8
227.12866	27.3
234.54146	1.7
245.04349	2.3
253.21782	2.7
363.12088	7.2
437.15799	23.0
455.16852	68.9
456.17114	6.7
569.57922	2.4
618.63654	2.0
691.38196	100.0
692.38586	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	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06351	0.8
57.03445	1.6
59.01369	1.5
61.98815	3.8
68.71838	0.8
69.03445	1.2
71.00328	1.0
71.00702	2.1
78.95902	65.3
89.50843	0.9
96.96959	6.1
102.49030	0.9
106.60264	1.0
111.08167	2.1
152.99580	100.0
153.99884	1.9
158.14705	0.9
163.11250	1.0
165.12839	31.7
166.13112	1.3
171.00661	10.0
181.12282	1.4
183.13890	89.6
184.14273	5.7
195.21327	0.9
209.11850	6.0
218.67331	0.8
225.11295	1.2
227.03270	5.1
227.12880	28.4
228.13272	1.4
245.04282	1.4
253.21555	1.7
255.23331	2.6
345.11047	1.9
363.07806	0.9
363.12106	5.3
393.83652	0.9
401.30792	1.3
410.31781	1.0
437.15778	20.5
438.16171	2.1
455.16855	61.3
456.17133	5.3
606.32819	1.0
673.36975	1.5
691.38220	95.5
692.38562	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00579	0.4
59.01381	16.6
60.01717	0.3
61.62261	0.3
61.98836	0.4
69.03455	0.5
70.24166	0.3
71.01383	15.5
72.99284	0.8
73.02946	2.2
75.00857	0.4
81.03463	0.4
83.01389	0.8
83.04997	0.4
85.02954	2.7
87.00874	3.1
89.02448	12.8
95.01381	1.2
96.96004	0.4
97.02937	1.7
98.19941	0.9
99.00867	0.8
101.02442	9.6
111.04527	0.6
111.08153	0.3
113.02456	4.8
113.09697	0.4
115.03993	0.4
119.03485	3.5
121.02943	0.4
121.10242	0.4
125.02456	3.5
125.09728	0.3
131.03467	0.6
133.04962	0.3
139.04001	0.5
143.03458	1.9
161.04556	2.3
171.10278	1.7
173.04536	1.1
179.05588	3.0
179.14377	1.1
191.05678	0.8
195.13901	7.9
196.14485	1.0
205.12291	0.6
205.16080	0.5
207.10175	1.0
215.07094	0.4
221.06648	1.2
223.13385	4.8
224.14021	0.3
225.11299	0.5
225.14796	0.4
235.08189	3.3
253.09325	1.4
256.13156	1.0
265.21634	0.4
275.20139	5.4
276.20422	0.5
277.09232	0.4
287.07693	0.5
291.19659	0.8
293.21225	100.0
294.21567	9.0
305.08737	1.0
323.09662	0.6
397.13489	25.5
398.13913	2.3
415.14554	26.4
416.14960	2.9
654.27734	0.4
691.34937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41950	0.2
50.59916	0.3
54.36597	0.3
55.01867	0.6
57.03436	0.5
58.00595	0.6
59.01378	19.1
60.01702	0.4
69.03439	0.7
71.01379	12.1
72.38309	0.3
72.99297	0.8
73.02942	1.9
73.13924	0.2
81.03447	0.6
83.01399	1.4
85.02957	2.5
87.00874	2.4
89.02443	10.4
95.01372	0.7
97.02973	1.8
98.20773	0.6
99.00897	0.6
100.35862	0.2
101.01791	0.6
101.02440	9.6
111.00890	0.3
113.02455	4.5
119.03495	3.0
125.02435	2.8
131.03540	0.5
141.50328	0.3
143.03514	1.9
149.04477	0.3
161.04576	2.1
167.10847	0.3
179.05608	3.0
179.14354	1.0
195.13892	8.0
196.14558	1.0
202.87845	0.3
205.12315	0.6
205.15958	0.3
211.13358	0.4
221.06639	1.0
223.13383	4.9
224.13795	0.6
228.13741	0.3
231.21233	0.4
235.08266	3.6
249.22150	0.3
253.09294	1.4
256.13171	0.5
263.07623	0.4
275.20157	3.8
276.20438	0.6
287.07721	0.6
293.21210	100.0
294.18164	0.5
294.21533	9.0
305.08704	0.5
307.07031	0.3
323.09756	0.3
379.12335	0.3
397.13483	22.8
398.13452	1.9
415.14548	25.6
416.14737	2.3
654.27319	0.7
691.35461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47025	0.4
55.01868	1.1
57.03436	0.8
58.00583	1.5
59.01377	34.1
61.98817	1.2
63.52391	0.4
69.03440	1.6
70.81334	0.5
70.81660	0.5
71.01378	26.5
71.05011	1.5
72.01717	0.4
72.99301	2.2
73.02949	4.2
75.00829	0.7
81.03455	1.5
83.01385	2.6
83.05018	0.7
85.02944	5.7
86.03242	0.5
87.00871	5.2
89.02440	24.1
90.02770	0.6
91.03993	0.5
93.03443	1.3
95.01392	1.8
96.96015	2.1
97.02950	3.7
99.00870	1.9
99.04470	0.4
101.02435	20.9
111.00867	0.5
111.04516	0.7
113.01843	0.4
113.02443	10.8
119.03485	6.3
121.02884	0.5
125.02438	8.7
131.03473	0.9
133.05051	0.7
139.04070	0.9
143.03485	4.3
149.04535	0.8
161.04555	5.5
167.03525	0.6
173.04547	1.7
177.16484	0.7
179.05612	5.5
183.13943	0.4
185.04524	0.4
191.05588	1.2
191.18011	0.9
195.13815	0.6
209.11771	0.7
209.15428	1.9
211.13332	0.6
214.94203	0.4
217.07048	0.5
217.15948	0.4
221.06683	1.7
221.15402	0.6
231.21216	2.4
235.06046	0.7
235.08217	8.3
235.17007	35.3
236.17375	2.4
253.09256	2.9
263.07660	1.2
275.20123	48.1
276.20389	4.0
277.09311	0.7
287.07669	2.5
293.21207	100.0
294.21524	10.4
305.08826	3.0
323.09769	1.3
361.11459	0.6
397.13467	70.9
398.13831	5.6
415.14529	42.3
416.14658	3.0
483.25137	0.4
673.34412	0.8
691.35730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86996	0.2
57.80249	0.3
59.01376	2.2
63.87492	0.3
64.86797	0.2
67.01908	0.2
69.29846	2.2
76.35096	0.2
83.05024	0.7
85.02959	0.3
90.67547	0.2
94.02997	2.0
95.05052	0.3
96.96020	1.6
98.02422	0.3
105.10541	0.2
108.04559	2.1
110.06114	0.3
120.04509	0.6
121.05329	0.4
122.06128	8.5
124.04066	1.3
132.04544	0.5
133.04121	0.4
134.06117	1.6
135.06966	0.5
136.04047	3.9
136.07678	10.5
137.04813	0.3
137.08105	0.3
138.05602	1.6
148.04024	0.3
148.07689	0.3
150.05608	8.4
152.07184	2.4
158.06046	0.3
159.05608	0.3
159.11780	0.4
162.05576	0.4
163.08708	0.5
164.07159	0.3
165.27730	0.3
173.04568	0.5
174.05589	0.3
174.09286	0.7
175.05145	0.5
176.03517	0.7
177.01778	0.2
184.07794	0.3
186.04318	0.3
186.09209	2.8
187.09872	0.3
187.11363	0.5
188.07019	0.3
188.10776	0.4
190.05109	0.8
191.05681	1.4
200.05795	0.2
200.10896	0.3
201.06569	2.5
201.08246	0.3
202.07178	1.6
202.09042	0.5
202.12335	2.0
203.07957	0.4
212.10831	1.7
213.06644	0.8
214.07175	1.2
215.08171	2.0
216.09003	0.7
218.08041	0.2
227.08295	0.3
228.10300	3.3
229.09795	13.4
230.12001	8.9
231.11693	0.8
239.08261	0.5
240.09029	0.9
240.52539	0.3
241.09862	0.3
243.07861	0.3
243.11418	0.3
244.08452	0.8
245.09322	4.8
245.12959	0.9
255.11377	4.2
257.09296	6.5
258.09921	1.4
259.10797	0.3
273.12442	20.0
274.10422	0.4
274.12790	0.9
275.10324	1.7
290.12723	0.5
291.13370	0.4
299.10443	0.4
317.11420	14.7
318.11774	1.0
334.11627	1.0
335.12473	100.0
336.12823	6.9
355.12946	1.6
356.13181	0.3
367.11600	0.3
459.39041	0.3
599.21503	0.7
619.23700	0.4
631.24182	0.9
691.26190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45666	0.8
51.55409	0.8
57.03441	2.5
58.00602	0.9
59.01377	40.1
69.03466	1.9
70.78613	2.5
71.01381	23.6
71.05010	1.3
72.99321	1.0
73.02946	11.9
75.00879	2.3
80.45105	0.8
83.01395	4.2
83.05019	1.1
85.02954	16.9
87.00867	2.5
89.02444	7.1
91.23729	0.7
93.03452	2.4
95.01383	3.0
96.96006	5.8
97.02934	1.6
97.06592	10.6
99.00882	7.7
101.02444	23.9
109.70444	0.9
113.02450	31.3
114.02767	1.4
118.54024	0.8
119.03487	4.2
123.08237	1.0
125.02455	1.2
125.09729	1.9
131.03482	3.3
135.04527	1.0
143.03477	2.0
149.04495	2.2
161.04561	6.0
163.11267	3.1
165.12796	3.0
171.10257	2.2
173.04564	4.1
175.02498	4.1
181.12347	4.8
183.13902	9.9
191.05586	5.5
197.11803	1.7
199.13382	3.8
201.11427	0.9
206.87953	0.8
207.10249	10.3
208.10512	0.9
209.11818	6.5
221.06635	1.5
225.11302	13.3
227.12830	1.5
235.08138	1.5
243.12300	7.8
253.09256	1.1
255.02957	2.4
256.03738	5.6
283.02435	4.0
284.03220	20.8
285.03683	2.8
291.19611	5.8
292.19946	1.1
309.14969	1.7
379.10562	1.1
397.13351	2.1
415.14691	1.9
439.32227	2.8
467.31723	21.7
468.32230	2.1
479.21304	1.5
481.33594	1.1
485.32715	100.0
486.33093	15.4
495.16672	7.7
496.17151	1.5
527.33630	3.8
671.20215	4.2
671.32941	3.3
672.20270	0.9
689.38007	38.2
690.38184	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	691.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
67.01878	0.9
70.82637	1.3
70.82965	0.9
71.01367	2.0
71.04929	0.9
83.05011	1.0
85.02940	7.8
86.31303	0.8
87.00857	2.5
93.03452	10.9
95.11988	0.9
96.96008	6.4
106.28606	0.8
107.05001	1.1
108.54665	0.8
109.02956	2.0
111.04473	4.1
119.05021	41.3
120.05340	2.3
121.02994	1.6
123.04524	1.8
127.03972	2.0
130.51167	0.8
133.02954	4.9
134.03323	1.4
135.04521	19.3
136.04854	1.0
137.02522	0.9
147.04553	1.1
149.06033	2.7
155.03462	3.0
161.02402	1.7
163.03999	71.4
164.04300	3.6
173.04535	20.5
173.06027	1.4
174.04739	0.8
177.01871	1.3
179.03508	20.5
191.05598	100.0
192.05989	4.1
192.83588	1.0
203.03477	1.0
203.67545	0.8
222.81183	1.0
237.09157	1.7
253.08464	1.6
254.09097	1.1
255.10097	2.8
281.08029	1.4
294.31946	0.8
299.09268	1.6
337.09250	51.0
338.09634	4.7
343.08218	2.5
353.04504	1.6
353.08740	26.1
354.08984	1.4
406.38983	0.8
447.73975	0.9
481.11514	1.0
499.12030	1.8
517.13239	6.7
691.18372	7.8
692.19366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10632	0.2
55.01867	0.6
57.03453	1.6
58.00575	0.8
58.19884	0.2
59.01382	22.8
60.01688	0.3
61.98809	0.7
67.01875	0.3
68.99814	0.2
69.03461	1.1
69.49291	0.2
71.01384	18.3
72.01716	0.4
72.99304	1.6
73.02945	2.8
75.00868	0.5
76.93465	0.2
77.24655	0.2
80.96525	0.3
81.03452	1.0
83.01395	2.3
83.05015	0.8
85.02950	3.9
87.00402	0.3
87.00880	3.8
87.04469	0.2
89.02446	15.1
91.04025	0.3
93.03455	0.8
95.01418	1.1
95.05029	1.0
96.95995	0.6
97.02958	2.8
97.06602	0.4
99.00872	1.3
101.02445	14.3
107.81547	0.2
109.02934	0.3
109.06556	0.7
111.00862	0.3
111.04508	0.8
111.08163	9.6
113.02457	7.3
113.09707	0.6
115.03970	0.3
119.03508	4.5
121.02964	0.3
123.00902	0.2
124.01630	0.4
125.02459	4.7
127.03973	0.3
131.03461	0.6
133.02914	0.3
133.05052	0.3
135.04532	0.3
135.11807	0.4
137.02484	0.3
137.09715	0.9
139.04015	0.3
139.11287	0.5
141.01775	1.2
141.09183	0.3
143.03505	2.4
149.04555	0.6
149.09705	0.5
149.57808	0.2
151.11319	0.2
155.10793	0.3
161.04573	3.4
163.11359	0.3
167.10802	1.8
169.12350	0.4
173.04610	1.0
177.12849	1.8
178.99965	0.3
179.05623	3.3
179.10796	2.1
185.04559	0.4
191.05641	0.9
193.15880	0.3
195.13904	5.9
196.14195	0.3
199.06113	0.2
200.01007	0.3
203.14372	0.4
207.10208	0.4
209.11763	0.9
217.07135	0.3
219.17419	0.3
221.06677	1.0
225.11282	0.4
227.12837	0.4
235.08234	4.7
247.20703	2.1
248.20715	0.3
253.09196	1.5
263.07639	0.7
269.04538	0.7
273.18613	1.5
277.09302	0.4
279.90964	0.3
284.85742	0.2
287.07736	0.9
291.19653	100.0
292.19974	9.0
297.04062	0.3
298.04718	0.8
305.08862	1.4
313.03528	0.3
323.09912	0.7
333.20413	0.3
361.11374	0.3
374.06036	0.5
379.12509	0.5
397.13498	41.8
398.13873	2.8
405.55206	0.2
415.14572	23.3
416.14853	1.6
445.07562	0.4
446.08548	0.5
607.24335	0.8
671.22931	0.4
689.33893	6.0
690.33972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30494	0.3
55.01866	0.7
55.76408	0.3
56.40738	0.3
57.03436	1.3
58.00584	0.9
58.12533	0.3
59.01376	24.9
61.98816	0.7
63.80890	0.3
67.01859	0.5
69.03447	1.4
70.77723	0.9
71.01377	18.0
72.01688	0.3
72.99293	1.1
73.02953	2.6
75.00872	0.4
80.96516	0.5
83.01393	2.0
83.05016	0.8
85.02959	4.4
87.00872	3.3
89.02438	16.4
93.03432	1.0
93.95184	0.3
95.01384	1.3
95.05009	0.8
96.95985	0.6
97.02959	2.5
97.06528	0.3
99.00884	1.0
99.04508	0.3
101.02436	13.5
103.03982	0.3
107.59807	0.3
109.02951	0.4
109.06576	0.5
111.04502	0.4
111.08157	9.6
112.08420	0.4
112.45699	0.3
113.02437	6.6
113.09712	0.7
115.04055	0.3
119.03493	4.1
123.08179	0.3
125.02441	4.8
131.03496	0.9
133.05092	0.4
137.09697	0.7
141.01868	0.5
143.03503	2.4
149.04486	0.7
149.09686	0.5
158.02167	0.3
161.04536	3.2
166.87831	0.3
167.10765	1.8
173.04514	0.5
177.12862	1.6
179.05582	3.2
179.10776	1.9
181.05168	0.3
186.07271	0.3
191.05565	0.6
195.12297	0.5
195.13904	5.8
196.14220	0.3
202.94815	0.4
203.05736	0.4
203.14412	0.7
209.11839	0.5
211.13518	0.3
217.07018	0.4
221.06674	0.9
235.08211	4.7
245.06483	0.4
247.20625	2.3
253.09224	1.6
263.07703	0.8
273.18604	1.3
287.07663	0.9
291.19635	100.0
292.19974	9.9
297.04147	0.4
298.04547	0.6
305.08615	2.0
313.03458	0.4
323.09769	0.8
379.12180	0.5
397.13467	44.6
398.13739	3.7
415.14539	25.7
416.14716	2.0
446.08298	0.7
474.95490	0.3
542.49390	0.4
551.19000	0.3
607.24628	0.7
687.85944	0.3
689.33826	7.7
690.34216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23512	0.3
51.73077	0.3
52.06415	0.3
55.01883	0.6
57.03445	1.8
58.00583	1.4
59.01382	21.1
59.38419	0.3
61.98813	1.3
69.03447	0.9
71.01385	17.8
71.55930	0.4
72.99300	1.6
73.02959	2.2
75.00859	0.5
81.03455	0.7
83.01385	1.7
83.05038	0.7
85.02951	3.5
87.00889	3.8
89.02452	14.4
93.03444	0.6
95.01400	1.1
95.05017	0.8
96.95999	1.2
97.02949	2.6
97.06577	1.0
99.00872	1.1
101.01797	0.8
101.02447	13.6
111.04530	0.9
111.08163	5.6
112.98534	0.4
113.01714	0.6
113.02451	7.1
119.03512	4.0
119.04990	0.4
119.08532	0.3
121.02892	0.4
121.10210	3.4
123.08139	0.3
125.02446	5.1
125.09706	2.3
131.03476	1.0
133.05042	0.5
135.04523	0.4
137.09660	0.6
139.04012	0.7
141.01787	1.0
143.03479	2.4
149.04497	0.6
149.09656	0.4
161.04572	3.5
167.10768	1.0
171.10281	0.8
173.04536	1.2
177.12831	1.0
179.05605	2.8
179.10753	1.1
185.04553	0.4
185.11841	5.5
191.05588	0.6
195.13916	2.9
197.11824	1.1
209.11852	2.0
211.13379	1.1
217.07269	0.4
221.06630	1.2
223.13412	0.5
225.11340	0.4
235.08221	4.9
247.20715	1.3
253.09300	1.8
263.07718	0.5
273.18680	1.6
287.07797	1.2
291.19666	100.0
292.19974	9.6
305.08722	1.4
323.09799	0.7
377.36026	0.4
379.12677	0.5
397.13513	45.8
398.13837	4.0
415.14548	24.2
416.15042	1.6
689.23297	0.3
689.33862	7.9
690.34393	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
58.00610	0.5
58.78550	0.6
59.01378	7.6
61.98811	1.2
63.02383	1.9
65.00323	8.4
67.01885	0.8
69.61102	4.0
69.61427	1.0
71.01384	5.5
72.99328	0.6
73.02968	1.1
75.00860	1.4
81.03439	1.4
83.01385	5.9
83.05029	0.8
85.02950	7.1
87.00879	2.9
89.02446	2.2
93.03453	2.7
94.87141	0.7
95.01389	2.2
96.96017	10.0
97.02931	0.8
98.19987	1.3
99.00869	2.1
101.02439	1.4
103.00382	1.2
107.01382	11.7
109.02881	0.7
113.02451	8.5
115.00348	0.7
117.46960	0.7
119.03424	0.8
123.04516	3.1
124.01639	1.2
125.02447	22.5
133.02946	0.9
135.04504	1.0
137.02402	1.3
149.02408	1.2
151.00363	34.6
152.00731	1.2
155.03447	0.8
159.04506	2.2
161.04556	0.9
161.05986	0.7
163.11263	1.0
165.01921	1.8
167.03490	8.4
171.10202	2.1
172.05344	1.0
173.04514	6.5
173.05916	1.1
174.06845	1.6
175.02487	2.6
175.03911	1.0
179.03455	1.1
184.05289	1.0
185.06076	0.7
186.06882	1.5
188.04829	0.8
191.05627	9.9
192.05907	1.1
193.01369	1.7
200.04779	1.3
201.11310	1.6
202.06319	2.5
207.10147	1.2
209.11838	5.4
212.04745	0.8
224.04713	1.4
225.11348	1.9
227.12930	2.1
238.06276	1.1
240.04268	2.9
253.09474	1.0
266.05716	1.2
284.03162	2.7
285.03870	1.2
296.03381	1.0
297.04010	1.0
297.14850	0.8
298.04831	1.9
307.13367	2.8
309.04016	2.9
315.16058	2.4
325.14429	5.9
334.04779	1.3
343.15613	4.0
351.12329	1.6
365.13925	0.8
367.15475	4.7
369.13354	8.9
370.13727	1.0
391.15524	3.9
409.16776	1.1
451.13861	1.8
477.15555	6.5
478.15366	1.3
495.16589	100.0
496.16989	14.1
537.17560	3.5
543.28162	1.0
567.18628	1.1
569.20313	6.1
570.20801	1.3
595.80713	0.7
599.21161	1.9
645.33289	1.3
646.97424	0.7
653.20563	1.0
671.19794	45.5
672.20093	7.7
688.39386	1.1
689.24384	6.1
689.34540	1.8
690.23737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.6
59.67461	6.3
61.98829	44.7
71.01392	13.9
71.55334	9.2
89.02449	12.5
101.02415	11.1
125.02389	8.6
159.17026	7.4
204.09465	6.3
253.21764	46.8
304.50674	8.5
397.13388	100.0
415.14578	30.8
468.75729	7.8
651.36102	15.0
687.33582	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45660	1.2
55.70129	1.3
59.01385	2.9
59.79303	1.3
70.67435	3.8
71.01382	2.3
77.03951	1.9
83.05029	2.5
83.68421	1.3
85.02947	11.7
87.00896	2.9
93.03452	29.5
95.05017	6.7
96.96017	2.0
105.03455	10.7
109.02949	3.4
109.92487	1.3
111.04488	6.2
119.05021	17.8
121.02950	2.1
123.04517	16.8
127.04040	1.3
133.02948	100.0
134.03317	3.8
135.04510	3.5
145.02943	3.1
146.03726	4.2
147.04515	5.4
151.03990	1.7
155.03516	6.0
159.04494	12.9
163.02736	2.5
163.03995	29.4
168.46938	1.3
173.04538	34.9
175.03995	3.4
177.01907	46.4
178.02226	2.2
191.05602	66.3
192.05980	2.3
203.03372	1.4
223.07675	1.7
225.09183	1.3
233.05986	1.5
235.07542	3.6
238.06363	10.3
250.06287	1.9
251.07130	15.1
252.07745	3.9
253.08685	61.8
254.08990	5.6
261.05496	2.4
267.06421	1.7
277.04968	1.7
279.06573	16.0
291.61023	1.4
297.07684	22.0
305.04648	4.0
323.05484	16.0
324.05719	1.6
337.09229	22.4
338.09515	1.8
351.07181	15.9
471.12839	9.9
497.10980	10.9
498.10956	2.1
515.11902	26.4
516.12469	2.2
543.09399	1.2
689.17010	22.7
690.17877	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	685.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72746	1.5
55.01863	1.8
59.01112	2.0
59.01379	31.6
61.98817	4.0
69.03416	1.6
71.01376	20.3
71.47411	3.2
73.02943	4.6
78.95895	1.7
83.01393	2.8
85.02951	6.6
87.00836	4.1
88.71176	1.4
89.02435	19.2
95.01387	2.8
97.02937	3.5
97.89396	1.8
101.02431	21.3
113.02435	8.9
119.03491	5.7
125.02435	7.2
131.03497	2.3
143.03438	3.8
143.72726	1.5
149.04517	1.6
161.04532	5.2
170.53795	1.8
179.05588	4.8
227.20143	71.1
228.20503	4.5
235.08174	9.5
253.09264	2.6
261.47327	1.5
287.07697	2.6
305.08789	3.5
320.87997	1.7
372.01956	1.6
397.13461	100.0
398.13757	6.5
415.14581	32.8
500.39825	1.7
625.34973	7.4
693.05420	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	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01376	4.7
61.98828	29.1
62.56877	0.4
62.98531	0.5
63.99249	0.5
71.01373	2.6
77.91608	0.5
81.83978	0.5
85.02959	2.8
87.00871	2.3
89.02442	2.0
93.03456	1.5
96.96008	6.3
97.32628	0.5
98.95552	1.0
101.02448	1.1
105.23935	0.5
111.08231	0.5
113.02436	1.5
121.02931	0.7
123.08175	1.0
125.02393	0.5
127.11228	0.6
129.11763	0.4
135.04546	0.5
136.05287	0.7
137.02441	0.8
137.09668	0.5
149.06017	0.9
150.06848	18.0
151.07684	0.7
155.10739	0.8
157.08739	0.6
162.06831	0.7
163.07648	7.9
164.08392	2.5
171.10204	0.6
173.04509	2.6
176.08389	0.8
177.09245	1.0
178.09898	0.6
179.03372	0.5
179.05600	0.6
179.10759	11.5
180.11099	0.5
191.05620	5.3
201.11337	1.1
209.11757	0.7
223.59789	0.4
224.97675	0.5
257.13895	0.8
285.04001	0.7
299.18610	0.5
306.18344	0.7
316.80844	0.5
320.19833	0.7
321.20334	0.7
322.07739	0.5
341.23090	2.2
343.21225	4.0
447.24814	0.6
459.31067	0.7
462.29819	1.1
476.31277	1.8
477.32214	4.9
504.31119	3.5
505.31476	1.4
522.32062	7.6
523.32715	19.9
524.33136	3.3
685.37988	100.0
686.26257	1.0
686.38342	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	685.274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
59.01378	1.2
61.98816	1.6
68.98479	0.2
71.01382	0.7
71.03430	0.2
71.56771	0.3
74.19026	0.2
74.77700	0.2
79.95736	3.1
85.02933	0.6
87.00889	0.3
88.98811	0.4
89.02452	0.3
96.96007	100.0
97.95951	0.3
99.00872	0.2
113.02428	0.6
114.93422	0.2
119.05072	0.2
135.04579	0.2
139.38249	0.2
171.10272	0.4
173.04544	0.3
191.05623	0.8
197.11868	0.3
209.11887	0.3
225.11215	0.2
227.12875	0.2
283.02420	0.2
298.04736	0.2
483.29544	0.5
509.18298	0.8
510.17429	0.2
581.26996	0.2
641.35291	0.6
649.16608	0.3
685.30927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60224	0.9
58.00571	1.4
59.01380	15.9
61.98830	5.6
68.46467	1.0
69.03458	1.4
69.50497	5.7
71.01376	13.8
72.99296	1.4
73.02948	2.7
75.00858	1.6
79.95716	1.7
80.02679	1.1
81.03445	1.9
83.01385	1.7
83.05018	6.7
85.02950	4.1
87.00874	4.8
89.02445	11.6
89.23235	1.1
95.01396	1.2
96.96011	1.6
97.02965	2.0
101.02434	11.8
113.02473	6.1
115.00432	1.5
119.03493	4.4
125.02442	2.8
143.03470	1.7
161.04538	3.0
163.11261	3.6
165.12836	2.6
171.10167	1.6
173.04526	1.5
175.68462	1.2
179.03320	1.2
179.05605	2.5
191.05617	6.3
191.10818	1.4
199.13200	1.3
209.11812	100.0
210.12169	4.2
213.11293	1.9
217.50987	1.0
221.06496	1.1
227.12852	21.4
231.12347	2.1
232.12859	1.2
235.08202	4.4
249.25871	1.2
253.09302	2.6
287.07745	1.4
287.18463	1.2
305.08673	3.1
349.05688	1.4
397.13483	48.5
398.13611	4.0
415.14502	22.4
416.15063	1.4
511.19125	1.3
581.45441	1.2
607.25989	2.4
679.68756	1.1
685.20142	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	685.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69225	0.6
57.03474	1.5
57.95012	0.6
58.00603	0.5
59.01380	4.0
61.98843	0.9
63.02422	2.3
65.00326	9.8
65.00622	0.7
66.00687	0.5
69.87439	0.5
71.01380	4.0
71.56626	0.6
72.99323	1.3
73.02949	0.6
75.00894	1.1
79.95760	1.1
81.03467	0.6
83.01382	4.1
85.02941	4.9
87.00932	1.3
88.98809	0.7
89.02468	1.2
93.03506	0.5
95.01433	1.9
95.18158	0.6
96.96008	33.2
97.02968	1.0
99.00925	2.3
101.02473	0.9
105.06041	0.5
107.01385	12.4
107.02027	0.8
113.02440	7.9
115.00397	0.9
117.02013	0.5
123.04569	1.2
125.02441	11.3
125.03297	0.8
129.01945	0.8
151.00359	27.8
152.00789	0.7
159.04549	0.8
161.02496	0.9
165.01950	2.3
167.03575	1.4
171.10432	0.6
172.05344	2.0
173.04539	1.0
174.03273	0.8
175.02496	2.1
185.06099	1.3
186.06839	4.6
189.05724	0.6
191.05646	2.3
197.11853	1.0
199.06075	0.5
199.07524	2.7
200.04860	0.9
209.06129	0.7
209.11897	1.1
212.04897	0.8
225.05415	0.8
255.03064	0.9
255.13905	1.0
256.03653	0.7
269.04572	0.7
283.02554	0.8
284.03403	1.4
290.27689	0.6
292.03845	0.9
295.02426	0.8
297.14911	8.7
298.04709	1.0
308.03220	1.8
309.04013	6.7
314.15152	0.8
315.16052	1.1
319.02591	1.5
320.03186	5.6
322.04703	0.6
324.02667	1.3
325.14383	1.8
329.17581	6.7
330.18277	0.6
337.03543	1.3
338.04321	3.5
338.15186	0.5
343.15607	1.5
357.17105	8.3
358.17322	0.7
369.13370	1.1
382.16409	0.6
383.14883	2.2
405.16895	0.9
407.14963	2.5
449.16019	1.6
459.14410	0.9
463.17511	2.3
477.15616	2.4
478.16119	0.7
479.17010	4.2
481.18768	5.6
491.17065	16.7
492.17377	1.9
509.18115	100.0
510.18469	16.3
557.75342	0.6
685.21210	26.9
685.30750	1.8
686.21564	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	685.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90101	0.6
52.68221	0.6
54.14544	0.6
55.01874	0.7
57.03431	2.6
59.01381	10.1
61.98796	0.8
63.02389	1.0
65.00308	1.1
67.01873	0.6
68.99809	1.0
70.84507	1.4
71.01006	1.0
71.01379	14.6
72.99301	2.8
73.02929	1.0
75.00876	5.6
83.01379	1.8
85.02947	27.6
86.09975	0.7
87.00880	3.6
89.02443	2.1
95.01383	7.1
96.95989	3.0
99.00870	8.7
103.00383	3.9
107.01382	2.0
109.15627	0.6
109.33352	0.5
109.61984	0.6
111.00896	0.9
113.02447	49.6
114.02795	0.9
115.00385	1.6
117.01931	2.5
129.01929	1.9
133.02945	1.9
134.03735	0.6
139.00328	0.8
151.00415	2.9
154.91898	1.3
175.02457	15.1
183.04474	1.0
187.03929	0.9
191.05673	0.7
199.03932	0.8
227.03484	2.5
239.03302	0.6
255.02966	66.8
256.03625	10.7
269.04495	1.5
270.05380	0.9
283.02463	38.5
284.03229	100.0
285.03836	18.3
286.04404	1.0
297.04016	11.6
298.04800	36.6
299.05222	4.1
313.03452	1.7
323.05383	0.8
327.05045	1.9
328.05298	0.6
339.05325	1.0
399.07202	5.2
459.05670	10.0
460.06433	11.2
461.06906	1.6
474.07724	0.9
477.15582	3.8
509.18127	58.8
510.18344	8.5
565.23767	0.8
685.21124	7.4
686.21167	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	683.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30306	0.4
54.83703	0.3
55.01870	1.2
57.03436	1.1
58.00583	0.5
59.01376	39.2
60.01703	0.6
61.98817	0.9
69.03456	0.5
69.28807	3.6
71.01376	16.0
72.46124	0.3
72.99315	0.9
73.02554	0.5
73.02944	7.7
75.00867	0.8
83.01386	3.0
85.02940	8.0
87.00851	1.2
89.02438	3.7
93.03428	1.0
95.01357	1.3
96.96009	1.9
97.02950	1.4
99.00865	4.8
101.02436	13.4
108.02192	0.7
109.02924	0.5
111.00850	1.1
112.01608	0.4
113.02448	6.7
119.03469	0.7
119.04948	0.4
121.02943	0.5
123.04532	6.0
124.01647	0.6
125.02411	1.4
129.01895	0.8
129.09229	0.4
137.03638	0.4
139.03917	0.5
143.03497	0.9
153.05559	8.7
154.05838	0.4
159.03001	1.8
161.04494	2.5
173.04515	2.5
177.01950	3.1
179.03406	0.4
191.05598	2.5
201.42618	0.4
243.19643	1.6
249.11015	0.5
277.31076	0.4
303.21692	1.0
311.28104	0.4
315.10886	1.3
337.05176	0.4
358.05530	0.4
387.23935	1.1
403.26999	0.7
405.24945	5.3
406.24988	0.5
447.25974	1.5
465.26791	1.6
489.27142	0.5
519.28687	0.5
521.20154	0.4
537.29224	1.2
538.29163	0.5
579.30054	3.7
580.29584	0.5
597.31061	1.4
621.31464	2.6
639.32257	100.0
640.32520	13.5
683.24951	0.8
683.38428	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	683.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	29.0
61.98828	20.6
71.01398	16.1
71.56303	8.0
85.01551	6.5
89.02435	13.9
96.95975	15.3
101.02434	13.0
122.88864	6.6
126.58428	6.8
152.35266	7.5
165.12711	9.4
191.05571	10.9
235.07962	7.2
249.18619	37.0
255.23116	9.8
277.21686	9.1
279.23615	8.5
304.42133	7.3
343.59280	8.1
397.13480	100.0
415.14542	31.5
415.59088	8.5
644.93579	7.3
647.32837	8.7
683.30212	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03423	0.7
58.00584	1.3
59.01378	39.2
69.39577	2.7
69.39966	0.9
70.72793	0.4
71.01379	28.1
72.99300	1.0
73.02936	1.0
83.01386	0.5
85.02958	3.3
87.00864	1.7
89.02441	37.4
90.02776	0.5
95.01396	1.5
98.19924	0.9
101.02441	15.1
102.02744	0.4
112.71797	0.4
113.02446	12.0
113.52699	0.4
119.03498	13.5
125.02469	0.4
131.03503	1.7
143.03467	2.7
147.34714	0.4
149.04532	0.9
161.04550	3.5
179.05606	14.6
180.05956	0.6
256.50986	0.4
341.10861	100.0
342.11206	7.5
382.51892	0.4
396.66946	0.4
417.24210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98831	1.6
62.61198	0.3
62.71673	0.4
71.01372	0.7
72.75056	0.4
74.11565	0.3
81.78599	0.5
82.85433	0.3
85.02959	1.0
88.76262	0.4
90.24313	0.4
93.03469	0.8
96.96030	1.1
98.19907	1.2
113.02417	0.9
117.03463	15.4
119.05024	22.8
121.02943	1.0
123.04539	0.5
133.02930	0.6
135.04474	0.7
145.02946	100.0
146.03268	4.5
163.04001	20.8
164.04419	1.0
171.10196	0.5
173.04529	1.0
181.88036	0.4
191.05624	1.8
269.21286	1.9
274.21283	0.5
287.19321	0.8
287.22272	8.5
415.24722	1.0
433.25909	86.3
434.26254	10.8
475.26828	1.2
507.26282	0.6
515.72650	0.4
597.54114	0.5
637.32062	3.6
706.56366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21969	0.6
59.01376	2.1
61.98819	3.0
71.56118	0.8
71.56499	0.8
91.98914	0.7
93.03430	0.8
96.96008	1.5
97.93307	0.6
113.02361	0.6
114.95791	0.5
117.03458	16.8
119.05027	23.0
120.05359	1.4
121.02927	2.0
123.04557	0.7
133.02942	0.9
145.02943	100.0
146.03285	4.4
163.04001	18.5
164.04393	1.0
170.80409	0.7
191.05563	1.4
209.04500	0.9
269.21204	1.8
273.18317	0.7
287.22253	8.6
292.11026	0.6
400.52432	0.7
415.24887	1.7
433.25894	74.2
434.26297	8.6
445.23193	0.9
467.74899	0.7
475.26907	2.3
522.89880	0.9
637.32153	14.5
638.32617	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96402	0.7
53.13597	0.7
57.03437	1.7
58.00576	1.6
58.84929	0.7
59.01382	31.9
61.98821	3.3
67.01895	1.0
69.03394	6.7
69.35342	6.5
71.01383	24.0
71.05047	0.9
72.99297	2.6
73.02950	4.8
75.00870	1.9
79.95725	0.8
81.03489	1.5
83.01388	3.2
83.05019	1.5
85.02959	7.6
87.00883	5.3
88.98859	1.0
89.02446	23.4
92.41463	0.7
93.03478	5.2
95.01408	1.6
96.96008	6.0
97.02950	2.3
97.06571	0.8
98.19962	1.8
98.95596	1.7
99.00871	1.9
101.02444	17.8
109.06580	1.2
110.15691	0.7
111.04492	2.0
113.02442	10.0
116.92873	1.0
117.03442	2.5
119.03517	7.0
119.05014	2.8
123.37164	0.9
125.01659	0.8
125.02477	7.8
127.04029	1.2
131.03461	1.1
135.04488	1.2
137.02452	1.6
139.03976	1.2
143.03491	3.1
145.02966	7.2
147.04498	0.8
149.04564	0.8
155.03474	1.0
161.04550	3.1
167.10797	4.1
173.04559	4.9
177.12726	1.0
179.03322	0.9
179.05618	4.1
179.10765	2.4
179.14397	3.8
191.03749	1.3
191.05609	21.8
192.05930	2.2
195.13898	12.4
205.12325	12.0
209.11824	0.8
221.06540	0.8
223.13390	100.0
224.13770	6.4
235.08232	6.4
253.09279	1.7
287.07803	2.2
305.08762	2.4
348.19916	0.7
397.13498	74.3
398.13885	6.2
415.14566	32.7
416.14844	1.6
433.25854	1.1
535.37610	0.8
621.27612	39.5
622.27869	5.7
637.31787	1.4
645.34863	1.4
681.42114	5.1
682.42261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
63.54547	0.2
68.67252	0.2
70.98367	0.5
71.01390	0.5
78.22784	0.2
78.76683	0.3
81.03436	0.4
81.21557	0.2
82.18761	0.2
83.05029	0.4
85.02960	1.0
87.00900	0.4
93.03458	2.4
102.36353	0.2
111.04515	1.7
119.05029	47.6
120.05353	1.9
120.22385	0.2
120.29005	0.2
123.68636	0.3
127.03994	0.4
129.01981	0.3
135.04529	0.7
137.02467	0.3
142.74478	0.3
155.03516	2.5
163.04008	100.0
164.04355	4.2
173.04562	3.1
191.05606	13.5
192.05911	0.4
269.05789	0.3
337.09271	46.0
338.09589	2.9
377.06332	0.3
436.80905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45757	0.3
58.34780	0.3
58.38594	0.3
59.01371	1.5
61.79605	0.3
71.01391	0.7
71.53706	0.3
71.54083	0.3
81.03470	0.3
85.02978	0.7
89.55273	0.3
93.03451	1.9
111.04507	1.6
119.05030	45.3
120.05392	1.3
121.56617	0.2
135.04523	0.6
137.02455	0.3
152.97406	0.3
153.37947	0.3
155.03519	2.5
163.04008	100.0
164.04350	3.7
173.04533	3.2
191.05615	7.8
239.74686	0.3
337.09271	41.1
338.09579	3.1
424.99564	0.4
654.99170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48770	0.1
51.38671	0.1
58.02972	0.3
58.32073	0.1
59.01375	0.6
61.43882	0.1
71.01388	0.5
72.04520	0.1
73.02945	0.3
80.05045	0.3
81.03451	6.3
82.03809	0.2
83.05020	17.2
84.05333	0.3
85.02946	0.1
91.85261	0.1
93.03457	0.4
93.54113	0.1
96.95457	0.1
96.95966	0.7
97.02862	0.1
100.07668	0.3
101.02454	0.1
107.06161	0.4
108.04554	0.5
113.02462	0.3
115.00414	0.2
125.07193	1.0
126.05632	0.5
133.02902	0.2
133.60980	0.1
143.08253	0.5
152.13275	0.1
173.04533	0.7
191.05640	0.8
197.31769	0.1
207.14989	1.3
221.72818	0.1
222.16002	0.1
224.17664	2.4
225.16055	13.0
226.16429	0.5
229.14413	0.4
242.18651	0.8
250.15590	0.3
257.28192	0.1
283.15182	0.1
290.22592	0.2
309.21875	0.8
324.26538	0.6
327.05035	0.2
333.22983	1.0
341.29196	0.7
350.24323	0.2
351.24179	0.2
367.27151	1.1
385.28308	0.3
407.33643	0.2
433.31616	1.2
434.32208	0.2
447.09421	0.2
450.34448	1.2
451.32883	6.6
452.33228	0.7
476.32675	0.2
535.38788	0.2
550.43439	0.9
559.39325	0.2
565.44531	0.5
593.44012	0.4
633.26044	0.2
659.48364	1.6
660.48883	0.3
677.49615	100.0
678.49896	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	677.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09049	1.5
57.54679	1.5
57.64916	1.6
57.65192	1.7
59.01383	2.2
61.98817	4.5
71.01378	2.1
71.10903	3.5
78.95898	10.4
79.69895	1.6
88.19191	1.4
88.78078	1.4
92.75941	1.6
93.03437	1.7
125.09698	1.6
127.11257	2.1
152.99547	6.8
171.10179	2.9
199.09721	5.0
200.10515	3.1
201.11391	3.8
209.11821	2.9
210.12050	1.7
215.86215	1.6
247.20705	4.9
258.05029	7.7
260.04770	2.3
289.18188	2.0
291.19540	8.1
298.08099	1.5
309.20679	100.0
310.21039	8.9
331.18777	4.8
367.15179	5.2
517.84271	2.0
677.35583	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	677.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33039	0.4
57.03440	0.9
59.01367	1.5
61.98826	0.5
62.54752	0.5
69.03468	1.3
71.01388	1.9
71.05009	0.7
72.99311	0.7
79.80387	0.5
80.02682	0.7
81.03460	0.8
83.01403	0.5
83.05032	1.3
84.02176	1.0
85.02955	5.0
93.03468	3.0
95.05022	1.2
96.96027	4.8
97.02942	3.2
97.06609	1.9
109.02942	1.2
111.04551	1.0
116.92856	0.5
123.08118	0.5
125.09692	1.4
127.07690	0.6
127.11292	0.6
133.02959	0.7
134.03775	0.8
135.04515	1.9
135.08165	0.8
137.02470	1.2
137.09735	2.1
139.11284	0.9
141.09267	0.8
147.04465	0.5
149.06059	0.5
153.12846	0.9
155.03474	0.9
155.10818	0.7
157.60291	0.6
163.07625	0.7
163.11223	1.1
165.12852	11.5
167.14484	0.5
169.12306	0.5
171.10278	7.5
172.10580	0.6
173.04608	5.8
173.06036	0.8
175.04044	0.5
175.07622	0.7
175.11304	0.6
179.03464	0.7
179.10695	1.2
181.12302	0.7
183.13934	2.5
185.06169	0.7
185.11787	1.4
186.06903	0.6
187.07614	0.9
191.05582	6.1
191.06990	0.6
193.06700	0.6
193.08440	9.7
193.12306	2.3
197.11745	1.0
201.05519	0.6
203.07056	0.8
203.10574	1.7
205.08598	1.0
205.12061	1.9
207.10028	12.9
208.10321	0.8
209.07890	0.7
209.11853	2.5
211.07635	0.6
211.13382	10.5
213.09088	1.1
215.10545	1.0
219.10069	4.0
221.11620	8.4
223.09496	0.6
223.13148	0.5
227.13046	0.7
229.14432	7.4
230.14697	0.6
231.10010	6.8
233.11586	62.6
234.11951	3.7
235.09564	1.2
239.12917	1.1
243.09979	1.9
247.09624	1.7
248.10229	1.4
249.11142	9.0
250.11166	0.6
251.12799	13.4
255.14009	1.0
261.11060	14.2
261.57730	0.5
262.11417	0.6
278.11484	1.0
285.04095	0.6
291.19778	1.5
309.20627	0.6
313.17886	4.2
327.21762	64.5
328.22073	5.0
329.17419	0.6
331.18872	6.7
344.16022	0.8
349.19946	100.0
350.20285	9.7
352.08032	0.6
391.22687	1.0
409.24088	1.1
427.24878	4.7
428.25241	1.0
441.22797	1.5
459.24219	0.7
471.23779	1.6
503.22806	2.5
633.31049	0.6
645.29126	3.2
646.29395	0.8
677.28613	1.8
677.42181	9.6
678.42426	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	675.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95636	0.3
59.01377	100.0
60.01711	0.7
61.07303	0.3
61.98851	0.3
64.37055	0.3
65.54556	0.3
71.03628	0.7
98.20530	0.4
110.98561	0.3
129.67302	0.3
147.07564	0.3
254.07639	0.3
322.89624	0.4
375.23129	0.4
389.96292	0.3
618.61310	0.4
647.78473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49345	0.2
55.01871	0.8
57.03448	0.9
58.00595	1.9
59.01377	36.8
60.01690	0.2
61.98843	0.2
67.01884	0.2
68.99813	0.3
69.03462	2.0
71.01377	32.9
72.01724	0.6
72.99309	2.6
73.02944	5.5
75.00887	0.8
77.72916	0.2
78.95911	0.4
80.96510	0.7
81.03451	1.5
83.01382	3.9
83.05017	0.3
85.02946	7.8
86.00064	0.4
87.00330	0.4
87.00871	8.9
89.02441	29.5
90.02769	0.3
91.04020	0.7
93.03437	0.5
95.01388	2.0
97.02947	6.2
99.00879	1.8
99.04510	0.4
101.02440	27.0
102.02772	0.6
103.00381	0.4
103.04023	0.6
109.02959	0.8
111.00873	0.7
111.04519	0.9
112.01652	0.4
113.02445	12.9
114.02774	0.3
115.04012	0.8
115.92053	0.5
116.92823	0.4
119.03496	9.1
121.02943	0.8
123.04543	0.5
124.01577	0.3
125.02441	11.5
126.02808	0.2
127.04005	0.5
129.01961	0.3
131.03493	1.4
133.05051	1.1
139.03992	1.0
141.01883	0.6
143.03491	5.6
144.03831	0.3
149.04510	0.7
152.99612	0.3
161.04546	6.6
162.04887	0.2
167.03487	0.6
169.05000	0.5
171.02975	0.2
173.73355	0.2
175.59967	0.2
179.05598	5.7
185.04582	0.4
199.06102	0.5
203.05563	0.5
217.07150	0.9
219.05066	0.2
221.06613	2.2
235.08200	13.6
236.08536	0.5
245.06595	1.0
253.09250	3.0
259.08011	0.2
261.22021	0.5
263.07660	1.5
277.09341	1.1
279.23257	100.0
280.23593	9.1
287.07684	3.7
288.07990	0.3
293.24872	0.4
305.08746	4.0
323.09772	1.5
361.11313	0.4
379.12216	0.8
397.13464	84.8
398.13821	6.4
408.98761	0.2
415.14539	33.8
416.14899	2.7
577.26624	0.4
579.27338	0.4
581.69177	0.2
595.57147	0.3
677.19391	0.3
677.37079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
56.99796	0.2
57.03444	1.2
57.80415	0.2
58.00597	2.1
59.01375	49.1
60.01707	0.4
61.98816	0.3
67.01885	0.3
68.99807	0.6
69.03445	2.4
70.56504	0.4
71.01376	41.8
72.01701	0.5
72.99304	2.8
73.02940	7.1
75.00856	1.0
75.59085	0.2
78.95893	0.2
81.03444	1.9
83.00911	0.3
83.01384	4.7
83.05038	0.5
85.02944	8.6
85.03465	0.4
86.00092	0.3
87.00872	9.0
87.04476	0.4
89.02438	36.6
90.02779	0.4
91.03985	0.9
93.03410	0.3
95.01379	3.1
95.05030	0.3
97.02943	7.3
98.03310	0.2
99.00877	2.7
99.04533	0.7
101.02435	34.5
102.02770	0.6
103.03994	0.6
109.02966	0.6
111.00896	0.6
111.04515	1.4
112.01628	0.2
113.02438	17.1
114.02760	0.5
115.04013	0.7
119.03488	11.0
121.02938	0.7
122.62615	0.2
123.00829	0.2
123.04546	0.5
124.01659	0.5
125.02436	14.5
126.02782	0.3
127.04009	0.5
127.07587	0.2
131.03493	2.0
133.05072	1.3
137.02379	0.3
139.03975	0.9
141.01961	0.7
143.03491	6.7
149.02417	0.4
149.04521	1.1
152.99548	0.4
157.05060	0.3
159.82024	0.2
161.04535	8.9
167.03459	1.0
169.05064	0.6
171.02988	0.4
179.05603	6.9
180.05945	0.3
181.05106	0.3
185.04523	0.7
199.06117	0.5
203.05540	0.5
217.07138	1.3
219.05032	0.5
221.06630	2.4
233.22768	0.6
235.08205	17.0
236.08542	0.7
237.35330	0.2
245.06596	1.0
245.09177	0.2
253.09248	5.8
254.09657	0.2
259.20703	0.5
263.07690	1.8
275.20084	0.2
277.09241	0.8
277.21683	100.0
278.22031	9.3
287.07690	3.7
291.23373	0.3
305.08768	4.7
323.09772	1.8
324.10251	0.3
336.55838	0.2
361.11340	0.7
374.47467	0.2
379.12445	1.3
397.13449	97.4
398.13788	7.0
406.26663	0.2
415.14514	37.8
416.14807	3.0
593.27295	0.8
675.35724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03448	1.0
58.00595	1.6
59.01377	49.8
60.01720	0.5
67.01894	0.4
68.99809	0.7
69.03453	2.2
69.19135	0.4
69.79993	0.8
69.80403	1.2
71.01378	38.7
72.01707	0.4
72.99297	2.0
73.02941	7.7
75.00880	0.8
80.11172	0.3
81.03451	1.7
83.01373	5.0
83.05020	0.5
85.02943	9.2
87.00871	9.0
87.01376	0.7
87.04511	0.4
89.02438	35.1
90.02795	0.7
91.04014	0.9
93.03471	0.5
95.01398	2.5
97.02945	7.0
99.00881	2.2
101.02436	33.4
102.02761	0.6
103.04018	0.5
109.02976	0.8
111.00887	0.5
111.04527	1.1
111.55177	0.3
112.01644	0.4
113.02443	16.2
114.02773	0.4
115.04003	0.7
119.03497	9.4
119.04344	0.7
121.02977	0.6
123.00915	0.4
124.01662	0.6
125.02440	13.7
126.02815	0.6
127.07650	0.4
129.02022	0.3
131.03477	1.6
133.05070	0.8
137.02454	0.7
139.04021	0.8
141.01857	0.5
141.05591	0.3
143.03496	6.0
149.04567	1.1
161.04544	8.4
167.03517	0.8
169.05190	0.4
171.03009	0.5
179.03444	0.3
179.04042	0.6
179.05603	6.9
185.04547	1.0
199.06140	0.7
203.05569	0.6
217.07088	1.3
217.55945	0.3
221.06631	2.6
233.22786	0.4
235.08200	15.5
236.08595	0.4
245.06624	0.4
253.09244	3.9
259.20505	0.4
263.07715	1.3
275.19980	0.6
277.09320	1.0
277.21686	100.0
278.22046	9.2
287.07706	3.6
291.23254	0.5
305.08755	4.3
323.09695	1.9
361.11441	0.7
379.12457	1.3
397.13467	94.9
398.13831	7.0
415.14526	36.7
416.14966	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	675.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53527	0.7
59.01368	3.2
59.86009	0.8
61.98825	4.3
64.11415	0.8
69.03439	0.8
69.19109	1.8
69.19519	6.2
70.94991	0.7
71.01383	8.4
71.24876	0.8
73.02941	2.0
78.95868	1.0
78.98576	4.5
79.95730	6.5
80.96512	42.4
85.02922	3.0
87.00854	2.4
89.02448	1.6
94.98075	10.0
96.95995	5.6
97.02953	1.3
99.82452	1.0
101.02435	3.5
106.98070	2.6
107.61005	0.8
113.02441	2.8
122.97578	4.2
125.02425	1.5
134.97583	3.3
136.99120	1.5
148.99171	4.9
152.98622	4.5
161.04488	1.4
164.98633	9.5
178.93265	1.3
182.99635	1.4
206.99655	2.3
225.00703	13.7
235.08167	1.4
243.01759	1.2
273.00833	0.8
277.21719	8.6
299.04388	3.0
325.91217	1.0
397.01227	1.8
397.13336	4.4
415.14456	3.4
439.14209	0.9
457.27637	0.9
577.26831	100.0
578.27106	16.2
615.21277	1.6
684.81122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36350	0.5
56.32591	0.5
69.50137	1.1
69.50549	2.4
81.03490	0.7
85.02943	1.3
87.00835	0.5
90.86252	0.5
93.03458	3.1
101.70653	0.5
111.04495	2.0
119.05019	45.7
120.05352	1.9
155.03464	1.6
163.03998	100.0
164.04338	4.7
173.04529	4.3
191.05600	30.5
192.06000	0.7
283.09796	0.5
283.24649	0.5
337.09244	44.3
338.09518	4.2
409.75333	0.6
553.92365	0.7
672.81335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84676	0.4
59.01360	1.6
60.99326	0.4
65.03936	0.5
67.01879	2.8
69.03460	0.5
71.01392	2.3
71.11995	0.9
71.12347	0.6
73.15003	0.4
81.03459	0.8
83.02052	0.3
83.05021	0.9
85.02947	1.7
87.00864	0.9
93.03459	19.9
94.03810	0.4
109.02946	0.9
111.04523	4.7
113.02428	0.5
119.05023	16.0
120.05353	0.5
125.42453	0.4
127.04012	1.0
137.02431	3.3
138.03769	0.4
155.03491	4.0
163.04007	13.5
164.04337	0.6
173.04541	100.0
174.04883	3.9
191.05594	10.7
327.08719	1.6
337.09277	36.3
338.09634	3.5
501.13843	0.6
605.06055	0.4
641.05505	0.4
675.19104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4008
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03442	1.3
59.01380	4.4
61.98835	2.8
64.19512	0.5
69.03437	0.6
69.36689	1.6
69.37110	2.2
69.93356	0.4
70.64895	0.5
71.01386	3.1
78.95900	0.7
83.05055	0.5
85.02946	3.7
87.00873	1.1
88.98808	0.5
89.02433	0.7
93.03459	2.1
95.01385	0.6
96.95998	3.7
98.19920	1.0
98.95559	0.6
99.00882	0.8
99.04509	0.8
101.02417	0.9
109.03020	0.6
109.06585	0.5
113.02435	2.9
121.02893	0.5
126.87930	0.4
135.04483	0.6
135.08171	1.6
136.30843	0.5
137.09717	0.9
149.06062	2.4
150.06850	21.0
150.08052	1.1
151.00369	0.7
151.07440	0.6
155.10745	0.9
161.09631	0.6
162.06830	0.9
163.07643	14.4
163.11292	0.7
164.08484	2.9
171.10184	1.4
173.04506	2.6
175.02437	1.0
176.08405	0.8
178.09940	1.9
179.10760	6.5
191.05586	4.9
193.08720	0.6
207.10281	1.5
209.11737	3.0
225.11353	2.5
227.12852	1.7
253.09285	0.7
256.03659	1.1
281.24850	0.7
283.02426	1.5
284.03229	5.1
285.03781	1.0
285.20547	0.8
327.25223	2.9
329.23428	3.6
446.33984	0.9
448.31714	3.5
461.20184	0.7
462.33420	3.8
463.34241	6.6
472.31866	0.6
490.32980	5.9
491.33615	2.1
495.16092	2.6
496.16742	0.6
508.34134	10.3
509.34756	23.4
510.35434	2.6
551.19391	0.7
611.38287	0.7
635.37970	0.8
653.31348	1.1
671.40131	100.0
672.40533	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	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76305	0.3
55.01871	1.6
56.29563	0.3
57.03446	2.4
57.90522	0.3
58.00594	2.9
59.01377	100.0
59.88411	0.3
60.01709	1.1
67.01888	0.6
68.99794	0.5
69.03454	0.8
70.93914	0.7
71.01379	57.4
72.01714	0.5
72.99300	4.0
73.02945	10.1
75.00874	2.2
79.29317	0.3
81.03448	0.6
83.01389	4.6
84.02170	0.7
85.02950	23.5
86.03268	0.4
87.00884	4.1
89.02442	40.4
90.02776	0.4
93.03457	0.6
95.01380	8.0
96.96006	0.5
97.02943	1.3
99.00880	4.1
99.04520	0.4
101.02439	30.6
102.02765	0.5
103.00358	1.0
107.01381	0.6
111.00851	0.6
113.02448	50.4
114.02758	1.2
115.00335	0.6
117.01955	0.7
119.03498	18.3
120.03835	0.4
121.02972	0.4
124.01644	0.9
125.02433	3.2
129.01910	0.7
131.03484	2.6
132.27809	0.3
133.02995	0.7
137.02452	0.4
143.03491	5.8
149.04541	1.9
151.00354	1.1
159.02954	0.7
161.04546	11.0
162.04944	0.4
165.01837	0.3
167.03470	0.6
173.04482	0.7
175.02478	6.0
179.05595	9.3
179.59669	0.3
180.05818	0.3
187.81514	0.3
191.05605	1.1
199.07637	0.4
201.01851	0.3
201.11459	0.3
203.05576	0.3
207.10168	0.8
209.11829	1.5
225.11263	0.5
255.02985	3.2
256.03717	8.2
257.04059	0.8
269.04471	0.4
283.02444	7.3
284.03244	29.5
285.03751	4.6
297.04092	2.1
297.14960	0.5
298.04709	0.3
313.03479	0.6
329.23172	1.1
449.28894	0.8
459.05444	1.2
460.06216	1.2
467.30533	1.6
491.29932	0.5
495.16592	9.2
496.17136	1.6
533.18073	0.8
551.19232	3.3
552.19177	0.5
575.31732	0.5
581.19769	1.2
585.21906	0.3
611.34302	33.0
612.34705	5.7
616.84570	0.3
629.35364	37.9
630.35724	6.1
635.29108	0.3
671.19922	4.8
671.36005	3.3
672.20428	0.7
672.36670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90120	0.4
59.01380	100.0
61.98827	0.6
71.01382	1.2
71.55939	0.6
78.95917	0.9
83.27596	0.5
85.02955	1.2
88.03164	0.5
93.03452	0.5
95.05051	0.6
96.96027	2.1
96.99321	1.4
101.02480	0.7
105.53681	0.5
113.02463	1.2
125.09712	0.5
141.01704	71.1
142.02034	1.4
142.05130	1.0
146.17038	0.5
171.10297	1.4
172.18358	0.5
173.04549	0.7
191.05646	1.0
207.10225	0.7
209.11879	2.9
211.13379	0.8
224.14018	0.5
225.11301	1.0
233.15497	2.0
247.16998	0.9
253.09241	5.7
259.59579	0.5
269.04456	0.9
275.06030	5.4
278.11432	1.9
284.03302	1.7
285.04059	2.7
293.21188	5.1
297.04068	2.7
298.04868	5.4
299.05106	0.7
313.03491	6.8
315.19421	1.7
326.04276	0.6
335.09601	0.5
375.21585	1.7
417.26587	2.6
435.27695	1.2
445.07715	2.0
446.08542	8.1
447.08801	1.4
461.20007	0.7
492.98587	0.5
529.29987	0.8
551.19263	1.0
551.27008	0.7
566.21997	0.7
568.22620	0.5
653.35547	3.4
654.35413	0.6
671.23499	1.8
701.96613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11351	1.0
57.03440	1.5
59.01382	17.5
61.98835	1.7
64.21253	0.9
71.01370	4.0
71.56033	1.2
83.01382	1.3
85.02948	1.1
89.02415	1.3
92.92799	1.0
93.03458	1.2
96.96009	4.0
99.00891	1.2
101.02428	2.8
109.06564	1.7
113.02438	4.3
125.09737	3.4
126.90354	1.9
132.02194	1.4
133.02930	7.9
134.03764	2.0
135.00899	1.2
135.04491	1.0
141.01704	8.1
149.02357	1.5
152.74486	1.0
161.02434	2.7
163.00330	3.5
163.11292	1.6
164.01131	1.1
165.01961	1.5
165.12843	1.3
171.10237	1.5
173.04501	1.6
175.04027	1.2
178.99866	3.2
183.13889	4.1
191.05614	2.3
199.04005	2.1
201.01920	2.0
207.10294	3.6
207.13943	2.0
209.11850	6.0
211.13391	3.5
225.05424	1.9
225.11281	2.5
227.12914	1.3
233.15483	11.1
241.05037	2.7
247.17027	3.4
249.14784	1.3
253.05142	1.5
253.09286	4.1
255.02946	3.1
256.03699	1.3
268.03717	1.3
269.04541	32.1
270.05118	2.5
283.02417	1.5
284.03201	10.7
285.04028	20.3
286.04312	1.4
296.03217	1.8
297.00613	1.5
297.04056	44.5
298.04819	74.2
299.05261	8.0
309.04022	2.7
311.02005	2.9
312.06406	1.6
313.03555	69.7
314.03900	5.2
325.03534	8.9
326.04208	10.0
327.05042	9.1
330.03827	2.7
339.04968	2.6
340.05777	5.5
355.04514	2.0
356.05264	2.0
375.25140	1.1
405.05524	1.0
417.26492	12.2
435.27670	3.2
445.07748	40.3
446.08524	100.0
447.08978	12.2
471.22153	1.2
523.18964	1.5
551.19128	20.2
552.19397	3.4
581.20264	1.5
653.35571	18.2
654.35785	3.2
671.23291	33.4
671.33392	5.5
672.23657	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	671.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66632	0.7
59.01378	100.0
61.98819	1.3
65.25338	0.8
71.01392	1.4
87.32016	0.7
92.92826	0.9
95.01369	0.9
95.05002	0.9
96.96033	3.1
98.20699	1.3
99.00899	1.6
110.77247	0.7
113.02452	0.9
141.01695	70.4
163.11389	0.7
171.10341	0.9
171.20204	0.7
181.12411	1.9
207.10335	2.4
209.11790	8.2
209.13452	0.9
210.12234	1.0
225.11375	2.9
243.12431	1.1
253.09193	4.4
269.04660	2.1
275.06107	1.6
284.03027	0.9
293.21280	5.6
315.19434	1.0
335.09537	1.7
375.21820	2.2
493.30475	1.0
529.30695	0.9
551.19293	1.1
553.44562	0.9
566.04913	0.7
671.23096	2.4
671.33417	8.9
672.33386	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	671.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16284	0.5
57.03444	5.5
59.01372	5.2
63.02418	1.4
65.00316	6.7
70.30221	2.2
71.01371	4.9
72.15908	0.6
73.02953	0.8
75.00900	1.7
81.03518	0.6
83.01385	3.8
85.02941	4.8
87.00887	1.1
89.02500	1.7
93.03500	0.8
95.01405	1.5
96.96045	1.1
99.00935	2.2
101.02453	0.8
106.59228	0.6
107.01391	8.5
113.02447	5.8
115.00402	0.8
117.92693	0.6
119.04988	0.7
121.02947	3.6
123.04574	0.8
125.02444	51.8
126.02795	1.3
129.02026	0.6
131.31738	0.5
136.14307	0.6
137.02495	0.7
145.03061	0.9
147.71915	0.6
151.00372	22.9
152.00862	0.8
160.05347	0.8
161.02504	0.6
165.01964	0.9
167.03548	2.3
172.05336	2.0
173.04608	1.4
173.05969	0.8
174.03311	1.2
175.02544	1.3
185.06093	1.2
186.03209	0.6
186.06935	2.4
191.05598	3.4
200.04875	1.3
209.11960	1.0
212.04796	3.2
214.06381	0.7
224.04880	0.8
225.05586	0.6
225.11501	0.8
240.04263	1.4
255.13960	0.9
256.03903	1.2
271.17010	0.6
281.15475	0.7
283.02499	1.1
284.03156	5.4
285.03964	0.8
289.48166	0.6
295.02637	1.2
296.03186	3.4
297.03949	0.9
297.14957	7.9
298.04724	0.8
298.15128	0.7
308.03412	0.6
309.04108	3.7
311.16568	4.9
315.15866	6.9
323.12894	0.8
325.14548	4.4
337.03561	1.0
339.15842	0.9
341.13974	2.2
343.15482	13.3
344.15945	1.3
349.14252	0.9
367.15372	3.3
369.13416	21.4
370.13901	1.5
381.17270	0.8
391.15475	4.9
392.15973	0.6
409.16125	0.8
415.14273	0.6
433.16766	1.0
449.16016	2.3
459.14133	1.1
467.16913	4.8
473.21835	2.4
477.15509	9.9
478.15710	0.9
495.16599	100.0
496.16995	12.2
552.80896	0.7
594.95093	0.7
607.83264	0.6
635.27362	0.7
653.18390	1.7
671.19763	30.9
672.19946	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	671.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01381	8.0
61.98824	1.1
65.00325	0.8
69.03433	0.6
70.49191	0.5
71.01006	1.0
71.01388	8.3
71.55479	0.9
72.99294	1.8
73.02930	1.7
74.53593	0.6
75.00868	3.1
75.01758	0.5
75.92511	0.5
81.03446	0.6
83.01385	1.5
83.05029	0.8
85.02453	0.9
85.02956	13.5
87.00880	2.0
89.02430	3.0
93.03473	2.7
95.01389	4.7
95.05011	0.6
96.96009	1.8
97.02946	1.0
99.00886	4.7
101.02439	1.4
103.00356	1.6
103.91439	0.5
105.35617	0.5
107.01383	1.5
109.06573	0.6
111.04539	0.9
111.61358	0.6
113.02452	23.5
114.02796	0.8
115.00381	0.6
117.01898	1.1
119.03538	0.6
121.02969	0.8
125.02478	3.3
125.09702	0.7
129.01921	1.0
133.02975	1.1
134.03719	0.7
137.02463	1.2
149.02484	0.8
151.00363	3.9
161.04510	0.6
163.00386	1.0
163.11253	1.2
165.01863	0.9
167.03534	1.3
173.04590	5.4
175.02483	9.9
177.01970	0.7
181.12321	1.2
186.06865	0.6
187.03978	0.7
191.05745	2.4
193.01379	1.4
195.04445	0.6
199.03926	0.5
199.13452	0.6
207.10260	3.6
209.11816	6.3
211.04175	0.9
211.53918	0.5
225.11310	5.3
227.03561	1.6
227.12921	1.2
253.09337	0.7
255.00276	0.5
255.02975	15.5
256.03769	17.7
257.04095	1.1
269.04272	1.0
283.02481	25.7
284.03253	100.0
285.03906	13.6
297.04028	7.3
297.14963	1.8
298.04654	1.9
307.54129	0.5
313.03558	1.3
323.05609	0.5
326.04208	0.7
327.04791	0.7
329.17474	1.3
339.04831	0.7
357.17218	1.4
399.07187	3.2
407.14774	0.8
443.19193	0.7
446.08572	0.7
459.05624	4.6
460.06467	6.2
461.07025	0.9
461.20328	1.2
491.16837	0.7
495.16602	31.0
496.17236	3.2
497.27457	0.9
509.18106	0.8
533.18311	2.1
551.19165	7.9
552.19519	0.9
563.18866	0.9
581.20477	3.7
635.31213	0.8
653.32062	1.2
671.20276	12.5
671.33087	6.4
672.20758	2.0
672.31952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42294	0.4
57.03444	6.8
59.01376	4.9
61.32652	0.4
61.98830	0.8
63.02399	1.5
65.00324	7.8
66.08379	0.4
67.27450	0.4
70.14742	1.6
71.01379	4.5
71.13983	0.4
72.99311	0.9
73.02951	0.6
75.00865	1.1
77.03588	0.3
80.51293	0.4
83.01371	4.2
84.02129	0.4
85.02936	4.7
87.00869	1.6
89.02462	0.7
93.03443	1.0
95.01382	1.2
96.96008	1.9
97.16264	0.4
99.00871	2.1
101.02399	0.7
103.00349	0.6
107.01385	10.2
113.02442	5.0
114.25861	0.4
115.00372	0.6
117.01965	0.7
123.04486	0.5
125.02441	71.4
126.02783	1.6
129.01921	0.6
134.03703	0.5
149.02408	0.9
151.00357	21.8
152.00607	0.6
161.02457	0.7
165.01897	0.8
167.03485	1.9
172.05319	2.7
173.04524	1.1
174.03227	1.4
175.02460	1.8
185.06058	1.0
186.06831	3.5
191.05576	2.4
198.03195	0.7
198.06851	0.6
199.07622	0.7
200.04695	1.0
207.10179	0.7
209.11816	1.6
211.03961	0.6
212.04742	3.4
213.05087	0.4
227.03467	0.9
228.04121	0.9
239.03493	0.6
240.04221	1.0
255.02925	0.5
256.03699	1.6
267.02960	0.6
281.15408	1.3
283.02344	1.1
283.13336	0.4
284.03253	6.8
285.03876	1.1
285.28513	0.4
295.02512	1.1
296.03195	3.3
297.03918	1.0
297.14951	11.2
298.04953	0.5
298.15363	0.9
309.03992	3.5
315.15991	8.9
315.79248	0.5
316.16226	0.8
323.12830	0.5
324.02551	0.5
325.14435	5.9
336.02960	0.5
337.03259	0.7
338.04065	0.9
339.16040	1.0
341.13913	4.2
343.15479	16.5
344.15656	0.8
349.14578	0.7
363.15918	1.0
367.15433	4.6
368.15686	0.6
369.13376	24.1
370.13708	2.6
390.14746	0.7
391.15503	5.3
392.15833	0.5
433.16641	1.3
435.14923	0.6
449.16135	3.1
459.14297	0.8
460.15625	0.5
467.17044	5.3
477.15448	10.6
478.15759	1.2
483.36023	0.4
495.16577	100.0
496.16901	13.2
630.89307	0.4
636.62531	0.5
653.18811	0.8
671.19751	33.5
672.20013	5.2
681.48730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.1
59.01381	5.3
60.36643	0.5
61.98839	2.6
62.09472	0.4
63.02394	1.0
64.03375	0.4
65.00328	5.2
65.93577	0.4
67.01891	0.6
69.28490	3.4
69.28905	0.7
71.01387	4.6
71.50382	0.4
72.99285	0.6
73.02943	1.2
75.00867	1.2
75.93890	0.4
81.03445	0.9
83.01395	3.5
85.02955	5.6
87.00867	1.4
89.02432	0.9
93.03458	1.4
95.01382	1.6
96.96011	3.7
99.00891	2.7
100.59550	0.4
101.02414	1.3
103.00375	0.6
107.01397	8.6
111.04499	1.0
113.02460	6.3
115.00368	0.6
119.05086	1.0
121.03006	0.8
123.04516	2.5
124.01621	0.9
125.02453	16.1
133.02914	0.5
135.04427	0.7
136.05298	3.9
137.02460	0.6
137.06174	0.6
149.06087	0.6
150.06813	0.4
151.00377	28.1
152.00729	0.9
158.51161	0.4
159.04579	0.8
160.05318	0.7
161.02504	1.0
164.08383	0.5
165.01959	1.2
165.09225	3.8
167.03499	4.0
172.05347	0.9
173.04539	3.5
173.05933	0.9
174.06827	0.9
175.02473	1.5
175.03964	0.5
184.05333	0.5
185.06071	1.0
186.06857	1.0
188.04744	0.8
191.05617	4.4
196.05217	0.6
199.07664	0.6
200.04857	1.0
202.06354	2.4
209.06091	0.5
209.11824	1.5
210.06845	0.6
211.04077	0.6
212.04819	0.4
220.29840	0.4
224.04684	1.0
225.11311	0.5
227.03593	0.6
227.12741	0.5
238.06163	0.5
239.03418	0.5
240.04297	2.1
256.03824	0.4
264.04202	0.8
265.04935	0.5
266.05798	0.8
281.15540	0.5
283.02618	0.9
284.03223	3.7
285.03900	1.7
297.15067	0.9
306.05304	0.5
307.06195	0.5
307.13391	1.7
308.03082	0.5
309.04102	2.7
309.15021	0.8
315.16000	1.9
322.04623	0.5
323.05493	0.6
325.14474	4.0
334.04788	1.0
343.15549	3.1
343.21429	1.1
349.14273	0.6
351.12357	1.5
367.15524	3.8
369.13388	6.7
370.13507	0.5
391.15485	2.0
393.13699	0.7
409.16656	1.2
433.12820	1.8
435.14499	0.6
451.13800	3.6
459.14157	0.5
463.30676	1.7
471.20135	0.7
477.15533	5.1
478.15738	0.6
495.16623	100.0
496.16977	13.5
509.31094	4.7
653.18494	0.9
671.19910	20.6
671.36542	19.2
672.19977	3.9
672.36774	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	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.56798	0.8
57.03438	1.1
59.01381	4.0
61.98814	3.9
67.01878	0.7
71.01370	2.5
73.02936	0.7
75.22942	0.7
78.95885	0.8
79.95739	0.6
85.02927	3.1
87.00882	0.9
89.02452	1.3
93.03434	0.8
96.96008	6.5
98.95568	2.5
101.02435	2.0
107.45735	0.9
113.02457	1.3
116.92091	0.7
116.92852	2.5
128.67909	0.7
135.04587	0.8
149.06061	2.3
150.06851	22.0
151.07584	1.0
157.08652	1.1
161.02452	2.9
162.06750	0.8
163.07626	13.2
164.08365	2.5
167.67372	0.7
171.10277	1.9
173.04495	2.1
176.08453	1.2
178.09966	1.8
179.10789	6.8
179.92639	0.7
191.05565	2.1
193.08792	0.8
207.10258	0.9
225.11517	1.1
279.23279	1.8
281.21228	0.9
325.23798	2.8
325.27475	0.9
327.21719	3.9
397.13712	1.2
428.29364	0.9
444.32440	1.3
446.30344	4.4
447.30927	0.9
460.31863	3.6
461.32727	7.3
462.32983	2.0
463.10593	1.5
465.24600	1.5
471.06403	0.7
471.68680	0.9
488.31650	4.6
489.32175	1.7
506.32437	9.3
507.26175	1.4
507.33228	18.0
507.40710	1.1
508.33685	2.3
605.56232	0.8
639.13531	1.0
669.38568	100.0
670.38940	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	671.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	4.9
61.98845	1.7
63.02405	0.7
64.51865	0.6
65.00329	2.5
68.81853	0.5
69.03477	0.5
71.01371	4.8
71.56043	0.8
72.99321	0.8
73.02946	0.7
75.00903	1.3
78.95979	0.5
83.01412	1.5
83.04588	0.6
83.05043	0.5
85.02940	5.1
87.00916	1.2
89.02470	1.0
93.03468	1.1
95.01408	1.1
96.96059	2.6
97.02995	0.9
99.00909	2.0
101.02454	1.0
107.01391	3.8
109.06640	0.8
110.57318	0.5
111.04542	0.8
113.02447	6.9
115.00389	0.9
119.04981	0.7
125.02466	1.8
129.01973	0.7
131.59616	0.6
133.02995	1.0
136.05324	2.2
137.02467	0.6
148.05310	0.6
149.02461	1.8
149.06143	1.0
151.00386	8.3
155.03549	0.7
158.47803	0.5
161.04524	0.6
163.03932	0.8
165.09239	1.5
171.10307	1.1
173.04509	3.0
174.03227	1.1
175.02544	1.9
178.02663	0.7
185.06154	0.5
191.05649	6.3
207.10281	1.7
209.11816	4.6
211.13370	1.0
212.04709	1.0
216.04359	0.6
225.11305	3.4
227.03467	0.7
227.12981	0.9
240.04288	0.9
255.03122	0.6
255.13905	1.0
256.03647	3.1
270.05307	2.4
282.05167	0.5
283.02499	3.8
284.03229	15.1
285.03857	1.9
296.06848	0.6
297.04028	1.5
297.15073	2.1
298.04813	6.8
309.04056	1.5
323.05569	4.5
323.09546	1.1
324.06369	5.7
326.04257	1.6
330.03882	1.4
337.07169	6.0
338.07770	0.8
339.16098	1.0
343.15390	0.6
357.17044	1.7
369.13791	0.6
381.17004	2.3
399.18219	2.0
409.16669	0.6
423.18265	0.8
447.31177	0.9
449.10059	0.4
449.15900	12.0
450.16495	1.2
457.28006	0.7
459.14072	0.8
461.20123	0.6
467.17090	36.5
468.17398	4.7
477.15497	3.7
495.16583	100.0
496.16867	11.6
509.18042	0.7
509.30667	0.7
537.17645	0.9
567.18762	0.8
580.99976	0.5
635.28571	0.8
671.19806	64.5
671.36450	6.9
672.20111	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	667.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03418	0.8
59.01375	15.4
61.98819	0.6
69.03448	1.0
70.78275	0.8
71.01378	9.3
72.99326	2.1
73.02938	3.5
75.46928	0.3
78.37232	0.3
81.03429	0.5
83.01393	1.9
85.02951	3.8
87.00859	2.1
88.98778	1.0
89.02445	2.2
89.02936	0.4
93.03462	0.6
95.01374	1.1
96.96004	1.4
97.02940	1.2
99.00883	3.7
101.02444	4.9
111.00848	1.1
112.01654	0.6
113.02451	3.1
119.03510	0.3
121.76451	0.3
124.01669	0.6
125.02457	2.1
141.01906	0.4
141.12865	0.4
143.03535	0.6
145.02904	0.5
152.07190	0.4
173.04538	1.0
191.05527	1.6
209.11855	0.9
269.21167	1.8
283.02576	0.4
287.22250	22.2
288.22461	1.7
297.28033	0.4
299.22168	0.4
301.23898	0.9
329.23105	0.6
397.13409	0.9
401.25479	0.4
415.14792	0.4
431.26443	11.4
432.26907	0.8
449.27521	29.3
450.27863	3.0
491.28546	3.7
563.30798	0.8
581.31641	5.5
582.32111	0.8
607.36884	1.0
623.32739	100.0
624.33069	16.1
624.43439	0.7
625.37836	0.6
631.34991	0.4
667.39111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03448	0.8
58.00591	0.4
59.01380	14.1
61.98832	1.4
64.69755	0.4
69.03450	1.0
70.30668	1.1
71.01383	10.4
72.99322	2.7
73.01783	0.4
73.02947	4.3
81.03494	0.4
83.01378	1.9
85.02957	3.6
87.00872	1.7
89.02449	2.3
95.01381	0.7
96.96024	2.3
97.02956	0.9
99.00883	3.7
101.02444	5.2
111.00883	0.5
112.01651	0.5
113.02466	2.7
124.01661	0.6
125.02482	2.7
127.11248	0.5
137.02464	0.4
143.03508	0.4
161.04590	0.3
173.04536	1.1
191.05614	1.6
209.11792	0.5
241.21722	0.4
251.26215	0.4
269.21265	1.4
287.22278	18.0
288.22635	1.1
299.22263	0.6
301.23865	0.5
329.23141	0.6
397.13422	0.8
431.26514	9.6
432.26825	1.5
449.27554	28.9
450.27945	3.6
453.66354	0.4
473.27249	0.4
491.28604	3.4
494.54422	0.4
528.42267	0.4
563.30823	1.7
577.25909	0.4
581.31726	5.9
582.31946	0.8
596.02777	0.3
605.31824	0.5
607.36841	0.8
623.32819	100.0
624.33124	16.0
667.17047	0.6
667.39227	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
57.03435	3.5
58.00587	1.8
59.01382	72.2
61.98830	1.9
67.01884	1.9
71.01386	55.0
72.01730	1.4
72.99303	2.4
73.02949	9.4
75.00854	2.1
79.95737	1.8
83.01375	7.0
83.52155	1.4
85.02946	28.2
87.00877	5.7
88.98795	1.9
89.02443	25.4
91.51231	1.1
93.03463	10.9
93.75772	1.2
95.01394	5.2
96.96013	48.0
97.02940	2.8
99.00892	5.5
101.02449	34.2
109.85263	1.2
111.00848	2.2
111.04507	3.4
113.02452	26.3
119.03518	7.8
119.05025	1.6
125.02425	4.6
127.04054	1.7
129.01950	2.7
135.04514	4.6
137.02434	2.7
143.03471	4.4
151.03943	1.6
153.01984	1.8
155.03493	2.3
159.02919	2.0
161.04559	7.3
173.04543	21.3
179.03496	1.6
179.05608	1.8
180.06721	3.6
181.05157	2.4
191.05634	15.3
201.11494	2.4
223.15602	1.6
269.04553	13.7
270.04755	4.0
381.02942	1.4
387.14410	1.5
390.50128	1.3
399.23764	6.6
404.04541	1.3
417.24924	7.8
454.25183	1.3
491.28708	7.7
561.29163	100.0
562.29480	15.0
579.30200	69.3
580.30280	7.4
586.23224	3.9
604.33405	1.8
605.33820	4.3
621.31256	22.0
622.32251	4.4
623.34967	2.2
665.35266	12.9
666.35327	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	667.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21504	0.1
59.01374	1.4
61.98813	0.3
65.53583	0.1
71.01376	0.5
71.56374	0.2
78.95921	0.1
79.95733	3.0
83.23563	0.1
88.98796	0.3
89.02497	0.1
93.03439	0.2
96.96008	100.0
97.95949	0.3
98.95615	0.3
101.02458	0.2
112.73711	0.1
113.02413	0.2
114.93397	0.3
173.04413	0.3
179.80063	0.1
191.05571	0.3
192.38876	0.1
225.01454	0.1
239.69308	0.1
396.83719	0.2
429.15613	0.1
465.29108	0.2
481.96436	0.1
563.25647	0.3
581.26886	0.2
581.35370	0.2
652.53259	0.1
696.70374	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78125	1.1
57.03442	3.1
58.00580	3.3
59.01381	100.0
60.39148	1.1
60.99294	1.4
61.98822	4.8
64.21715	1.3
67.01893	2.6
71.01385	69.4
71.55477	1.8
71.72402	1.1
72.99308	7.0
73.02950	10.0
75.00861	2.9
78.95885	1.7
81.03469	1.4
83.01391	6.0
83.05032	2.3
85.02956	25.7
87.00877	7.5
88.98808	3.5
89.02445	53.7
93.03460	16.0
95.01375	4.8
96.96011	18.7
97.02937	2.3
99.00875	3.9
101.02444	37.6
103.75595	1.4
109.02958	1.7
111.04492	1.9
113.02451	38.8
118.28026	1.2
119.03518	16.9
119.04997	2.8
125.02419	4.5
131.03500	3.6
135.04506	4.5
137.02448	3.2
141.01755	1.4
143.03485	5.2
145.02867	1.4
155.03511	2.8
161.04588	9.2
163.04054	1.4
173.04547	28.2
173.06027	1.8
179.03477	1.4
179.05583	8.2
180.06633	1.9
182.54512	1.2
191.05620	20.1
201.11356	2.8
205.90265	1.3
209.11794	2.6
227.12688	1.3
245.70253	1.2
253.09227	1.2
329.23322	2.8
358.22137	2.0
367.82495	1.7
399.23663	2.9
417.24942	3.4
439.40112	1.7
491.28522	9.8
500.74612	1.1
510.38538	1.3
561.29175	69.8
562.29456	10.0
572.52881	1.4
579.30225	57.2
579.39398	3.0
580.30389	7.3
586.22693	1.7
606.35858	1.3
621.31378	20.6
622.31006	2.5
633.15979	3.8
665.39996	51.1
666.40826	7.6
691.51709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23799	1.3
58.69895	1.3
69.40920	11.4
78.95899	24.5
83.05019	6.9
98.20776	1.5
98.70029	1.6
110.98515	18.0
122.97588	2.2
143.14120	1.4
160.66667	1.3
163.11259	6.4
165.12857	3.2
167.01115	11.0
185.02173	4.1
209.11813	100.0
210.12128	4.7
227.12897	9.3
253.21765	20.6
254.21912	2.2
255.23305	2.8
278.43918	1.4
395.14713	14.3
396.15271	1.8
422.81198	1.4
427.17337	89.1
428.17819	6.6
663.38910	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	665.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.0
61.98793	1.4
63.93098	1.5
67.01868	1.8
69.23470	1.6
69.61633	8.8
71.01385	8.6
73.02946	1.5
85.02963	7.5
85.13393	1.8
87.00846	2.3
89.02427	5.7
90.79980	1.5
93.03456	5.7
96.96008	5.5
101.02441	5.4
108.02155	1.7
109.02974	1.5
111.04535	3.5
113.02429	5.0
135.04532	5.2
137.02432	6.8
151.00401	14.3
151.04063	1.5
152.01111	3.5
152.04712	3.3
161.02452	2.7
166.02711	48.7
167.03430	2.1
173.04570	13.3
177.01910	1.9
179.03529	3.0
181.05045	58.6
182.05388	2.5
183.13914	3.2
189.12114	1.6
189.91609	1.7
191.03699	2.4
191.05574	24.0
201.11447	3.0
205.04945	1.7
211.13409	3.0
229.14458	9.8
230.14766	5.5
251.12463	2.5
315.14368	1.7
387.10745	9.1
402.13144	5.1
417.15527	100.0
418.15851	9.5
459.43753	1.6
491.28555	6.5
496.42200	1.7
579.29932	2.0
665.20007	3.3
665.34473	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	663.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03437	1.1
58.00605	2.2
59.01382	56.0
60.01733	0.5
61.41965	0.5
61.98833	2.4
67.01877	0.6
69.03438	0.5
71.01382	35.0
71.56174	0.6
72.99305	3.9
73.02941	1.6
75.00838	0.5
79.95733	0.7
83.01390	2.1
85.02953	8.8
87.00873	1.4
89.02448	33.4
93.03465	1.3
95.01382	2.7
96.96017	20.7
98.95589	2.6
98.96410	0.5
99.00875	1.1
101.02451	20.3
102.05575	0.8
111.04600	0.6
113.02457	14.8
115.92091	0.6
116.97253	1.3
119.03514	12.6
119.04928	0.6
128.03546	1.3
131.03514	1.1
131.44450	0.5
135.04649	0.6
143.03508	2.0
157.06882	0.5
161.04561	1.8
173.04573	3.5
179.05609	4.7
191.05630	3.2
241.10808	0.5
273.75415	0.5
327.25339	0.6
333.07813	0.6
519.32495	0.7
534.33051	0.5
543.69287	0.5
619.29785	1.9
648.00641	0.4
663.37543	100.0
664.37946	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	663.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30609	0.3
55.01878	0.8
57.03437	0.8
58.00597	2.3
59.01380	49.0
61.98828	1.2
64.50933	0.3
70.30456	1.4
71.01385	28.8
72.99306	3.1
73.02939	1.5
83.01385	1.6
85.02950	6.3
87.00874	1.3
89.02444	28.6
95.01417	2.3
96.96010	4.0
98.95601	1.0
99.00922	0.5
101.02444	16.7
113.02453	10.1
113.03250	0.5
119.03507	12.1
125.02408	0.5
131.03514	0.8
143.03477	1.3
149.06285	0.4
161.04541	1.6
173.04500	0.7
179.05605	4.4
191.05583	1.5
194.92854	0.4
445.25146	0.5
663.37500	100.0
664.37860	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	663.3749
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
50.29387	0.4
54.32766	0.3
55.01876	0.6
57.03442	1.2
58.00599	2.4
59.01379	53.8
60.01707	0.4
61.98803	0.4
70.04398	1.7
71.01382	29.6
72.99312	3.0
73.02947	1.1
82.24486	0.4
83.01411	1.3
85.02947	6.6
87.00877	1.3
89.02442	29.8
90.02801	0.5
93.03516	0.6
95.01397	2.6
96.96010	6.7
98.20654	0.3
98.95583	2.7
99.00894	0.7
101.02444	17.6
111.91888	0.4
113.02452	11.8
119.03507	12.8
119.04339	0.8
119.04958	0.5
125.02445	0.4
131.03523	1.4
135.04555	0.4
143.03487	1.9
149.04556	0.9
151.00372	1.3
161.04570	1.5
161.12959	0.4
173.04607	0.8
179.05614	3.5
191.05605	1.2
209.11867	0.4
229.45821	0.4
242.61095	0.4
246.13358	0.4
270.93289	0.4
271.06125	4.5
272.06442	0.5
561.29144	0.4
663.37476	100.0
664.37805	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	663.375
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
53.46411	0.2
55.01894	0.5
57.03455	0.8
57.74503	0.2
58.00588	2.4
59.01380	50.6
61.98835	0.9
70.84086	0.6
71.01382	32.9
71.44160	0.2
72.01729	0.3
72.99303	3.3
73.02952	0.9
83.01395	1.7
85.02951	6.8
87.00889	1.5
89.02446	28.8
90.02813	0.3
93.03500	0.4
95.01388	2.5
96.96011	3.2
98.95612	0.8
99.00861	0.4
100.79057	0.3
101.02444	18.6
113.02446	11.5
113.03254	0.3
119.03504	12.5
120.03906	0.3
125.02467	0.3
131.03528	1.0
143.03503	1.9
149.04527	1.0
161.04596	1.3
171.10204	0.3
173.04561	0.7
179.05629	3.9
191.05627	1.1
209.11809	0.3
210.30190	0.2
382.42993	0.3
468.47809	0.3
515.61920	0.3
663.37488	100.0
664.37793	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	663.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
56.58767	0.3
57.03445	0.8
58.00598	2.7
59.01378	54.1
60.01720	0.4
69.32304	2.9
71.01379	32.7
72.99306	2.8
73.02960	0.9
83.01393	1.4
85.02944	7.0
86.12567	0.4
87.00882	1.0
89.02443	31.7
90.02816	0.5
93.03468	1.2
95.01395	2.3
96.96011	5.1
99.00860	0.4
101.02441	16.5
102.02769	0.7
108.54482	0.5
113.02450	13.0
116.67247	0.4
119.03503	13.7
119.04907	0.7
131.03508	1.1
143.03487	1.8
149.04588	0.6
155.03690	0.3
161.04585	1.2
163.04019	1.0
173.04483	1.9
179.05594	5.0
191.05592	1.6
236.45004	0.4
251.62032	0.4
294.92493	0.4
330.72296	0.3
489.27200	0.4
663.37494	100.0
664.37793	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	663.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03442	2.2
57.49877	1.0
58.00587	1.9
58.43893	1.1
59.01378	100.0
59.78244	1.1
60.01731	1.4
61.98820	1.3
67.01883	1.2
69.03429	1.1
70.19722	1.1
70.20065	3.2
71.01378	67.1
72.99313	4.9
73.02549	1.8
73.02943	23.6
75.00864	1.1
81.03475	1.1
83.01385	8.9
85.02947	20.1
86.00072	0.9
87.00871	6.3
89.02441	50.3
93.03461	8.9
95.01379	4.8
96.96009	8.2
97.02916	1.8
99.00869	2.3
101.02443	42.9
102.02753	1.1
111.04507	2.1
113.02447	44.0
119.03503	21.8
119.04984	1.3
125.02437	2.4
131.03482	4.8
135.04459	1.1
137.02432	2.1
143.03499	8.4
145.08694	3.2
148.00000	0.9
149.04539	2.9
152.07166	1.3
155.03455	1.9
161.04550	14.6
162.04810	1.1
166.14607	1.3
169.15598	1.1
173.04532	18.8
174.04837	1.3
179.05602	16.4
191.05632	6.3
198.88008	1.1
201.11264	3.6
217.15900	1.3
221.06596	5.6
237.70937	1.2
286.80133	1.1
297.31506	1.1
319.12726	1.2
327.21371	1.2
489.27127	7.7
559.27557	32.0
560.27972	5.5
577.28601	43.3
578.28864	5.6
619.29950	8.3
620.29309	1.4
637.83942	1.4
663.22943	2.0
663.32294	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	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76476	1.1
55.01875	1.5
56.70085	1.1
57.03434	1.1
57.92058	1.1
58.00593	2.1
59.01378	49.9
61.98838	2.8
65.76739	1.1
70.93297	2.7
71.01379	48.4
72.99301	3.1
73.02943	1.7
75.00883	1.1
78.95901	60.9
80.96519	9.4
82.96106	2.0
83.01393	4.9
85.02961	8.0
87.00877	12.9
89.02442	52.5
94.98051	2.0
95.01366	2.4
96.96012	1.5
96.96986	4.6
97.03012	1.3
99.00910	1.7
101.02433	23.7
113.02448	25.0
119.03498	18.9
125.02478	1.9
131.03493	3.6
141.01888	1.2
143.03488	8.8
149.04546	1.7
152.99585	36.7
161.04521	10.5
171.00632	24.1
179.05605	19.6
204.86789	1.1
225.00758	1.6
273.22263	1.1
277.21701	100.0
278.22104	8.4
279.23352	3.5
291.23248	4.7
319.22723	4.2
323.09781	34.3
324.10168	2.0
340.62881	1.3
341.10852	65.7
342.11218	3.0
353.36246	1.2
433.23584	8.5
436.29379	1.3
436.71457	1.2
577.26807	13.6
579.27148	15.1
593.21747	1.4
601.32306	18.2
602.32422	2.9
661.27374	15.5
662.27228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01109	0.6
59.01377	3.0
59.72902	0.6
60.99315	0.6
61.98816	1.9
63.54874	0.5
66.34069	0.5
67.01894	3.4
67.11516	0.6
69.03439	0.6
70.70132	1.4
71.01384	3.1
73.02962	1.4
79.95750	0.6
80.96530	1.2
81.03455	0.6
82.95415	1.3
83.05016	2.1
85.02945	4.5
87.00872	1.7
89.03988	0.7
93.03459	20.1
95.05011	1.1
96.96030	2.1
99.00854	0.8
99.04557	0.8
99.92577	1.8
105.03456	4.5
106.04271	0.8
107.05034	0.9
108.02166	0.6
109.02981	2.3
111.04520	6.5
111.08207	0.7
113.02478	0.6
116.92861	24.6
116.97259	5.2
117.01929	1.7
117.92865	1.3
119.05084	0.8
121.02971	1.2
123.04565	1.4
124.01702	0.9
125.02446	0.9
125.09718	0.7
127.04005	1.7
132.02155	1.3
133.02962	31.2
134.03767	16.2
135.04526	100.0
136.04848	3.2
137.02452	8.7
139.04024	2.0
146.76138	0.5
149.02481	0.7
150.03256	1.6
151.04019	2.3
155.03505	6.9
159.04491	0.9
160.01675	1.0
161.02434	7.7
163.04045	1.1
169.12286	0.6
171.10252	0.6
173.04544	50.1
174.04887	1.5
177.00484	1.1
177.01921	10.6
178.02718	13.5
179.03497	38.8
180.04057	0.7
187.03983	1.0
187.65707	0.6
191.05602	45.2
192.05975	1.1
199.09647	1.0
200.10417	0.7
247.20700	0.9
269.11960	0.7
287.13040	1.7
291.19595	1.4
307.19162	1.8
308.09073	3.2
309.20676	15.9
310.21057	1.2
351.07233	5.2
352.07956	7.3
353.08694	2.4
359.15152	1.2
400.15146	0.9
407.22034	0.8
425.23331	3.2
443.24347	32.2
444.24670	3.8
451.21466	1.2
469.22284	11.4
470.22745	1.3
487.23322	25.2
488.23874	3.1
557.06329	0.6
651.84381	0.6
661.28613	40.0
662.29034	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	661.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44507	0.9
61.98830	5.9
62.67208	0.9
62.87971	0.9
71.56715	1.4
72.57399	1.1
75.71350	0.9
78.95901	100.0
79.95744	1.6
80.96513	9.9
92.60265	1.1
94.98067	2.8
96.96941	7.2
116.92837	1.1
122.97561	1.1
130.20799	1.0
139.50256	0.9
150.98015	2.1
152.99580	60.6
164.98640	1.3
171.00627	41.8
225.00659	3.0
227.03241	2.4
236.63690	1.0
245.04266	3.0
279.23245	5.8
280.23541	1.2
306.99866	1.4
364.98007	1.1
391.98260	1.0
433.23560	15.8
434.23727	1.8
434.72421	1.0
439.50574	1.2
481.25616	2.8
492.69614	1.1
507.27222	1.1
579.28345	21.5
580.28326	2.4
640.65674	1.1
661.27472	27.4
662.27881	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	661.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01382	1.3
60.99301	0.4
62.04685	0.2
65.47770	0.2
67.01891	4.2
69.03459	0.7
69.59798	1.1
71.01379	2.8
73.02946	0.2
78.95903	0.9
81.03461	0.5
83.05016	0.9
85.02966	0.5
87.00890	0.4
93.03460	21.6
94.03794	0.7
96.96010	0.9
96.96918	0.2
98.19893	0.3
108.88692	0.2
109.02977	0.6
111.00889	0.7
111.04523	4.2
111.77039	0.2
113.02464	0.4
119.05030	9.7
120.05367	0.2
124.19708	0.2
127.03992	0.4
128.52248	0.2
135.04602	0.2
137.02441	3.8
139.09520	0.2
155.03503	4.2
163.04015	14.7
164.04320	0.5
171.00641	0.2
173.04546	100.0
174.04898	3.0
177.73492	0.2
191.05568	1.7
221.16193	0.2
322.64749	0.2
336.20782	0.2
337.09277	37.1
338.09631	3.3
338.61697	0.2
373.24789	0.2
416.86456	0.2
493.23480	0.2
661.30560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81470	0.4
59.01367	1.2
61.98821	1.3
63.96224	1.0
70.02768	0.7
70.03159	0.9
71.01386	5.2
73.02945	1.7
78.95906	43.3
78.98589	4.4
79.95734	7.5
80.96519	46.7
81.03441	0.7
85.02937	1.7
87.00882	2.3
94.98087	12.2
96.95996	1.2
96.96972	3.8
97.02952	1.1
101.02429	1.4
106.98096	2.1
120.94472	0.8
122.97594	4.5
125.02455	2.4
134.97595	3.5
135.01428	0.5
136.64061	0.4
136.99104	1.0
148.99135	3.7
150.98056	0.5
152.98589	3.7
152.99622	29.0
161.02077	0.4
162.95526	0.7
164.98633	8.2
171.00635	19.1
172.00966	0.5
182.99696	1.9
206.99675	2.6
225.00751	17.0
225.49939	0.4
227.03250	0.8
234.41974	0.5
243.01788	1.5
265.64587	0.4
277.21732	4.7
278.22043	0.5
299.04401	6.7
381.03568	1.3
431.22028	6.1
432.22287	0.7
567.21265	0.6
577.26855	100.0
578.27142	12.7
599.23975	1.7
659.26074	10.3
660.26367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08253	0.5
56.78771	0.5
59.01376	0.7
61.98816	1.7
63.81521	0.5
63.96221	1.0
71.01381	5.9
71.56522	0.9
73.02937	1.9
78.95427	0.7
78.95900	26.7
78.98593	4.3
79.95726	6.7
80.96513	48.5
85.02943	1.9
87.00863	1.7
94.98080	10.8
95.01349	0.5
96.96017	1.2
96.96951	2.1
97.02953	0.9
101.02425	2.6
106.98067	2.4
113.08543	0.5
122.97575	4.7
125.02435	2.7
127.03948	0.9
134.97572	3.0
135.04446	0.6
136.99095	1.2
148.99118	4.2
152.98557	3.8
152.99571	16.3
155.14502	0.5
162.95531	1.5
164.98601	9.6
171.00598	11.2
182.99644	1.5
206.99687	2.9
225.00706	16.9
243.01784	1.4
260.75894	0.7
277.21713	3.1
299.04309	6.3
381.03366	1.4
431.21991	5.1
465.16837	0.5
534.41364	0.5
577.26819	100.0
578.27032	12.7
599.23956	1.2
659.26105	6.0
660.26257	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	657.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69029	0.6
57.03460	0.7
59.01382	5.0
61.98829	6.5
67.01880	0.8
71.01370	3.5
71.56218	1.2
79.49439	0.7
79.95755	0.9
81.02422	0.6
81.03444	0.8
83.01389	0.9
85.02940	2.7
87.00911	0.8
93.03436	2.4
96.96008	32.2
97.02954	0.7
98.95604	1.7
99.04510	0.8
101.02438	1.2
106.69794	0.6
108.02144	1.4
111.04486	1.2
113.02421	2.0
121.06529	1.1
122.06104	2.4
125.02437	1.8
134.03688	0.8
135.04472	2.1
136.05295	25.8
137.02434	1.3
137.05853	0.7
148.05336	0.6
149.06058	7.7
150.06828	1.9
151.00323	0.8
152.01164	1.1
152.07162	2.3
155.03532	0.7
155.10750	0.7
161.02382	0.7
161.04573	0.6
162.06850	2.0
163.07492	1.0
164.08398	2.8
165.09210	13.4
167.03526	3.6
171.10205	0.9
173.04568	4.5
174.04579	0.6
183.13930	0.9
191.05592	3.8
197.04500	1.6
209.11839	7.2
209.70822	0.6
211.13396	9.3
212.13774	0.8
227.12851	1.4
241.10045	0.6
242.10602	0.8
253.09161	0.8
255.03029	1.0
257.10321	0.6
257.12949	4.4
269.04401	1.4
284.03278	1.4
285.04065	3.0
297.03995	2.6
298.04764	5.0
298.65726	0.8
301.12036	4.8
302.12341	0.7
313.03418	3.7
326.04257	4.5
327.04776	0.7
329.23340	5.1
355.12860	0.7
356.05371	1.3
369.13501	1.1
431.31345	0.7
434.30371	2.4
446.08542	2.7
448.31888	3.6
449.32678	13.1
450.33130	1.0
454.25098	0.8
476.31601	1.8
477.32153	2.4
494.32373	2.9
495.33224	21.5
496.33490	3.6
509.18518	1.2
510.18558	0.7
537.17468	8.5
538.18073	1.1
567.18738	6.2
568.18964	0.9
581.24219	0.9
583.22455	1.5
639.33411	0.8
657.22510	7.5
657.38525	100.0
658.21783	1.8
658.39069	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
59.01376	12.6
61.98537	1.6
61.98831	26.0
61.99139	1.2
69.41041	5.7
69.41474	4.4
71.01389	9.0
78.95886	2.7
83.05012	5.1
85.02938	3.2
85.06566	2.4
89.02415	5.0
93.03432	4.4
96.96014	27.8
97.06544	2.0
101.02438	6.3
111.04533	2.1
111.08148	3.0
113.02425	3.6
123.08166	2.1
125.09717	8.6
126.20747	1.4
133.02974	1.6
135.04474	1.4
135.08165	1.6
137.02367	1.5
152.99568	1.4
161.04535	2.1
163.11227	1.8
171.10265	14.6
173.04558	8.3
183.13901	1.8
189.16438	2.3
191.05647	5.2
205.15985	2.8
209.11841	10.2
211.13370	12.5
215.14397	2.6
221.15315	2.1
228.07755	1.8
231.13943	2.3
233.15421	29.3
234.15865	2.1
249.14915	6.5
251.16310	1.4
253.09331	3.0
255.03102	1.9
255.12405	2.4
283.02429	1.5
284.03275	2.8
285.04013	7.4
297.04001	3.3
298.04703	10.5
313.03485	19.9
326.04147	3.7
327.05185	1.9
331.26355	2.8
341.24683	2.3
356.05368	2.7
362.10342	1.3
367.22586	2.0
385.00314	1.6
385.23813	9.8
386.23822	1.6
403.24847	16.5
404.25244	2.0
421.25906	9.6
445.07697	1.6
446.08545	9.9
447.09088	3.3
537.17322	3.6
567.18542	2.0
639.33862	33.7
640.34277	5.1
657.24249	4.1
657.34839	100.0
658.24829	2.3
658.35132	17.4
686.08313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
58.00581	0.6
59.01376	16.9
61.98819	1.9
66.81846	0.5
69.03436	0.6
70.22619	0.5
71.01003	1.0
71.01379	13.9
71.55600	0.8
72.99311	1.2
73.02944	2.3
80.02678	1.3
81.03457	2.1
83.01377	1.4
83.05022	6.1
84.02135	1.4
85.02937	3.9
87.00871	4.6
89.02440	13.1
91.98008	0.6
93.03438	1.6
95.01367	0.9
95.05012	1.1
96.96025	3.3
97.02943	1.4
99.00866	1.3
101.02429	9.3
111.04485	0.7
113.02441	5.3
119.03491	3.1
125.02454	3.5
125.06066	0.6
131.03413	0.5
135.04495	1.1
135.08142	1.0
143.03522	1.8
149.04495	0.7
161.04555	2.8
163.11320	4.5
165.12843	3.1
173.04562	1.8
179.03488	0.7
179.05566	3.3
191.05620	6.5
191.10791	0.9
192.05904	1.1
209.11812	100.0
210.12119	5.6
221.06587	0.7
227.12859	19.9
228.13231	1.0
235.08185	5.2
251.12599	0.5
253.09290	2.0
259.15485	1.0
263.07648	0.5
287.07767	1.3
305.08682	2.3
323.09882	0.8
335.16904	0.6
385.01022	0.5
397.13458	47.2
398.13831	3.6
415.14560	22.4
416.14832	1.3
453.90152	0.6
607.25769	2.5
657.25049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.4
59.01377	26.2
61.98826	22.8
65.00331	4.1
67.01878	4.3
67.26595	2.6
71.01364	20.7
72.99358	5.3
79.95723	5.9
81.03449	8.5
83.01388	6.2
85.02949	8.7
87.00876	6.0
89.02441	11.9
93.03445	13.2
95.01402	3.4
95.05013	4.9
96.96008	61.6
97.02944	6.4
98.19878	9.2
99.04512	6.8
101.02436	16.3
107.01321	3.0
109.02967	4.7
111.04507	6.2
113.02430	9.5
119.03481	5.0
121.02943	7.0
123.04520	4.6
125.02436	38.3
127.03947	2.8
133.02930	5.9
135.04494	4.2
137.02394	9.7
151.00395	11.7
152.99600	3.2
161.04485	3.9
167.03488	70.6
171.10310	4.0
173.04596	25.1
179.03439	5.1
191.05630	24.0
193.01405	11.1
195.13805	5.0
197.04527	21.4
205.12329	6.8
209.11742	5.2
211.13383	5.5
219.15627	2.9
223.02376	3.7
223.13368	60.6
224.13736	3.3
229.14479	4.4
235.08162	3.9
287.07672	3.7
297.15033	3.3
298.04767	14.2
315.15985	5.2
343.15622	4.5
351.04938	4.2
367.15363	7.0
369.13437	12.8
397.13428	58.2
398.13281	6.0
415.14539	19.9
493.15036	7.5
495.16492	11.9
519.16577	5.7
537.17609	97.4
538.17706	13.3
549.18256	3.4
567.18781	43.2
568.19122	5.0
601.89081	3.3
621.18304	5.0
621.27496	51.5
622.27856	6.0
657.24780	100.0
658.23419	15.3
658.34912	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	657.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72874	1.3
57.03434	1.6
59.01390	6.8
59.10991	1.4
59.74076	1.2
61.98832	4.5
65.00340	2.5
70.82665	1.9
70.83009	3.1
71.01378	5.3
78.95905	5.8
80.41894	1.3
81.03470	5.7
83.01375	3.6
85.02940	2.3
87.00838	1.4
89.02449	2.6
93.03463	5.5
95.05053	2.4
96.96016	19.8
96.96981	2.6
97.02956	4.2
97.06561	2.3
99.04539	3.4
100.79450	1.7
101.02439	2.5
105.91147	1.6
107.01401	3.4
109.02963	1.3
113.02449	2.3
121.02995	5.0
123.00900	1.6
123.04543	3.3
125.02451	21.5
133.02991	2.5
135.04524	2.0
137.02463	7.8
149.02460	2.9
151.00345	5.3
152.99583	4.9
161.02432	4.1
161.04657	1.5
163.00378	4.2
165.01944	5.0
167.03502	35.4
171.10318	1.9
172.05318	2.1
173.04564	6.1
173.05942	1.5
174.03232	1.8
176.01219	2.0
177.01891	4.0
179.03511	3.3
180.93446	1.5
186.06810	2.2
191.03633	1.6
191.05548	8.4
193.01430	13.1
193.12404	1.5
197.04622	7.3
202.06345	1.9
209.11816	1.4
211.07909	1.4
223.02492	4.0
223.13350	12.7
225.14900	1.5
227.03532	2.1
240.04381	2.3
241.01224	3.2
255.03082	2.1
264.04373	1.5
284.03204	3.0
285.04108	2.0
287.07819	2.9
297.04050	3.7
297.14993	1.9
298.04886	12.6
313.03870	1.6
315.15939	2.2
319.05991	2.0
321.04099	2.3
322.04794	3.8
323.05563	2.6
325.03540	2.2
325.14313	5.0
326.04309	3.1
336.06555	2.4
341.22964	2.8
343.15384	3.7
349.14526	2.1
351.05032	6.3
351.12332	2.8
356.04962	2.2
367.15479	5.1
368.05219	1.7
369.13382	9.8
381.06134	2.8
386.21097	1.7
397.13379	17.3
415.14551	5.9
475.13983	3.5
493.15002	9.4
494.15375	1.7
495.16489	5.9
519.16486	4.6
537.17615	100.0
538.17957	13.3
549.17596	1.7
567.18713	51.5
568.19049	6.8
579.18683	5.6
603.18744	2.2
619.15796	1.5
621.20166	2.8
621.28052	11.5
657.21222	40.8
658.20862	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15719	1.0
57.03442	3.6
59.01086	0.8
59.01377	2.9
60.26149	0.9
61.98825	2.2
64.04279	0.9
65.00320	4.1
69.03459	1.3
70.29703	1.6
70.30093	1.8
71.01386	2.0
71.05039	1.4
78.16293	0.7
79.95729	0.7
81.03455	10.8
83.01395	3.8
83.05048	0.8
85.02966	1.3
89.02458	0.8
93.03446	4.1
95.05013	4.2
96.96008	17.7
97.02954	7.1
99.04517	8.1
101.02480	1.0
105.03430	0.9
107.01371	3.3
109.02934	2.0
111.04514	2.3
113.02423	1.3
121.02934	3.3
123.00896	1.4
123.04527	6.0
125.02440	40.8
126.02738	1.3
135.04527	2.4
136.05301	21.2
137.02454	8.5
139.04010	2.0
140.35904	0.9
146.03717	0.9
149.02428	3.4
149.06042	4.7
150.06850	2.0
151.00352	6.4
155.03490	1.7
161.02388	1.2
162.06946	1.0
163.00331	3.7
164.01102	1.4
164.08379	2.4
165.01956	4.6
165.09216	8.9
166.33797	0.8
167.03485	100.0
168.03804	3.0
172.05289	2.2
173.04474	2.4
174.03206	2.0
179.03481	3.5
186.06897	2.1
188.82294	0.8
191.05592	3.1
193.01419	8.5
196.05272	1.1
197.04538	34.0
199.07660	1.4
209.04451	2.0
209.11752	2.9
210.06830	1.2
211.13458	4.4
212.04770	3.8
223.02460	3.2
255.06581	0.8
257.13058	5.5
269.04257	1.0
271.17285	0.9
281.15332	1.7
284.03217	2.4
285.04175	4.1
287.07742	8.0
295.02542	1.0
297.03888	4.5
297.14923	9.9
298.04755	7.5
298.15439	0.9
299.05063	1.5
299.16458	1.4
301.11844	7.3
309.03918	2.2
313.03476	5.9
315.16058	6.3
323.05426	1.6
323.12775	0.9
325.03479	1.6
325.14410	3.5
326.04276	6.2
327.04971	1.6
329.23453	4.4
338.04236	2.1
341.13846	5.1
343.15482	11.2
349.14267	2.2
351.05099	1.2
356.05362	2.0
367.15262	5.1
369.13364	22.0
370.14005	2.0
382.03082	1.4
391.15497	2.4
431.31595	0.9
433.16742	1.2
434.30231	1.5
435.21564	0.9
445.07822	1.5
446.08405	4.0
449.32611	9.6
450.33597	1.0
476.31137	1.0
477.15500	2.3
477.31873	1.6
494.32581	3.2
495.16702	4.7
495.33228	17.6
496.33414	1.3
509.18246	3.2
519.16595	5.3
537.17578	53.0
538.17834	6.4
539.19391	1.8
549.17603	3.4
567.18616	21.7
568.18890	3.8
579.18817	2.3
605.72772	1.1
629.64746	0.8
639.20856	3.2
657.21783	32.5
657.38483	61.4
658.22369	4.7
658.38721	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	657.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36504	0.3
59.01379	0.6
59.39323	0.3
62.50203	0.3
66.29210	0.3
69.87440	1.2
69.87859	0.5
71.01385	1.7
73.02930	0.6
81.03465	0.3
85.02953	1.7
93.03462	0.5
95.01365	0.9
101.02444	0.9
103.45079	0.3
108.02168	44.3
109.02966	15.1
110.03255	0.4
113.02429	1.1
121.02951	0.7
123.00844	0.5
123.04507	1.1
151.03987	0.9
152.01143	43.8
153.01933	17.1
153.05557	0.9
154.02263	0.4
163.04002	1.0
165.01875	1.3
181.05081	0.4
195.03017	0.3
207.02917	0.3
225.04169	0.4
315.07190	100.0
316.07523	5.4
404.90335	0.3
439.18756	0.3
544.89996	0.3
545.86505	0.4
607.67578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51941	0.5
57.03445	2.6
59.01380	4.8
61.98819	4.1
65.00323	2.4
67.01894	0.7
68.99836	0.8
69.03455	1.3
69.20184	5.8
71.01402	1.7
71.05014	0.7
72.99278	0.6
79.01907	1.5
81.03454	11.0
83.01369	4.2
85.02938	1.4
89.02427	1.1
93.03455	4.1
95.01395	2.2
95.05004	4.5
96.96012	11.2
97.02960	4.7
98.19920	1.2
99.04513	8.6
99.82031	0.5
105.03462	0.9
107.01371	4.4
109.02936	1.8
111.04511	2.1
113.02443	1.2
118.77301	0.6
119.29753	0.5
121.02966	3.6
121.03754	0.5
123.00892	1.4
123.04527	5.3
125.02438	44.5
126.02731	1.0
133.02937	1.2
135.04524	1.3
137.02443	8.7
139.03983	2.7
149.02422	3.1
151.00342	5.5
151.04021	1.7
155.03535	1.7
161.02397	0.9
161.05928	0.7
163.00375	4.2
163.03996	0.7
164.01163	1.3
165.01918	5.2
167.03482	100.0
167.14415	0.6
168.03870	4.0
171.10214	0.8
172.05272	2.7
173.04532	2.9
174.03197	2.1
177.01910	0.8
179.03528	3.7
185.05998	1.2
186.06863	3.3
191.05591	2.6
193.01416	10.7
197.04536	35.2
198.04912	1.4
200.04706	0.9
205.01402	1.2
209.04466	1.7
209.11838	0.9
210.06770	0.6
211.03940	0.8
211.13403	1.3
212.04767	3.3
223.02446	4.1
225.05539	0.9
227.05661	0.8
240.04245	1.2
244.03809	0.9
255.02904	1.1
269.06662	2.6
281.15295	1.3
284.03137	0.9
285.03918	1.2
287.07678	9.1
297.04114	1.5
297.14920	9.6
298.04721	2.9
298.15244	1.0
309.04050	1.3
313.03516	1.2
315.15961	8.0
321.03970	1.4
322.04562	0.8
323.05545	2.0
323.12659	0.7
325.14435	3.1
326.04282	1.4
338.04156	1.7
339.15958	1.1
341.13956	4.0
342.14059	0.9
343.15421	10.6
344.15854	1.3
349.14291	2.1
351.04977	1.8
367.15436	5.8
368.05743	0.7
369.13397	18.3
370.13675	1.4
379.04553	0.8
382.03247	1.9
391.15411	1.7
393.05933	1.0
417.17300	0.8
433.16217	1.2
460.76523	0.7
483.13815	0.6
491.17273	1.2
495.15823	0.8
509.18073	2.8
519.16479	4.9
521.17773	0.7
537.17627	60.1
538.17853	8.4
539.19501	0.8
549.17548	3.4
550.17560	0.7
567.18665	24.6
568.19135	3.6
579.18762	2.0
597.20117	0.7
603.18909	0.8
621.19720	1.2
639.20746	3.3
657.21729	33.9
658.22040	5.9
658.34503	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	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.62997	0.7
60.01703	0.9
61.98833	2.9
71.01394	3.8
73.70007	0.6
78.95926	1.0
89.02457	2.4
95.01408	0.8
96.99316	6.1
97.02959	2.0
98.01597	0.6
98.19888	2.5
101.00924	1.5
101.02458	1.5
113.01002	1.4
117.00443	1.4
141.01712	71.3
142.02081	1.0
142.05132	1.5
152.99620	0.7
166.80785	0.7
173.03136	1.5
183.01520	0.7
185.87102	0.7
189.99191	0.7
201.02617	1.2
255.23282	4.5
256.23746	2.5
257.05243	1.9
257.24069	1.5
275.06183	11.5
276.06589	1.0
277.21765	3.8
278.68582	0.7
317.07358	2.7
335.08655	2.3
359.21744	1.6
391.19684	4.5
392.19818	0.8
397.13708	2.1
398.14017	2.3
399.14108	3.2
416.15231	1.0
417.15350	1.6
478.99106	0.8
535.27551	11.7
536.28412	2.1
594.99750	0.7
595.29913	5.2
596.29749	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	657.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45750	0.3
69.44067	1.6
71.01369	1.6
71.18670	0.3
73.02922	0.5
81.03428	0.4
85.02962	1.4
95.01389	1.1
98.19901	0.6
101.02446	0.9
108.02167	45.5
109.02968	15.2
110.03319	0.4
113.02422	0.8
121.02932	1.1
123.04494	0.5
133.02962	0.3
151.03966	1.2
152.01144	43.5
153.01936	17.7
154.02257	0.7
163.03999	1.1
165.01889	1.4
181.91722	0.3
185.71237	0.3
195.03101	0.3
315.07199	100.0
316.07477	5.0
318.36621	0.3
682.55243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03447	0.8
57.88964	0.2
58.00594	1.7
59.01383	40.4
60.01718	0.4
61.98829	0.5
67.01924	0.2
68.05454	0.2
68.99814	0.4
69.03453	1.9
69.33704	1.6
70.80267	0.2
71.01386	34.7
72.01703	0.3
72.99313	2.6
73.02950	6.0
75.00871	0.8
76.05820	0.2
78.95942	0.3
81.03454	1.6
83.01392	4.1
83.05048	0.3
85.02954	6.9
86.00114	0.3
87.00879	8.3
87.04492	0.3
89.02449	31.5
90.02767	0.4
91.04015	0.8
93.03470	0.3
95.01385	2.8
95.05025	0.2
97.02959	5.7
98.19955	0.5
99.00900	2.3
99.04546	0.5
101.02451	29.7
102.02777	0.5
103.00397	0.3
103.04022	0.3
109.02962	0.8
111.00907	0.5
111.04517	1.0
113.02455	14.3
114.02797	0.2
115.04027	0.7
119.03503	9.1
121.02972	0.8
123.00926	0.3
123.04544	0.2
124.01649	0.3
125.02451	11.6
126.02779	0.4
127.04013	0.5
129.01965	0.2
131.03519	1.8
133.05063	1.2
137.02412	0.3
139.04057	1.0
140.01154	0.2
141.01909	0.5
143.03497	6.1
149.04572	1.1
151.04109	0.2
152.99574	0.3
155.03574	0.3
157.05167	0.3
161.04562	6.8
167.03511	0.9
169.05093	0.6
179.05617	7.6
180.06038	0.2
181.05127	0.3
184.37804	0.2
184.55905	0.2
185.04536	0.6
199.06122	0.7
203.05580	0.4
217.07147	0.8
219.05161	0.3
221.06635	2.3
235.08229	13.8
236.08553	0.6
245.06706	0.9
248.98912	0.2
253.09300	3.7
254.09616	0.2
255.23296	97.1
256.23618	6.9
259.07855	0.3
263.07709	1.6
269.24838	0.5
277.09286	1.0
287.07672	3.4
288.07953	0.2
305.08777	4.2
323.09802	1.6
324.10349	0.3
361.11453	0.5
379.12381	0.9
397.13501	100.0
398.13861	7.2
415.14572	34.5
416.14948	2.5
653.37598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58414	0.3
55.93533	0.3
59.57768	0.3
62.96393	0.6
66.91853	0.3
69.73089	0.9
69.73476	0.9
78.95902	100.0
84.22269	0.3
85.33923	0.4
137.06046	0.4
149.00084	4.7
179.01224	0.6
181.36273	0.4
205.15894	2.8
255.23337	0.4
285.12598	4.6
286.13052	0.4
321.17252	2.0
353.51703	0.4
355.16824	2.4
385.17786	0.7
417.12039	0.7
447.13382	5.5
513.68481	0.4
617.43982	0.8
653.30078	60.2
654.30457	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	652.224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	12.0
59.01369	1.6
70.02967	4.3
71.01360	1.2
71.55662	0.7
72.00909	3.6
73.73901	0.5
75.41514	0.5
85.02970	0.8
91.05540	2.3
93.03449	0.9
96.96007	1.4
101.02435	1.1
108.62040	0.6
113.02470	1.2
124.81858	0.6
131.07153	1.1
147.03349	1.1
147.04529	19.3
162.09180	0.6
164.07161	55.0
165.07481	1.8
173.04521	1.9
177.01894	1.8
178.02328	0.7
181.17650	0.7
191.05643	3.3
206.08214	100.0
207.08511	4.5
270.09781	0.6
278.57285	0.7
291.07108	0.9
324.11722	0.7
360.23959	1.2
492.84113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25354	0.7
55.26551	0.7
57.03433	1.5
59.01379	5.9
63.02383	2.3
63.40447	0.6
65.00322	13.7
71.01372	2.9
73.02940	1.8
81.03467	0.9
83.01382	8.5
85.02937	1.5
88.98806	1.2
89.02429	0.9
91.38458	0.7
93.03457	5.6
96.95996	4.0
98.20653	1.7
99.00858	1.3
101.02423	1.9
107.01388	23.7
109.02975	0.7
109.19934	0.6
113.02457	1.7
113.26684	0.7
116.92896	0.7
117.03469	3.0
119.05029	40.9
120.05335	1.3
121.02950	2.5
125.01525	1.2
125.02435	21.8
125.09790	1.2
133.02951	0.8
133.06572	1.1
135.04462	1.3
136.01669	0.9
137.02448	0.9
139.04059	1.0
140.42441	0.7
143.04999	1.5
145.02956	20.8
145.08725	1.0
146.03259	0.8
146.09039	0.9
148.12825	0.7
149.02429	1.8
151.00363	95.5
152.00734	1.7
155.03476	1.0
161.06046	1.8
161.48047	0.7
163.03947	1.8
164.01134	1.1
165.01971	4.5
167.03485	1.1
169.01337	1.4
171.07039	0.7
173.04576	1.8
175.00316	2.4
177.01945	4.6
179.03467	0.9
185.06122	2.1
187.03983	2.7
187.09709	0.9
191.05597	3.0
193.01385	1.4
205.01379	0.8
225.05357	0.7
227.07109	3.3
235.02498	1.6
255.11296	0.8
257.11899	2.7
265.03482	0.8
269.04544	5.3
269.11856	1.2
270.04846	3.7
271.06119	46.5
272.06375	2.0
301.07452	0.7
309.15125	1.9
313.07181	2.0
325.05609	1.0
327.15939	4.3
332.11398	1.1
387.14374	0.9
403.09967	0.8
445.11371	3.3
461.12860	2.3
469.09750	1.6
487.10907	20.1
488.11407	1.6
489.21298	2.4
607.16632	100.0
608.17029	11.8
633.16144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03460	0.5
59.01376	6.9
69.34855	3.2
71.01379	12.0
72.99313	0.7
73.02950	5.0
75.00866	0.4
83.01393	1.8
83.01820	0.4
84.02176	0.6
85.02949	3.5
87.00874	0.8
89.02432	3.7
93.03452	1.4
95.01398	0.7
96.96012	1.6
97.02946	0.7
99.00880	15.8
101.02432	7.4
108.02165	1.5
109.02953	1.2
111.04533	0.5
113.02457	5.0
114.80021	0.4
119.05010	0.5
121.02964	3.2
122.03749	1.8
123.00850	0.5
123.04480	0.7
124.01696	0.4
125.02415	0.5
131.03497	1.4
134.03708	1.0
135.04524	0.6
136.01654	72.3
137.02325	2.9
137.32027	0.4
143.03468	1.9
145.06599	0.5
149.05984	0.6
151.04001	100.0
152.04324	3.1
154.02611	0.5
155.03532	0.4
159.04491	1.1
160.05292	1.4
161.02425	0.6
161.04552	2.8
162.03229	1.6
163.04034	1.2
173.04565	1.2
175.04008	1.5
175.07545	2.3
176.04793	1.5
177.05511	1.6
179.03465	0.9
187.04140	0.7
188.04802	0.6
189.05603	0.9
190.06352	0.7
191.05598	5.3
191.07155	2.3
203.07208	0.9
247.48839	0.4
260.68085	0.5
293.08783	2.3
294.09088	0.9
296.10376	0.4
311.12991	1.1
312.10046	0.7
324.10001	0.9
327.12390	5.5
327.16006	0.4
339.12320	4.8
342.11044	5.5
343.11765	2.3
357.13406	63.7
358.13754	4.8
519.18488	1.6
565.28717	0.5
621.21808	2.1
633.21851	5.3
634.22229	0.9
651.22913	62.7
652.23279	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	650.427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98698	0.5
61.98830	100.0
71.46749	0.8
78.95894	0.8
88.20926	0.5
92.31452	0.5
139.27635	0.5
235.13559	0.5
255.23351	1.3
307.65662	0.5
650.37415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3959
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01891	0.8
57.03434	1.3
58.00590	1.8
59.01378	42.8
59.60834	0.5
60.35476	0.4
61.98826	1.6
69.03450	0.5
69.38837	1.5
69.39264	1.7
71.01381	32.3
71.05020	0.7
72.01723	0.7
72.99311	2.8
73.02946	2.0
75.00849	0.5
75.21329	0.4
77.97388	0.4
78.95901	0.6
79.95726	0.5
82.83082	0.4
83.01395	1.6
84.95135	0.5
85.02949	7.5
87.00881	2.8
88.55654	0.5
88.98790	1.3
89.02441	25.3
93.03458	1.5
95.01382	2.4
96.96008	10.7
97.02925	0.7
97.06565	0.7
99.00873	1.3
100.49891	0.4
101.02442	17.3
110.59291	0.6
111.04562	0.8
113.02445	12.6
116.92836	0.5
119.03493	10.1
119.04953	0.7
125.02404	1.2
125.09711	0.8
127.07707	0.6
131.03490	0.9
133.02951	0.8
135.04562	0.7
143.03500	1.5
148.67139	0.4
149.04474	0.7
153.09213	0.6
155.10852	0.5
161.04588	1.6
163.04021	0.5
167.03490	0.5
171.10231	0.8
173.04510	3.2
174.04944	0.8
179.03441	0.5
179.04221	0.5
179.05595	4.1
185.11795	0.6
191.05589	4.3
192.05975	0.5
197.11928	1.0
199.73892	0.4
201.11227	0.9
207.10239	0.5
209.11795	5.4
218.29977	0.4
229.14479	0.5
245.19006	0.8
289.18042	2.1
289.23267	0.5
290.18433	0.4
291.19702	1.0
307.19131	5.3
309.20898	0.7
325.20288	5.8
331.18893	0.9
341.10797	0.9
366.98016	0.5
397.22495	1.4
427.23285	2.3
469.24255	0.7
487.25571	4.3
487.34155	5.8
488.34052	1.0
510.29529	0.5
622.07495	0.5
649.17603	2.2
649.30530	12.2
649.39642	100.0
650.16180	0.9
650.31049	1.4
650.39996	15.9
671.78839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3958
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
53.43108	0.5
55.01880	0.6
57.03448	1.0
58.00591	2.3
59.01382	48.3
60.01697	0.8
69.62222	0.5
70.93037	1.0
70.93383	0.5
71.01382	29.9
72.99316	3.0
73.02946	1.1
75.00900	0.7
83.01379	1.6
85.02959	6.6
87.00876	1.3
87.99255	0.5
89.02445	29.1
93.03474	0.5
95.01382	2.2
96.95997	1.4
101.02441	16.4
101.16975	0.5
113.02454	10.0
119.03498	10.9
125.02426	0.5
131.03490	1.4
143.03484	1.8
149.04567	0.8
161.04559	1.4
173.04518	1.1
177.02014	0.5
179.05620	3.3
191.05669	1.5
197.85503	0.6
224.97983	0.4
270.58640	0.4
313.23785	0.5
320.78891	0.5
385.08969	0.5
475.29349	0.9
517.10693	0.5
591.79810	0.5
649.39587	100.0
650.39923	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	649.3959
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01878	0.8
57.03443	1.1
58.00594	2.0
59.01382	51.2
60.01706	0.6
61.98837	0.6
64.37618	0.4
66.14886	0.3
69.37207	2.8
71.01388	31.4
72.99307	3.0
73.02950	1.2
75.00891	0.4
80.64310	0.3
83.01401	2.2
84.02185	0.4
85.02951	7.1
87.00887	1.8
88.64827	0.3
88.98820	0.3
89.02448	29.6
93.03482	0.5
95.01418	2.7
96.96021	2.2
99.00887	1.5
101.02447	18.2
111.04562	0.4
113.02458	13.1
114.02777	0.6
119.03516	12.3
121.02903	0.3
125.02475	0.6
125.09739	1.7
131.03522	1.2
135.04532	0.5
143.03494	1.6
149.04588	0.5
161.03404	0.3
161.04474	1.6
173.04530	1.0
179.05597	3.7
181.12260	0.6
187.09833	0.7
191.05621	1.2
207.10229	0.8
225.11331	0.9
243.12415	0.8
273.50861	0.3
545.29578	1.8
563.31207	0.8
649.39606	100.0
650.31433	0.7
650.39923	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	647.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22374	0.2
50.36077	0.2
55.01869	0.9
57.03439	0.6
58.00589	2.4
59.01377	56.4
60.01716	0.4
61.98821	0.4
69.88792	0.8
69.89203	0.4
71.01378	29.8
72.01730	0.4
72.99307	2.3
73.02940	0.8
82.04831	0.2
83.01376	1.6
85.02945	5.9
86.76360	0.2
87.00892	1.2
89.02442	30.0
95.01384	2.1
96.95968	0.3
101.02436	17.2
102.02798	0.5
113.02447	10.8
119.03497	12.1
125.02456	0.3
131.03433	1.1
143.03506	1.4
149.04550	0.8
161.04552	1.6
164.44237	0.3
179.04143	0.3
179.05595	4.0
190.74155	0.2
255.15532	0.2
647.37946	100.0
648.38293	16.3
648.46722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28877	0.1
58.56851	0.1
61.98826	100.0
71.18739	0.2
88.91499	0.1
145.16734	0.1
190.81825	0.1
211.29874	0.1
289.18326	0.2
307.19150	0.3
431.88177	0.2
517.06317	0.1
649.37817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23218	0.4
61.98829	100.0
65.57687	0.4
70.96249	0.8
79.29987	0.4
100.16604	0.5
116.92867	4.2
148.21895	0.4
169.18912	0.4
185.43199	0.4
225.11415	0.6
255.23380	1.1
298.84030	0.5
342.31479	0.5
394.13409	0.4
649.37201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41987	0.9
55.01871	1.5
57.03445	2.4
58.00580	2.3
59.01377	100.0
61.98803	0.8
70.03896	0.9
71.01379	53.2
72.99301	2.5
73.02943	17.5
75.13551	1.0
79.32478	0.9
82.95415	2.1
83.01392	6.8
85.02947	14.0
87.00868	4.6
89.02442	48.3
93.03427	2.6
95.01402	4.6
96.96001	4.2
98.08331	1.0
101.02439	35.3
110.32290	1.1
113.02447	39.7
119.02661	1.5
119.03500	22.3
125.02476	1.5
130.08458	1.0
131.03482	4.1
135.04478	2.8
143.03506	6.3
149.04527	3.1
155.03481	1.2
161.04538	12.4
163.04053	1.3
173.04565	4.7
179.03482	1.3
179.05611	11.9
191.05614	6.8
274.51151	1.0
289.89880	1.1
353.08661	1.0
543.28015	33.8
544.28534	4.6
561.29132	43.3
562.29077	4.3
603.30011	7.4
629.18304	1.2
639.06055	1.0
647.29669	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	647.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03455	0.9
58.00591	2.6
59.01381	60.5
60.01725	0.5
69.56289	1.7
71.01384	31.6
72.01718	0.6
72.99313	2.7
73.02949	0.6
83.01371	1.7
85.02955	7.2
87.00890	1.7
89.02448	34.5
90.02802	0.5
95.01383	2.7
99.00908	0.3
101.02450	19.5
102.02760	0.3
113.02450	12.6
119.02654	0.6
119.03510	12.7
125.36696	0.2
131.03488	1.3
143.03514	2.3
149.04550	0.7
161.04564	1.5
179.05621	4.8
270.48480	0.3
406.60452	0.3
410.30652	0.3
563.14777	0.3
647.38013	100.0
648.38354	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	647.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43120	1.1
56.58871	1.1
57.03442	3.2
59.01105	1.4
59.01381	16.4
61.98837	2.5
67.01894	5.5
69.03451	2.8
71.01388	19.5
71.55994	1.2
72.99311	5.0
73.02944	4.6
75.00873	13.5
75.01260	1.7
79.95741	2.2
81.03473	1.7
82.95446	1.0
83.01360	1.7
83.05032	1.6
85.02953	19.9
87.00864	8.9
89.02432	5.6
91.03994	1.5
93.03464	29.1
95.01387	3.1
96.96013	54.1
99.00898	9.0
99.04501	1.4
101.02446	2.9
103.00410	1.7
109.02950	2.6
111.00891	3.7
111.04530	5.7
113.02451	21.3
115.00394	2.9
117.01935	2.4
117.58424	1.0
119.03518	1.2
119.05045	1.2
121.02959	1.2
128.03476	1.3
129.01932	2.1
132.52173	1.1
135.04504	1.7
135.11842	2.1
137.02483	6.7
151.00368	1.5
155.03563	5.3
159.08142	1.6
161.09729	4.8
171.03017	1.1
173.04549	40.7
173.06038	2.1
175.02493	2.9
179.03583	1.4
179.10786	30.2
180.04175	1.2
180.11150	1.3
191.05621	35.7
192.06055	1.4
223.09630	1.1
225.11304	2.4
231.05101	2.7
249.06157	13.6
267.07138	8.3
411.16776	2.0
429.17627	10.1
449.18021	1.4
455.15338	3.2
473.16684	64.8
474.10718	1.1
474.16769	5.9
584.44067	1.1
629.21106	2.9
647.21881	100.0
648.22229	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03440	2.0
58.00582	0.9
59.01381	10.1
60.99288	1.0
67.01877	5.4
68.99821	0.9
69.03447	1.7
69.65255	0.6
69.77829	2.2
69.78246	1.2
71.01378	16.1
72.99300	3.2
73.02933	2.9
75.00871	11.6
81.03437	1.0
83.01396	1.2
83.05032	1.3
85.02949	16.7
87.00862	4.1
89.02431	2.9
91.03970	0.9
93.02861	1.4
93.03453	29.5
95.01398	3.7
96.96026	8.0
98.19984	1.3
99.00877	6.9
101.02424	1.0
109.01476	0.7
109.02924	1.6
111.00871	2.2
111.04530	6.4
113.02448	16.0
115.00368	1.5
117.01904	2.3
127.04020	0.8
129.01965	0.8
133.10199	0.6
135.11809	6.1
137.02463	5.6
155.03511	4.1
157.01407	0.9
161.09677	2.0
173.04539	42.6
174.04892	0.8
175.02432	1.9
179.10776	20.9
180.11113	1.0
189.04106	0.7
191.05608	18.0
192.05844	1.0
205.07115	0.9
222.95773	0.7
231.05096	2.3
233.20529	0.7
247.72260	0.7
249.06146	18.6
267.07196	6.2
411.16479	0.9
429.17593	16.4
455.15359	1.4
473.16562	43.6
474.16885	4.4
629.20917	2.1
647.21875	100.0
648.22180	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	647.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03439	2.8
58.00603	0.8
59.01379	11.0
61.98814	2.2
63.57022	0.7
66.91828	0.7
67.01887	5.0
68.99792	2.0
69.03432	1.9
71.01008	1.0
71.01380	16.2
71.09830	1.3
72.99291	3.8
73.02945	1.7
75.00469	0.9
75.00871	13.1
79.79420	0.6
81.03447	1.8
83.01395	2.2
83.05018	1.5
85.02946	16.7
87.00867	4.9
89.02438	2.4
91.03993	1.8
93.03453	29.7
94.03788	0.7
95.01382	3.9
96.96016	4.8
99.00873	8.4
103.00388	1.5
105.07063	0.7
109.02909	0.9
111.00873	2.0
111.04501	6.4
113.02444	17.3
115.00365	2.3
117.01929	2.2
127.04018	1.1
129.01909	1.4
133.10193	0.7
135.04543	1.2
135.11798	5.4
137.02435	7.1
155.03496	5.6
157.01465	1.0
158.89061	0.7
159.08162	0.7
161.09727	3.1
173.04536	36.0
174.05005	0.6
175.02495	1.5
177.01913	2.0
179.10768	23.2
180.11061	0.9
191.05594	7.9
223.09671	2.6
231.05092	2.1
243.76755	0.7
249.06122	19.6
267.07230	4.0
280.81204	0.6
285.04144	0.7
297.13455	3.1
429.17657	7.0
430.17789	1.2
455.15494	1.6
463.02438	0.6
473.16611	76.7
474.16989	7.1
474.65881	0.7
519.65991	0.6
618.82239	0.7
629.20758	1.7
647.21863	100.0
648.22095	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	643.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03447	1.4
58.00597	1.5
59.01378	20.3
59.97311	0.8
61.98815	1.1
65.35120	0.8
69.03447	1.2
69.17427	1.7
69.17831	6.6
71.01379	15.9
72.99313	2.0
73.02945	3.5
75.00872	1.1
80.02683	1.4
81.03461	2.6
83.01399	2.7
83.05029	4.7
84.02131	0.8
85.02961	3.5
87.00848	4.1
88.98806	1.2
89.02443	16.8
95.01402	1.0
95.05077	1.3
96.96014	1.5
97.02963	2.4
99.00886	1.3
101.02448	12.5
113.02447	6.4
119.03501	4.8
125.02440	6.2
125.09731	2.6
127.11295	4.6
143.03490	2.1
155.10736	1.2
159.22017	0.7
161.04515	4.1
163.11278	5.1
165.09230	1.6
165.12891	2.7
168.00624	0.9
171.10277	2.5
173.04549	1.5
179.05630	5.3
191.05624	3.2
199.09697	1.6
201.11310	90.1
202.11664	2.2
209.11812	100.0
210.12180	4.5
218.29349	0.9
221.06592	1.0
225.11342	0.8
227.12894	22.6
235.08215	5.6
253.09303	3.2
287.07693	1.6
305.08682	1.9
355.38599	1.0
359.15546	0.9
397.13474	60.6
398.13892	4.4
415.14532	44.6
415.23276	1.0
416.14847	2.1
505.57166	0.9
513.06396	0.9
599.25452	13.4
600.26428	1.3
607.25922	3.0
643.15002	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88953	1.3
54.33141	1.1
58.71679	1.3
59.01362	2.0
61.98829	17.7
68.99559	1.5
69.03441	1.6
70.05125	3.2
70.05511	3.1
71.01389	5.9
71.91092	1.2
78.98571	2.3
79.72684	1.3
79.95749	6.9
80.96528	10.6
81.03471	1.7
82.95416	2.1
85.02973	3.1
87.00862	1.8
93.03484	6.9
94.87377	1.1
94.98090	2.2
96.96014	18.1
101.02433	1.2
105.03452	2.7
109.06541	1.4
111.04507	5.9
121.02911	1.9
126.32409	1.2
133.02957	15.2
134.03754	24.7
135.04529	100.0
136.04834	2.9
137.02470	7.0
139.04025	2.8
148.99117	1.7
151.04124	1.3
152.98586	2.2
155.03513	5.2
163.21521	1.2
164.98611	2.1
165.06076	1.3
171.10240	1.5
173.04555	25.7
177.01955	4.8
178.02692	12.3
179.03493	32.8
191.05583	14.7
207.10214	1.5
208.58295	1.3
209.11916	1.9
211.13350	4.8
221.15427	3.6
225.00781	7.8
236.10475	2.7
291.19739	9.9
308.09003	2.6
311.65036	1.4
352.07886	4.5
407.21988	2.4
425.23303	18.5
426.23566	1.8
440.69827	1.2
451.21155	3.3
469.22321	29.5
470.22836	1.9
471.15356	14.8
472.15738	2.0
527.18201	2.0
643.16956	2.7
643.27313	38.9
643.37958	3.1
644.27545	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	643.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17723	0.1
53.82513	0.1
54.52404	0.1
59.01377	0.3
61.98829	0.3
63.13971	0.1
70.18980	0.1
71.01358	0.3
71.55810	0.1
78.95905	0.6
79.95739	3.4
93.03459	0.2
96.96011	100.0
97.95962	0.3
108.60715	0.1
135.04515	0.1
149.12325	0.1
173.04530	0.3
179.03462	0.2
191.05620	0.4
197.11807	0.2
209.11812	0.2
225.00644	0.1
253.09322	0.1
309.10297	0.1
351.05859	0.1
377.11874	0.1
380.63840	0.1
403.46756	0.1
425.23306	0.2
430.85034	0.1
451.20847	0.1
462.16629	0.1
560.69733	0.1
643.26501	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.51363	0.5
61.98821	3.4
67.01895	0.8
69.80610	2.8
71.01385	1.9
72.99358	0.6
78.95892	0.7
79.95732	2.1
80.96505	4.2
81.03444	1.2
83.05037	1.4
85.02963	1.7
93.03465	5.3
94.98099	0.8
96.96002	4.4
98.95590	1.6
101.02484	0.8
105.03458	0.7
107.05022	0.8
111.04494	3.4
116.50852	0.6
121.02943	0.8
127.03989	1.0
133.02951	3.3
134.03737	16.4
135.04520	100.0
136.04855	2.6
137.02463	4.1
139.04030	1.0
155.03523	3.9
161.02432	0.7
173.04536	11.8
174.04953	0.7
175.07616	0.6
177.01909	1.7
177.17297	0.6
178.02715	8.1
179.03488	63.7
180.03854	2.0
191.05623	9.0
225.00703	1.3
283.76157	0.6
289.18112	1.4
291.19595	1.9
313.17899	1.0
314.18210	0.9
351.72653	0.6
352.07889	1.0
387.13602	0.6
407.22061	1.1
425.23401	7.6
426.23886	1.2
451.21219	0.8
469.22217	12.7
470.22720	1.2
471.15140	4.8
527.18176	1.0
643.27399	24.6
644.17743	0.8
644.27185	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	643.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98827	2.9
67.01869	0.5
67.39312	0.4
71.01367	1.8
71.56294	0.5
72.99258	0.6
73.02929	0.7
78.95905	2.0
79.05523	0.5
79.95728	0.4
82.95404	0.6
85.02941	1.5
87.00878	0.7
89.02426	0.5
93.03461	2.0
95.05034	0.5
96.96016	9.9
98.95589	1.2
99.00878	0.6
99.38932	0.4
101.02438	1.2
103.64253	0.4
104.05027	0.7
107.03761	1.2
108.04549	0.5
113.02473	0.9
119.04995	0.5
119.74883	0.4
120.04594	2.1
121.05326	1.6
122.06120	9.5
123.06482	0.6
132.04562	16.5
133.02872	0.4
133.04880	0.6
134.06134	2.3
135.04538	1.0
135.06868	1.1
136.07687	9.7
137.02412	0.6
139.02782	0.5
144.04546	3.3
152.07169	11.6
152.99564	0.7
161.07222	0.9
162.05588	1.2
171.10370	0.7
171.11792	1.7
173.04526	4.1
176.03522	18.1
177.03810	0.8
185.11781	0.5
186.09235	0.6
188.03520	2.7
191.05600	5.3
198.09203	1.6
199.09973	1.3
211.13263	0.4
214.12364	10.3
215.12636	0.6
226.07614	0.5
227.08278	1.6
228.09009	0.7
229.09831	5.1
230.11899	4.2
241.01271	0.7
241.09798	7.3
242.10603	14.8
243.10896	0.8
255.11391	1.0
256.12122	0.7
257.12946	76.4
258.13287	5.1
283.10950	1.5
297.12521	1.2
301.11938	100.0
302.12259	6.0
327.21646	0.9
341.11414	39.6
342.11765	3.1
382.02444	0.5
465.02402	0.4
469.15363	0.8
527.23163	0.7
599.25226	4.1
600.25861	0.5
643.27582	4.7
643.36792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
59.01252	2.1
61.98703	5.5
61.99065	2.0
69.03320	3.1
70.83772	1.4
70.84132	0.9
71.01278	1.4
71.01619	0.7
71.04932	1.0
80.02561	0.8
80.02990	0.6
81.03355	0.9
83.04884	1.8
83.05334	0.9
85.02860	1.4
85.06468	0.8
89.02325	0.9
89.42788	0.7
93.03351	1.5
93.19029	0.6
95.04919	1.2
96.95857	2.1
97.02796	17.5
97.03480	2.2
97.06433	2.3
101.02342	1.3
107.04921	0.6
109.06446	1.9
109.37341	0.6
110.03650	0.6
111.04398	1.1
111.08039	1.3
119.08553	0.7
123.08057	1.1
125.09554	2.3
127.07459	0.8
135.49565	0.6
137.09735	3.7
151.11153	1.0
152.99498	1.0
163.11125	1.8
165.08981	0.6
165.12830	5.9
171.10277	6.1
175.11224	0.9
177.12865	4.2
179.14383	1.3
181.12181	2.1
183.13734	2.1
185.11681	1.2
193.08482	6.3
193.12143	2.5
195.13885	4.5
205.08446	0.8
205.12234	1.4
207.10165	3.1
209.11783	3.4
211.13417	3.2
215.10471	1.3
219.09923	1.2
221.11703	1.2
221.15485	3.3
223.13290	2.6
225.11270	1.0
227.12801	2.1
233.11591	5.3
239.16444	1.0
239.49054	0.8
245.11588	35.6
246.11949	1.4
247.20609	4.9
248.21184	0.6
251.16431	0.9
261.11005	2.2
262.11859	20.0
273.14743	5.8
273.18549	2.2
287.16272	1.1
291.19669	41.7
292.20096	3.2
309.20709	100.0
310.21072	6.9
313.17859	4.7
313.25415	0.8
325.25034	0.9
331.18915	25.6
332.19235	2.0
375.17911	1.6
405.26788	2.6
498.70493	0.6
555.32501	1.0
641.41095	34.2
642.41064	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	641.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51463	0.5
57.14442	0.6
59.01375	0.9
61.98818	0.6
69.63181	2.0
71.01379	7.4
73.39612	0.5
74.66438	0.5
75.63364	0.5
77.15382	0.5
77.86907	0.5
78.95902	0.7
93.03471	0.6
94.66479	0.6
96.95984	1.4
97.86044	0.6
125.09690	1.5
125.99306	1.3
141.09210	2.1
142.47075	0.5
155.10776	0.8
165.01653	2.5
168.97299	0.6
171.10268	2.1
173.04568	0.7
175.89589	0.5
181.08456	1.2
183.10010	1.1
193.04886	0.6
193.08418	8.7
197.07910	1.3
197.31723	0.5
199.09837	1.0
201.11307	1.0
207.10146	0.8
209.07910	2.3
209.11777	0.8
211.13377	0.7
221.07927	2.4
222.08713	53.8
223.09485	27.0
223.11374	0.4
223.11783	0.6
225.07437	1.0
225.11250	0.8
227.08899	0.7
231.09900	1.6
236.10326	2.8
241.06895	0.6
247.20486	0.7
254.07736	5.5
262.11816	3.0
291.19568	1.3
292.74634	0.6
303.19327	1.1
309.20761	7.9
311.22232	1.2
313.17740	2.9
331.18872	100.0
332.19220	7.5
333.19293	0.8
349.19019	0.6
532.28699	2.2
563.15039	0.6
619.02716	0.6
641.39215	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	641.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
58.26792	0.7
59.01367	1.8
61.98836	1.8
69.03448	1.5
69.62461	1.7
69.62897	2.6
71.01386	4.4
80.86471	0.7
93.03471	1.8
96.96013	1.2
97.02975	0.7
97.06611	1.2
98.19865	0.8
98.35719	0.9
109.06578	1.5
111.08178	16.9
127.07648	0.9
134.70775	0.8
137.02452	0.8
147.11813	1.6
148.03551	0.8
149.09622	0.9
151.11305	2.6
165.12834	2.9
169.12360	5.4
171.10225	0.9
173.04538	3.0
181.12363	1.0
183.13881	1.1
193.12360	0.8
197.11841	62.8
198.12169	2.4
199.13307	1.8
201.11209	1.1
207.10147	2.6
211.13405	6.4
212.13731	1.0
217.08435	1.4
219.10019	40.1
220.10329	1.2
222.58064	0.7
225.11455	1.0
227.12901	1.5
233.11588	19.5
234.11838	0.9
263.20184	3.2
265.18079	1.3
266.17865	0.7
273.18607	1.3
291.19678	11.9
291.36542	0.8
309.20721	100.0
310.21140	5.9
313.17761	0.9
325.94522	0.7
331.18900	24.9
332.19464	1.6
347.98453	0.7
359.82199	0.8
375.17926	2.8
438.43484	0.7
445.24265	0.7
449.36343	0.7
467.28867	1.0
541.07300	0.9
543.31586	0.9
641.41107	14.1
642.39948	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	641.404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80698	0.5
57.03418	0.6
59.01350	1.8
61.98833	25.8
69.03423	2.1
69.70007	1.0
69.70409	2.8
71.01376	3.2
71.05013	0.7
73.02952	0.6
83.05000	1.4
93.03419	1.5
95.05025	0.8
96.96006	0.8
97.02911	2.1
97.06554	0.6
98.20544	0.7
101.02319	0.6
109.06585	1.1
111.08167	14.5
119.08643	0.7
127.07584	1.1
132.65286	0.5
133.06548	0.5
137.09660	1.5
139.13995	0.5
141.61804	0.6
147.11813	5.1
151.11298	1.2
153.09074	0.7
153.12784	0.8
163.11264	0.9
165.12836	6.5
167.10724	0.9
169.12340	6.9
171.10243	1.6
173.04514	1.4
179.10765	0.9
181.12300	1.5
183.13914	0.9
187.10904	0.8
193.08542	1.7
197.11832	70.6
198.12213	2.6
199.13461	3.1
201.08969	0.6
207.10127	1.8
209.11844	0.8
209.15474	3.0
211.13365	5.4
215.10526	8.0
217.08458	0.8
219.10040	5.4
223.17125	0.8
225.11351	1.4
225.15050	0.6
227.12910	1.8
231.10109	1.3
233.11584	73.0
234.11909	3.7
247.20520	0.8
251.16620	1.9
263.20151	3.2
265.18066	1.4
273.14627	0.8
273.18576	1.8
291.19653	18.1
292.19958	1.7
309.20721	100.0
310.21030	7.3
313.17841	6.7
331.18921	12.4
332.19177	0.6
375.17999	0.8
405.26428	0.9
445.24173	2.7
543.31866	1.1
641.40680	22.6
642.41534	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	641.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28859	0.5
51.17336	0.5
52.73426	0.5
53.00297	0.7
57.03436	1.0
58.00591	1.4
59.01376	12.2
61.98826	16.0
69.03455	0.9
71.01379	45.5
71.03400	0.7
71.03744	0.9
72.01705	0.7
72.99277	0.7
73.02926	3.3
78.98577	1.0
79.95735	10.4
79.97452	0.5
80.96515	6.7
81.03452	1.3
83.01369	0.8
83.05013	0.6
84.02164	0.6
85.02930	3.3
85.30305	0.6
87.00877	2.7
89.02444	7.7
93.03471	2.3
94.98064	2.2
95.01406	0.9
95.05032	0.9
96.96006	100.0
97.02937	3.8
99.00867	1.8
101.02441	8.6
106.98103	0.7
109.06588	7.2
111.04501	0.7
113.02441	4.0
119.03488	3.4
121.06602	0.7
122.97612	0.7
125.02444	2.7
125.09714	0.9
127.11297	0.9
133.02957	0.7
134.97493	0.7
135.04532	0.6
135.08144	1.3
137.02448	0.6
139.04007	1.0
142.02731	0.7
143.03505	1.1
148.99106	0.7
149.04651	0.6
152.98657	1.2
155.10773	1.1
161.04552	1.4
161.09669	0.7
163.11266	4.8
164.98645	1.1
171.10268	8.2
172.10645	0.5
173.04529	3.1
179.03442	0.8
179.05612	1.7
181.12354	2.5
185.11839	1.7
189.09247	0.8
191.05589	1.3
197.11800	1.3
199.09784	0.9
199.13318	1.2
201.11308	8.7
203.35336	0.5
206.99716	0.7
207.10257	18.2
207.12202	1.0
208.10597	0.9
209.11722	0.6
211.13393	0.6
215.12845	2.2
225.00766	3.1
225.11313	21.3
226.11784	1.1
235.08197	2.3
243.12294	3.0
253.09311	1.8
370.07162	0.6
392.91251	0.5
397.13510	9.2
398.13907	0.8
415.14523	6.9
415.19864	0.9
457.15610	0.6
467.20343	0.7
471.15405	9.6
472.15701	0.9
527.18054	1.2
543.16852	0.5
609.44153	0.6
623.25220	7.7
624.26355	2.9
641.25848	8.3
641.34790	0.7
642.26282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01102	1.1
59.01377	14.1
61.98823	1.7
68.16579	0.7
69.03448	1.0
69.55482	4.9
71.01375	9.6
71.05009	2.1
72.99292	1.2
73.02948	1.7
79.98566	0.8
83.01379	1.4
84.84935	0.7
85.02949	4.9
87.00861	3.2
89.02437	8.6
93.03448	2.3
95.01375	1.0
97.02920	4.1
98.20654	0.9
98.62319	0.7
99.00875	14.6
101.02431	7.1
109.06578	1.1
111.00846	0.9
113.02413	3.4
115.00387	0.9
119.03488	2.2
124.60754	0.7
125.02425	2.1
125.09729	5.5
132.15930	0.8
133.01430	0.9
143.03534	0.7
161.04518	1.4
163.11288	6.5
167.03514	1.1
171.10234	7.7
173.04547	2.4
181.12341	13.6
191.05591	21.5
192.06036	1.2
199.13368	7.8
201.11272	2.9
207.10246	26.2
207.12193	1.3
208.10521	1.4
208.97839	0.9
211.13263	1.1
221.06581	1.0
225.11308	40.1
226.11548	2.5
235.08189	1.5
241.14322	1.1
243.12347	22.2
253.09164	1.2
397.13422	6.9
415.14542	4.4
449.22647	0.8
479.23990	0.9
569.24329	1.2
598.90802	0.7
623.25604	4.4
641.26520	100.0
642.26752	12.2
666.58594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42622	0.4
55.01881	0.8
57.03440	0.9
59.01380	12.8
61.98823	0.7
67.01881	0.5
69.03427	0.4
69.72975	2.2
70.37252	0.5
71.01380	11.0
71.05032	1.1
72.99322	0.8
73.02943	1.9
78.95943	0.5
81.03484	0.6
83.01394	1.4
83.05029	1.0
85.02959	3.6
87.00874	3.0
89.02444	7.2
93.03456	1.2
95.01386	0.6
96.96006	0.6
97.02956	3.4
97.06586	1.4
98.19887	0.7
99.00887	10.3
101.02440	7.3
109.06566	0.7
110.03755	0.4
111.00858	0.6
111.04533	0.7
113.02452	2.9
119.03498	1.6
123.08159	0.7
125.02466	2.1
125.09734	3.4
126.43027	0.4
137.02444	0.7
142.02626	0.6
143.03545	0.6
161.04546	1.1
161.09669	0.5
163.11287	4.5
164.11661	0.4
165.51483	0.4
171.10281	1.7
173.04597	2.3
173.59966	0.4
179.05705	0.4
181.12338	12.1
191.03790	0.5
191.05609	10.8
192.05920	1.0
197.11824	1.3
199.13400	13.8
200.13721	0.8
207.10257	24.3
208.10463	0.7
219.75430	0.5
221.06631	1.8
225.11319	41.1
226.11664	2.3
235.08252	1.1
243.12379	15.8
244.12715	0.9
253.09262	0.7
317.15744	0.5
348.35397	0.4
397.13681	2.9
415.14603	0.6
461.19830	0.5
623.25458	11.1
624.26282	0.9
641.26587	100.0
642.26941	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	640.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80581	0.1
59.01377	0.3
61.98828	100.0
62.98528	0.2
69.70759	0.8
70.57751	0.2
71.01381	0.9
73.01761	0.2
75.32705	0.2
79.95731	0.3
80.96516	0.4
93.03457	0.4
96.96008	1.5
98.19881	0.2
99.47522	0.1
111.04564	0.2
113.02483	0.2
125.32118	0.2
140.08067	0.1
141.95947	0.2
152.99602	0.5
171.10262	0.2
173.04573	0.6
191.05643	0.4
207.10323	0.3
208.10753	0.2
211.13434	0.4
225.11380	0.4
247.16600	0.1
397.13721	0.2
471.15488	0.5
612.60883	0.2
641.26660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98828	12.2
66.12311	0.3
70.69653	0.3
70.69997	0.6
71.01382	5.7
73.02947	0.5
78.95883	0.7
78.98579	0.5
79.95732	9.1
80.96512	6.2
81.03462	0.3
85.02938	0.8
87.00872	0.4
89.02429	1.0
93.03452	0.8
94.98066	1.5
96.96008	100.0
97.02953	0.6
101.02433	1.4
109.06596	0.4
111.04531	0.4
111.75033	0.3
113.02453	0.6
122.97567	0.7
125.02455	0.7
148.99127	0.5
152.98575	0.7
163.11285	0.7
164.98630	1.0
171.10231	0.8
173.04507	1.8
191.05611	1.1
201.11349	0.6
207.10246	1.7
209.11935	0.3
211.13380	0.4
216.66286	0.3
225.00710	2.4
225.11296	2.6
243.12633	0.4
254.46622	0.3
299.04599	0.4
397.13474	0.9
415.14499	0.8
418.62622	0.3
471.15350	9.0
499.18668	0.8
527.17908	1.6
543.17633	0.4
623.25043	0.5
641.24878	5.3
642.26483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21547	0.1
59.01390	0.7
61.98834	2.2
67.67338	0.1
70.19320	0.6
71.01382	2.4
78.95905	0.6
79.95740	5.1
80.96522	2.0
85.02944	0.3
87.00871	0.2
89.02454	0.5
93.03474	0.3
94.98090	0.4
95.69835	0.1
96.96014	100.0
97.02974	0.2
97.95974	0.2
98.20641	0.2
101.02455	0.4
103.92124	0.1
106.98071	0.1
109.06596	0.3
113.02436	0.4
123.08200	0.2
125.02451	0.4
125.09704	0.2
134.97623	0.2
148.99162	0.2
163.11307	0.3
164.98615	0.4
171.10262	0.5
173.04541	0.4
181.12332	0.2
191.05585	0.4
201.11316	0.5
207.10245	0.9
211.13358	0.2
225.00803	0.9
225.11395	1.0
241.00481	0.2
243.12305	0.2
339.93939	0.1
397.13580	0.5
415.14676	0.3
471.15506	2.6
527.18085	0.4
623.25861	0.5
641.24841	1.6
642.25879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06284	0.5
54.59636	0.5
55.26244	0.6
57.03421	0.9
58.00602	0.6
59.01380	16.3
59.79494	0.6
61.98826	0.8
67.01884	0.9
69.03458	2.7
71.01379	11.8
71.05025	1.2
71.55866	0.8
71.56238	0.7
72.99297	0.7
73.02950	2.7
75.00874	0.6
78.75325	0.6
81.49106	0.5
83.01376	1.6
83.05016	1.0
85.02940	3.8
87.00887	3.3
88.40514	0.5
89.02443	9.7
93.03455	1.3
95.01392	0.6
96.95995	3.0
97.02922	1.3
97.06598	0.8
99.00874	1.0
101.02432	9.1
104.54586	0.6
108.74177	0.6
111.04522	0.8
113.02447	6.3
116.92791	0.7
119.03479	1.7
125.02402	1.7
125.09692	1.9
129.01939	0.7
131.03493	0.8
135.04454	0.7
147.04456	0.7
151.11259	1.9
153.12820	1.0
155.03433	0.7
161.04543	1.3
161.09688	1.5
165.05551	0.9
173.04515	2.0
179.05537	1.0
179.10796	4.3
183.13841	1.6
191.05659	3.9
192.08015	0.6
193.12242	0.6
197.11832	51.7
198.12157	2.5
207.06525	0.6
211.13388	23.9
212.13718	1.0
213.14984	6.0
221.06732	1.4
223.09717	1.7
223.13260	0.8
235.08253	1.3
235.13356	1.6
241.10815	6.9
241.14439	10.9
242.14824	1.0
251.12997	1.4
253.09293	6.2
253.14470	1.3
259.13260	0.7
263.12952	0.7
265.43954	0.6
339.71533	0.6
397.13397	1.9
415.14291	0.9
447.09052	0.9
447.22299	8.8
448.22186	0.8
477.23480	15.4
478.23764	1.2
487.21686	1.9
489.23596	2.0
499.21762	0.7
505.22864	1.8
513.23297	1.2
517.22845	0.8
529.22986	1.2
535.31543	0.7
577.25128	1.4
595.25562	0.8
639.25018	100.0
640.25311	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	639.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60262	1.4
59.01376	28.9
61.98536	1.5
61.98822	5.8
63.11824	1.3
63.95428	1.2
71.01378	74.7
71.15784	1.2
73.02924	4.2
74.27761	1.3
81.03470	2.5
83.01373	1.9
83.05009	2.8
85.02951	3.9
89.02454	7.2
93.03424	2.2
95.01408	1.7
95.04940	1.2
96.96017	2.5
97.02936	5.2
99.00866	2.5
101.02435	11.4
107.05012	2.4
109.06586	32.6
110.03750	2.0
110.06902	1.6
113.02453	5.6
119.03516	1.9
121.06589	1.3
135.08130	3.7
142.02634	1.8
151.02667	1.3
161.04541	3.8
163.11282	19.1
170.77596	1.4
171.10272	12.4
181.12311	6.0
185.11836	3.3
189.09102	1.9
197.11871	1.9
199.09752	3.4
201.11292	8.4
207.10245	100.0
208.10564	5.8
209.11772	2.4
225.11302	57.6
226.11700	3.0
235.08186	1.7
243.12355	2.3
253.06631	2.0
253.09273	26.5
253.18069	2.2
299.14798	2.8
310.44400	1.4
414.14450	1.6
461.20309	24.1
462.20938	6.9
640.34766	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	637.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03447	1.0
59.01378	28.8
61.98828	3.1
68.23723	0.7
69.03439	1.1
71.01379	67.0
71.56838	0.9
73.02931	3.0
73.79662	0.6
74.21275	0.7
78.72501	0.6
80.02673	1.6
81.03457	2.5
83.01385	1.6
83.05027	2.8
85.02946	3.5
87.00860	1.9
89.02433	7.4
90.98580	0.6
95.05007	1.3
95.83196	0.7
96.96006	1.0
97.02960	6.2
97.06583	2.0
99.00871	3.0
99.04472	0.8
101.02441	10.5
104.89475	0.8
107.05004	0.8
109.06586	34.2
110.03711	1.1
110.06886	0.7
113.02440	5.2
117.03443	1.1
119.03482	2.1
119.05040	3.6
121.02940	1.2
121.06577	1.7
125.09735	2.2
133.02960	1.0
135.08148	3.6
136.05298	1.2
142.02734	1.9
145.02946	13.3
155.10762	1.1
161.04523	3.6
161.09702	2.5
163.03989	2.2
163.11279	18.4
164.11662	0.8
168.23386	0.8
171.10265	10.3
173.04480	1.2
176.33017	0.7
179.05594	1.4
179.10764	0.8
181.12357	8.3
185.11775	2.2
189.09201	1.6
197.11705	1.2
199.09784	4.2
199.13382	1.4
201.11270	6.4
207.10242	100.0
208.10558	5.1
209.11758	2.9
215.12926	0.9
225.11302	58.2
226.11623	2.6
235.08185	0.8
243.12442	3.3
253.09273	25.0
254.09659	1.2
269.04434	0.7
269.21408	0.9
281.06876	1.0
287.22299	0.9
299.15128	1.6
374.06134	1.6
415.24875	0.8
433.25934	9.2
434.26508	1.0
461.20300	25.6
462.20819	6.2
469.91681	0.8
637.32397	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	637.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67690	3.7
59.01379	39.0
61.98828	7.6
71.01374	35.4
71.56469	4.0
77.23522	4.2
78.95902	6.5
78.98576	5.8
79.95733	9.7
80.96520	50.1
82.96103	9.4
85.02946	11.0
87.00875	11.2
89.02441	48.0
94.98074	15.1
96.95996	4.1
101.02437	20.8
101.42057	4.2
101.97072	4.1
113.02446	14.9
119.03511	19.1
124.96985	3.8
143.03523	6.2
161.04529	9.2
164.98618	7.6
171.10179	11.7
179.05615	25.3
209.11714	6.4
211.13353	12.9
215.03296	14.4
217.36008	4.0
219.10245	4.2
225.00641	14.0
227.12952	5.5
229.14401	6.5
235.24492	4.0
277.21704	100.0
291.19730	14.1
304.06992	4.3
307.18961	13.9
309.20758	17.9
319.22653	7.4
323.09811	40.0
325.14514	7.1
325.20313	7.6
327.21707	57.2
329.23334	14.7
335.15945	4.4
341.10855	70.6
377.17871	5.2
453.80188	4.0
577.26849	86.5
578.27203	10.8
579.27118	32.2
586.40057	4.6
601.32257	59.3
602.32648	6.3
637.22821	5.2
637.30664	50.4
637.41193	8.3
638.30334	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	637.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
59.89647	0.4
71.01396	0.7
71.54717	0.6
85.02949	0.8
87.00870	0.7
88.98813	0.5
93.03465	6.6
96.96021	4.7
98.95616	0.9
111.04527	1.4
116.92799	0.6
119.05029	46.1
120.05347	1.1
127.04079	0.5
137.02452	8.2
155.03473	1.6
163.04012	100.0
164.04346	3.2
173.04538	4.2
191.05612	9.8
215.80945	0.6
299.07742	1.5
337.09283	37.0
338.09579	2.0
362.00687	0.7
446.04822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.271
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01869	0.6
57.03437	0.8
58.00606	0.4
59.01378	16.3
61.98835	0.9
63.19328	0.4
65.83672	0.5
67.01891	0.6
69.03453	0.5
71.01376	11.3
72.99310	1.3
73.02946	1.8
75.00858	0.9
81.03454	0.5
83.01387	1.3
83.05009	0.6
83.38905	0.4
85.02954	3.4
87.00861	3.0
89.02435	7.6
93.03448	3.2
95.01389	0.7
96.96000	2.0
97.02945	1.4
97.06592	0.5
98.20653	1.3
99.00877	1.1
101.02444	8.4
106.04225	0.6
111.04520	1.1
113.02443	4.9
115.00330	0.6
116.73186	0.4
119.03515	2.2
125.02430	2.1
131.03470	0.6
133.02962	4.3
134.03796	2.2
135.04518	0.8
137.02415	1.1
139.04059	0.7
143.03496	0.9
145.02834	0.4
155.03470	0.9
161.04546	1.0
173.04527	4.8
177.01944	3.7
177.12820	4.6
178.02676	3.4
179.05531	0.7
191.05598	4.8
195.13885	59.3
196.14229	1.8
209.11870	0.6
211.13167	0.5
221.06731	0.8
221.11732	0.8
235.08215	0.8
239.12830	6.1
253.09274	0.7
307.86899	0.5
309.14963	1.4
313.16641	0.5
327.15924	1.3
347.56317	0.5
371.27972	0.8
397.13538	4.2
414.05618	0.5
415.14569	2.1
445.18677	2.0
463.19598	3.3
515.32172	0.9
533.33856	1.1
593.26672	0.7
593.35388	7.6
594.35480	0.9
637.27032	100.0
638.26971	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	636.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40022	0.3
58.02972	10.5
59.01374	1.7
69.03452	0.3
69.45200	1.8
70.02976	4.9
71.01374	1.2
72.00905	2.9
73.38835	0.3
79.95740	0.6
85.02974	0.5
89.02408	0.4
91.05522	2.7
93.03434	0.7
96.96009	26.7
101.02443	0.4
103.05532	0.4
104.47386	0.3
106.59094	0.4
113.02445	0.4
115.00359	1.1
131.35983	0.3
135.04521	0.7
147.04515	21.8
148.04820	0.9
155.03497	0.3
162.09251	0.6
164.07153	55.1
165.05452	0.4
165.07491	1.4
173.04549	0.8
191.05554	1.3
206.08205	100.0
207.08563	4.7
215.49176	0.3
250.07153	1.3
285.04202	0.4
313.63074	0.3
360.23959	0.5
424.93701	0.3
461.07697	0.4
489.28369	0.3
532.24786	0.5
636.32336	1.2
643.04242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30698	0.3
57.26751	0.3
58.02972	10.8
59.01377	1.5
61.98805	0.3
69.39560	2.6
70.02977	4.7
71.01376	1.4
72.00906	2.9
74.53489	0.3
78.95918	0.3
79.95753	0.6
85.02942	0.8
89.02441	0.5
91.05523	3.8
93.03441	0.6
96.96005	21.2
101.02439	0.5
113.02449	0.3
114.63483	0.3
115.00374	1.3
120.26842	0.3
147.04514	20.2
148.04857	0.6
150.03065	0.4
164.07152	57.4
165.07468	2.1
173.04514	0.6
191.05592	1.1
195.06528	0.3
206.08202	100.0
207.08563	4.1
250.07170	1.2
281.46344	0.3
285.04102	0.3
360.23648	0.6
374.29669	0.4
592.23224	0.4
620.11163	0.4
636.32074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03447	3.9
58.00608	0.5
58.16505	0.4
59.01377	73.1
60.01716	0.4
61.98825	2.7
69.38654	3.0
71.01379	14.0
72.99287	0.7
73.02957	4.5
75.00862	0.6
83.01397	2.0
83.49728	0.4
85.02950	6.6
85.06628	0.5
87.00908	1.5
88.98797	0.8
89.02444	5.8
93.03462	1.3
95.01385	1.0
96.96008	5.1
97.06612	0.4
98.95592	0.9
99.00890	1.7
101.02436	9.4
111.00896	0.6
113.02452	6.6
115.09708	0.4
119.03500	2.8
121.02972	0.4
125.02472	0.7
135.04523	0.5
142.11389	0.5
143.03461	0.8
159.03024	0.6
161.04539	2.0
171.10286	5.0
173.04488	2.9
187.52794	0.5
191.05580	3.8
198.93355	0.4
201.11330	1.7
209.11804	4.0
209.19107	0.7
211.17091	1.5
213.18555	0.6
225.11368	0.5
227.12787	0.7
253.09155	0.7
265.21710	1.3
269.89133	0.5
278.87738	0.5
281.04373	0.6
281.24808	3.2
282.24918	0.5
283.22751	5.8
311.16486	0.9
325.23889	0.5
443.07678	0.9
471.29761	1.6
489.30847	0.9
515.32404	2.6
531.31573	2.1
533.33594	0.5
549.32465	2.3
567.33350	1.6
573.32947	3.7
591.33826	100.0
592.34113	11.5
635.38556	11.4
636.38904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77607	0.4
57.03444	4.8
59.01375	16.4
61.98829	1.1
68.99569	0.5
71.01376	8.9
71.05015	0.9
72.71033	0.4
72.99303	0.9
73.02959	2.9
80.02482	0.5
83.01369	1.3
83.05029	0.7
85.02961	3.7
85.06573	1.4
87.00868	3.2
89.02450	2.3
93.03452	1.0
95.01385	0.8
96.96011	14.3
99.00887	0.9
99.08145	0.7
101.02446	4.5
112.98560	1.2
113.02452	3.5
119.03505	0.6
119.05015	1.1
133.96811	0.4
135.04509	1.4
136.01646	2.0
137.02480	0.9
145.53792	0.5
148.05270	1.9
149.05978	0.7
151.04005	1.9
160.05298	1.7
161.04507	0.6
169.12407	0.6
171.10223	0.6
173.04564	3.6
175.07605	1.8
178.06375	3.0
179.03369	0.5
190.06387	0.6
191.05583	3.1
193.08662	4.2
197.16051	0.4
205.08727	0.7
225.18570	1.6
227.20178	0.7
237.07631	1.7
237.14995	0.8
255.19588	1.7
267.08691	1.0
325.18021	0.6
325.23718	4.3
343.24841	27.6
344.25128	2.2
353.17462	3.0
369.26404	2.0
515.22760	1.9
531.31702	5.3
544.43079	0.5
549.32788	13.7
550.33051	1.1
591.33783	100.0
592.25293	0.6
592.34064	12.2
635.23682	2.1
635.32574	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67370	0.8
55.01886	0.9
59.01383	10.7
69.03472	1.6
70.70053	2.8
71.01383	10.7
72.99303	2.0
73.02947	2.8
75.00871	4.9
76.14724	0.9
83.01371	1.8
85.02956	7.1
87.00872	3.1
89.02457	3.7
93.03458	2.8
94.06573	0.9
95.01381	2.3
95.05956	1.0
96.96011	5.4
98.95657	1.2
99.00879	2.7
101.02428	2.4
108.04563	1.4
109.02937	0.9
110.06108	1.9
111.08881	0.9
113.02461	7.9
113.03223	1.1
113.03493	0.7
115.00392	1.1
118.06664	2.2
119.03461	1.4
119.05016	1.3
121.05364	1.4
122.06118	5.6
123.42262	0.9
132.04550	1.4
133.10271	0.9
134.06148	1.9
135.04604	1.3
135.11778	2.5
146.06110	8.7
161.09785	2.8
164.07132	1.1
173.04507	3.7
175.02620	1.1
179.05788	1.3
179.10776	6.5
191.05592	8.5
211.08577	2.0
214.08783	1.1
224.15025	1.0
226.07578	6.2
226.12379	4.5
227.08293	4.9
227.11880	3.3
237.06728	1.3
239.08295	6.3
240.09033	13.2
241.09836	14.4
242.10521	1.9
248.15486	1.2
249.06166	6.4
253.09869	5.0
254.10602	11.5
255.11372	26.7
256.11789	2.0
257.12936	1.5
258.10196	1.0
266.10373	1.1
267.07108	2.0
267.11386	4.0
268.12155	1.7
269.12964	22.7
270.10379	1.5
270.13663	2.7
271.14560	1.5
272.08102	6.3
284.11670	4.2
285.12396	8.9
286.09619	9.9
286.12982	2.9
300.11258	1.9
301.11819	1.2
307.14636	2.0
313.08633	1.2
313.11826	7.3
314.12604	3.2
316.10596	5.2
322.15628	3.0
329.10974	1.2
330.12167	3.2
333.15842	1.1
334.12045	1.2
336.13391	3.1
348.13599	4.6
350.15149	4.5
351.16013	1.6
362.15250	5.8
363.15897	1.2
364.16714	8.8
366.14542	12.2
366.18509	0.9
367.15186	1.2
376.16583	7.7
378.18271	2.3
380.16080	20.7
380.20599	1.3
381.16864	12.0
392.19879	2.5
394.17749	20.2
395.18008	1.9
408.15305	6.8
409.19986	4.2
410.16678	1.1
411.15891	1.3
420.15558	1.6
422.17148	4.6
423.17551	1.2
429.17471	2.5
436.18552	2.3
438.16617	11.9
452.18185	4.8
453.19046	39.7
454.19653	13.1
455.15826	2.0
459.06747	1.6
473.16602	11.7
485.17993	3.5
515.17749	1.4
529.33392	1.0
556.19244	1.1
575.18793	4.9
575.25287	8.7
576.25769	2.9
587.25684	1.5
599.25073	3.8
617.26154	100.0
618.26514	12.7
635.28009	68.3
636.27942	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	635.272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95021	0.9
59.01378	6.9
59.24928	0.9
65.44648	0.9
71.01372	5.5
71.56115	1.5
72.99320	1.4
75.00883	2.7
83.01405	1.3
85.02978	4.3
87.00893	1.5
88.20680	0.9
89.02435	1.9
95.01414	0.9
96.96020	4.8
99.00909	2.6
101.02455	1.6
103.45274	1.1
110.06126	1.1
113.02396	4.6
121.05354	2.2
122.06127	4.8
124.87728	0.9
132.04552	1.3
134.06169	1.2
135.11823	2.3
136.07697	1.4
144.04637	1.0
146.06105	9.4
146.07025	0.8
161.09816	1.3
164.47998	1.1
173.04619	2.8
179.10844	3.0
191.05679	4.1
211.08698	1.9
213.10536	1.6
225.06837	2.3
226.07414	5.5
226.12363	4.6
227.08199	6.4
227.12109	2.7
229.09776	1.4
239.08153	6.6
240.09006	15.3
240.11131	1.1
241.09801	16.8
242.10727	2.9
249.06334	3.8
252.09195	1.6
253.09763	4.6
254.10590	12.6
255.11357	24.3
255.13840	1.6
256.11923	1.4
257.09576	1.2
257.12991	2.4
267.07312	1.3
267.11404	4.5
268.12180	1.5
269.12930	23.9
269.15555	1.3
270.10303	2.4
270.13577	3.5
272.08011	6.3
283.10934	2.4
284.11911	3.5
285.12439	6.4
286.09750	7.9
286.13278	2.8
287.10297	1.2
300.11362	1.2
301.12000	2.3
302.09290	1.2
307.14465	0.9
313.12140	4.1
314.12863	4.0
315.13577	1.5
316.10742	4.9
321.16016	1.2
322.15860	1.6
330.12436	4.3
336.13776	3.2
345.10947	1.1
348.13678	4.1
350.15237	5.6
351.16031	2.1
362.15308	4.9
363.15939	1.7
364.16611	9.0
366.14508	12.5
366.18170	1.4
376.16684	5.6
378.18292	2.4
379.19006	1.6
380.16089	18.6
381.16968	12.2
392.19879	1.8
394.17697	19.2
408.15253	4.9
409.20126	4.7
416.47009	1.0
420.16025	2.2
422.17120	6.2
423.17938	1.9
429.17752	1.8
438.16711	14.0
441.19940	1.1
452.18610	3.8
453.19028	45.9
454.19693	12.8
459.06842	4.5
473.16470	7.6
485.18225	2.7
545.18726	1.4
566.51123	1.0
575.26740	9.2
576.26062	1.9
587.25055	1.8
599.25977	3.2
617.26129	100.0
618.26483	13.1
635.27734	74.3
636.27930	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	635.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01383	1.5
67.01893	0.2
70.00413	0.1
71.01389	1.3
73.02930	0.5
81.91769	0.1
82.00267	0.1
83.01331	0.2
85.02955	0.8
87.00855	0.2
89.02434	0.2
93.03454	1.9
95.05015	0.5
96.96012	1.2
99.00870	0.3
101.02444	0.7
105.07106	0.2
106.04250	0.7
108.02179	0.2
109.02948	0.2
109.06593	2.5
111.04501	0.2
113.02434	0.5
114.52097	0.1
119.05020	11.0
119.48713	0.1
120.05350	0.3
121.02979	0.8
121.06546	0.4
122.03740	2.2
123.04518	0.2
123.63963	0.1
132.05798	0.4
133.06410	0.1
134.03717	0.2
135.04510	3.7
136.05301	2.6
137.02397	0.3
140.21672	0.2
147.04539	0.5
148.05324	0.1
149.06073	5.1
150.06458	0.1
161.04523	0.2
161.06067	0.4
161.13364	0.3
173.04543	1.8
173.05934	0.2
177.09151	0.3
179.10678	0.2
189.09212	0.5
191.05621	0.9
191.10812	0.2
201.09164	0.6
203.10747	0.3
205.12370	0.7
206.93126	0.1
219.10248	0.1
242.09508	0.3
243.10220	5.5
244.10616	0.3
255.10190	1.5
267.17566	0.5
311.16495	100.0
312.16843	6.8
343.24780	0.8
350.75854	0.1
417.21204	0.5
473.21768	20.3
474.22128	1.9
549.32867	0.3
591.26227	0.7
591.34283	2.9
592.34296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45849	0.1
57.64741	0.1
59.01386	0.7
61.98813	0.2
67.01907	0.1
69.03448	0.5
71.01382	0.7
73.02946	0.2
79.05530	0.2
81.03459	0.1
83.01385	0.1
85.02938	0.4
85.92593	0.1
89.02455	0.2
93.03494	0.2
95.05028	2.0
96.96015	0.5
98.19932	0.2
101.02442	0.5
106.04266	0.6
108.02164	0.7
109.02963	1.1
111.04549	0.6
113.02475	0.3
119.04256	0.2
119.05026	2.4
119.05820	0.2
121.02956	4.9
122.03747	3.4
123.04535	0.7
132.05803	1.0
133.06596	3.0
134.03773	0.1
135.03491	0.2
135.04527	3.6
135.97476	0.1
137.06076	0.9
149.06001	0.2
161.04543	0.5
161.09712	2.0
164.04811	0.5
171.10216	0.3
173.04517	0.4
174.10429	0.2
179.97678	0.1
179.99178	0.1
187.11287	7.3
188.11629	0.2
189.12852	2.9
191.05548	0.3
209.11824	0.2
211.11214	0.3
242.09505	0.3
255.06647	0.3
267.17529	0.5
269.15460	1.0
298.94592	0.1
311.16513	100.0
312.16867	8.1
335.16437	0.1
389.50766	0.1
397.13480	0.1
473.21802	16.1
474.22058	1.9
531.32086	0.1
544.06799	0.1
581.86780	0.1
591.16888	0.2
591.33856	0.1
635.17145	0.1
635.27484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3646
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
55.01883	0.6
56.88885	0.3
57.03449	0.9
58.00599	2.0
59.01381	52.0
59.34467	0.3
60.82220	0.3
61.98835	1.1
70.08160	1.2
71.01384	31.5
72.99323	3.0
73.02950	0.7
73.54720	0.3
78.65816	0.3
83.01369	1.6
85.02952	7.4
87.00884	1.6
87.32726	0.3
88.98824	0.8
89.02447	32.5
89.34135	0.4
90.91925	0.3
93.03477	1.0
95.01387	3.1
95.11248	0.3
96.96016	5.1
98.20603	0.4
99.00872	0.4
101.02444	18.5
111.73748	0.3
113.02454	11.3
117.03494	0.5
119.03507	13.4
131.03502	1.4
134.68301	0.3
135.04565	0.4
137.02480	0.3
139.49246	0.3
143.03496	2.0
149.04567	0.9
155.03557	0.4
161.04518	1.6
171.10284	1.1
173.04558	1.4
179.05603	5.0
191.05611	2.5
225.01955	0.5
253.01247	0.5
255.03052	0.4
309.14935	4.0
471.20303	1.1
535.08905	0.7
536.09277	0.6
633.16711	6.0
633.36456	100.0
634.16339	1.5
634.36865	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	632.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96906	0.6
58.00598	0.6
59.01072	1.0
59.01379	47.2
61.98829	100.0
68.89764	0.6
71.01382	17.0
71.55949	0.8
73.02943	7.4
83.01400	2.5
84.95090	1.4
85.02946	4.6
85.49102	0.5
87.00883	4.3
88.98827	1.3
89.02443	8.9
95.01414	1.0
96.96038	1.7
99.00880	1.3
101.02443	11.7
112.70392	0.6
113.02447	16.9
119.03461	3.5
125.02447	0.7
131.03491	1.5
139.85356	0.6
141.76436	0.7
143.03520	1.9
149.04593	1.7
152.06172	0.6
157.34752	0.6
160.53561	0.6
161.04556	7.6
173.04593	1.4
179.05620	2.0
191.05624	1.5
215.87950	0.6
221.06735	1.0
309.20810	0.7
351.47220	0.7
455.26453	0.6
465.28500	14.7
466.29053	1.6
483.29581	4.8
484.29968	0.8
525.30994	2.2
633.31183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
58.00578	1.4
59.01376	31.8
61.98293	0.9
61.98820	1.9
63.12647	1.2
69.03451	1.5
69.83059	5.6
71.01381	31.5
72.99328	2.3
73.02946	3.9
83.01388	1.9
85.02977	5.5
87.00881	7.2
89.02446	18.6
93.03455	1.0
95.01374	2.6
96.96004	3.7
97.02951	2.8
97.06569	1.1
99.00894	1.1
101.02442	14.5
109.06564	1.2
109.52811	0.9
113.02451	9.0
119.03499	7.4
121.02950	2.0
123.00863	2.5
125.02448	13.7
125.09735	2.2
137.09758	1.3
141.09224	1.6
143.03462	1.5
161.04594	2.6
165.12888	1.6
171.10245	2.5
173.04529	4.2
179.05576	3.7
181.12302	1.7
185.11832	1.3
191.05624	3.0
197.11839	1.1
199.09723	2.5
200.10452	1.8
201.11214	2.2
211.13373	3.2
247.20615	3.6
271.20639	1.9
287.26187	1.1
288.84274	0.9
291.19638	28.6
293.21219	8.4
307.18900	1.5
309.20715	86.6
310.20938	7.8
315.19617	6.5
325.42499	1.0
333.20761	8.5
341.10983	2.2
345.20676	4.2
363.21713	4.0
381.22824	8.2
399.21796	4.0
411.23856	7.2
435.23871	1.3
453.24844	9.2
471.25974	12.9
562.37524	1.1
633.31238	100.0
634.31738	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	631.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74576	0.5
53.47888	0.4
55.01875	0.5
59.01371	1.0
66.56533	0.4
71.56503	0.5
73.02943	12.4
75.00877	2.8
87.00845	0.5
99.00877	3.9
99.92582	10.3
100.92546	0.4
115.00371	0.9
116.03602	0.7
116.07206	0.8
116.92857	100.0
116.97244	5.0
117.01936	19.4
117.05582	2.9
117.92873	3.1
155.65613	0.5
186.35278	0.5
229.79471	0.4
230.81662	0.5
233.11569	0.6
270.50317	0.5
275.06238	0.5
277.21692	2.0
305.55695	0.5
566.15210	0.5
593.85449	0.5
606.85547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98841	0.7
64.67573	0.5
69.35666	4.1
73.59091	0.5
98.20406	2.1
124.94596	0.5
277.21695	100.0
278.22070	6.0
599.30658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.3
59.01380	22.4
60.99278	0.8
61.98817	2.1
66.97350	0.7
67.49003	0.8
69.03462	0.9
71.01379	21.0
72.99300	1.6
73.02937	3.5
83.01380	2.9
85.02958	5.3
87.00861	3.6
88.98798	1.9
89.02438	17.2
93.03459	2.1
96.96004	3.3
97.02946	3.6
99.00846	1.7
101.02444	15.6
113.02440	7.4
119.03503	5.5
120.24618	0.9
121.02995	0.9
125.02441	5.5
125.09763	0.9
127.11268	1.8
131.03519	1.2
135.04475	2.6
143.03444	2.3
149.02522	0.9
161.04518	3.7
167.03545	0.8
171.10262	100.0
172.10571	2.6
173.04488	3.0
179.03459	2.7
179.05586	3.4
191.05624	7.4
209.08087	1.4
221.06697	1.2
235.08180	8.0
253.09288	1.3
263.07715	0.9
287.07596	1.8
305.08655	2.4
323.09711	1.2
327.05026	2.0
397.13480	78.2
398.13867	3.1
415.14532	29.9
416.14929	1.4
447.09464	1.5
569.24475	9.1
570.24939	1.0
580.16730	0.8
649.46356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86335	0.4
59.01366	1.1
70.13920	1.5
71.01383	1.3
71.07796	0.4
74.47234	0.4
83.04987	0.5
85.02945	1.4
89.02420	0.8
93.03436	1.9
96.96005	6.4
97.91968	0.4
101.02402	0.6
107.03398	0.4
111.04513	2.1
115.00382	0.7
115.78181	0.4
119.05022	44.8
120.05356	1.3
126.43980	0.4
127.04079	0.4
127.05140	0.6
128.03476	1.8
131.07135	1.3
135.04523	0.7
155.03513	1.9
163.04002	100.0
164.04346	3.4
164.07152	0.5
173.04512	4.3
191.05614	12.5
195.25168	0.4
199.98868	0.4
249.47705	0.4
275.10086	0.4
293.12335	4.1
337.09256	36.6
338.09619	2.4
435.68204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60199	0.6
76.23944	0.2
78.95908	0.9
79.95746	3.2
95.05000	0.3
96.96014	100.0
98.19953	0.3
241.01109	0.2
291.04129	0.4
293.21240	0.6
335.09967	0.2
351.06128	0.6
354.10031	0.4
405.13617	0.3
627.36603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99167	0.1
61.43232	0.2
62.39308	0.1
70.78264	0.3
70.78576	0.2
78.95909	0.5
79.95731	3.2
96.96008	100.0
97.95962	0.3
105.55958	0.2
136.01318	0.1
157.02495	0.2
230.73912	0.1
233.21277	0.2
253.09167	0.2
291.04092	0.2
293.21408	0.3
351.06055	0.3
358.61505	0.1
477.14908	0.2
502.15134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73055	0.6
57.03438	0.8
59.01374	3.0
61.98825	3.9
63.16572	0.5
67.56320	0.5
68.94942	0.6
70.51217	1.7
71.01374	1.5
72.60294	0.5
73.02942	0.6
77.96157	0.5
78.61050	0.5
78.91866	0.6
78.95899	42.5
80.91674	4.0
82.95409	0.9
83.05029	1.0
85.02968	0.8
89.02427	0.7
93.03416	0.6
93.44789	0.6
96.95998	2.1
96.96950	7.9
97.02976	0.8
97.06594	0.8
99.08128	1.1
101.02396	0.8
113.02409	0.8
113.09695	2.1
123.08248	0.6
129.09218	1.8
139.11264	2.1
150.97911	0.6
151.11264	0.8
152.99573	45.2
165.12837	1.0
169.12291	1.9
171.00635	0.8
171.10274	5.2
173.04549	1.6
181.12329	2.1
183.13908	1.5
185.11778	0.6
191.05574	1.2
193.08449	0.6
193.12247	1.9
195.13916	0.8
197.11807	5.4
198.46095	0.5
199.13390	2.5
209.11772	1.4
211.13396	7.6
219.74518	0.6
223.00055	5.3
227.12807	0.7
241.01178	18.9
242.26913	0.6
253.09334	3.5
259.02048	1.1
275.07510	1.2
275.20239	0.7
291.19818	1.3
293.21176	8.2
294.21542	0.8
309.20651	5.4
311.22253	21.2
312.22665	1.5
315.04871	5.6
322.30792	0.6
331.18552	1.0
333.06012	1.0
357.77759	0.5
391.20782	1.2
425.73044	0.5
447.21317	0.6
533.50067	0.6
606.58258	0.8
616.92017	0.7
627.27808	100.0
628.28046	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	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01358	0.5
61.98809	0.9
67.20596	0.5
69.48651	0.6
70.18516	1.5
70.18937	0.9
73.02939	1.0
102.06173	0.6
127.63653	0.5
146.84242	0.6
187.01465	0.5
194.94975	0.5
261.69327	0.5
303.27716	0.5
351.32700	0.5
437.12466	0.9
438.13245	0.7
451.13995	1.6
452.15018	3.0
465.15942	0.9
480.14178	0.8
481.15070	7.1
482.15616	1.0
484.13837	0.8
493.15491	1.4
495.16766	14.7
496.17142	2.5
507.16626	0.7
508.17313	2.3
509.18454	1.3
512.13544	0.9
523.15436	0.7
526.14850	0.9
533.18079	0.8
535.16309	2.5
536.17206	3.1
539.15479	0.9
540.16870	3.2
551.19348	37.4
552.19568	6.7
554.16595	1.8
555.18738	0.6
568.15442	1.1
572.15619	3.1
586.16278	2.4
595.18329	7.6
596.18530	1.6
627.20886	100.0
628.21149	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	627.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
58.00594	4.2
59.01385	100.0
61.98835	4.8
68.74810	3.5
71.01387	79.3
72.99313	6.1
73.02888	2.9
73.38902	3.0
75.00848	6.1
76.39180	3.7
77.60766	3.1
83.04990	5.3
85.02938	11.9
87.00880	10.2
89.02447	97.8
93.03433	7.5
95.01377	5.8
96.96000	7.3
101.02437	37.0
113.02435	26.6
119.03503	38.7
119.04945	3.3
119.17047	2.8
125.02470	5.3
131.03493	5.1
137.02461	3.6
138.23302	3.0
143.03510	11.5
145.02946	8.3
149.04472	5.2
161.02481	27.3
161.04536	10.3
162.03247	45.9
165.05444	3.7
173.04501	8.3
176.04778	10.9
177.05553	38.0
179.03534	25.1
179.05592	45.5
191.05612	27.0
192.05736	3.1
194.05827	30.6
195.06641	6.0
195.44679	3.5
209.08235	37.3
209.11841	74.7
210.12155	42.2
211.12297	20.8
227.12778	15.1
228.13220	11.7
229.13342	6.2
235.08125	6.1
307.06104	3.8
357.11877	8.9
397.13318	13.3
398.13815	12.9
399.13977	24.6
415.14401	6.3
416.14871	12.1
417.15109	16.6
428.84348	3.2
531.16309	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	627.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56230	0.1
52.22694	0.1
59.01373	0.2
61.98829	0.1
71.01379	0.3
71.55923	0.1
78.95914	1.1
79.95744	3.2
95.05027	0.2
96.96012	100.0
97.95962	0.3
108.88696	0.1
113.11167	0.1
118.96638	0.1
173.04572	0.2
188.71954	0.1
243.02083	0.1
253.09302	0.1
291.04105	0.5
293.21228	0.5
335.03149	0.1
351.06128	0.5
354.09924	0.4
391.18298	0.1
415.29388	0.1
485.09845	0.1
627.27094	0.2
627.36359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.1
61.98833	1.1
64.66569	0.6
65.03949	2.2
65.17835	0.6
67.01879	1.1
70.29220	1.9
70.77608	0.5
71.01379	1.4
85.02925	1.0
87.00909	0.9
91.01898	26.1
92.02210	0.7
93.03452	1.0
96.96006	1.7
98.20723	0.7
101.02439	0.7
107.05047	0.6
108.02151	2.2
109.02965	28.9
110.03307	0.6
114.05591	0.6
121.02951	1.7
133.02979	1.1
135.00896	100.0
136.01268	1.8
137.02472	2.9
149.02412	1.1
152.01158	0.7
153.01947	98.9
154.02266	2.1
163.04022	0.9
165.01955	1.3
173.04521	1.3
175.04025	2.0
177.01962	4.2
180.04317	1.0
191.03922	0.5
191.05579	3.2
195.06645	1.3
197.06042	1.3
225.07590	0.9
226.10963	0.6
227.90729	0.5
236.53569	0.6
243.06624	8.9
267.06677	0.6
297.06155	64.8
298.06549	2.6
337.09158	0.8
405.11896	71.9
406.12195	6.3
520.09821	0.6
627.18219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03443	1.8
58.00573	0.9
59.01376	35.9
61.98825	30.6
65.45921	1.0
68.66952	0.8
69.03430	1.7
69.67090	1.0
69.73259	2.1
69.73670	3.2
71.01013	1.6
71.01380	26.2
72.99301	2.4
73.02934	6.8
75.00867	3.4
80.96502	1.1
83.01382	4.7
83.05004	1.0
85.02943	11.9
87.00851	3.4
89.02443	13.5
93.03439	3.8
95.01373	2.5
95.05002	1.2
96.96009	3.2
97.02917	3.1
97.06575	1.0
99.00842	2.5
101.02438	19.8
109.02940	1.2
111.00879	1.2
111.04511	1.1
113.02448	12.6
119.03470	3.6
119.04989	0.8
119.08601	1.0
123.89461	0.8
125.02412	3.4
133.02950	8.8
134.03705	3.7
135.04507	1.9
137.02426	2.8
137.09686	2.2
139.04007	1.0
143.03450	1.6
159.02853	0.8
161.04533	2.5
162.03166	1.7
165.11543	1.3
165.12837	11.0
173.04518	5.5
177.01898	8.8
178.02715	4.5
183.13884	63.5
184.14156	3.9
191.05594	7.3
209.11853	4.0
211.13516	2.3
221.06711	0.8
227.12889	10.8
235.08075	1.1
253.09273	1.7
275.09232	2.3
297.24371	1.0
315.25345	2.1
327.15649	1.5
327.25244	1.0
359.28345	0.9
372.37091	1.0
377.29153	1.5
397.13351	4.8
415.14655	4.1
449.14349	2.8
464.93994	0.9
505.33340	1.2
521.33270	68.6
522.33777	7.0
539.34644	5.1
565.32159	2.5
581.26392	1.0
581.35272	1.2
583.33228	2.8
607.07806	0.9
625.27002	100.0
626.27283	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	625.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03447	0.7
58.00588	1.0
59.01377	17.1
69.03448	0.6
71.01380	13.2
71.56358	0.4
72.99298	1.2
73.02940	2.0
75.00860	0.6
80.02672	1.5
81.03453	1.5
83.01395	1.6
83.05029	5.1
83.05495	0.6
84.02156	1.4
85.02946	3.0
87.00865	3.0
88.98817	0.4
89.02441	13.0
91.04002	0.3
93.03463	0.5
95.01384	0.9
95.05015	0.6
97.02930	2.0
99.00864	0.8
101.01790	0.6
101.02441	10.8
109.02887	0.3
109.06618	0.3
113.02451	4.8
119.03498	4.2
121.02948	0.4
124.01549	0.4
125.02438	4.0
125.06051	0.6
127.03948	0.3
129.01871	0.3
131.03539	0.6
133.05106	0.4
135.08148	0.5
137.02464	0.4
143.03506	2.6
147.11752	0.5
149.04572	0.8
150.03215	0.5
157.05083	0.3
161.04568	3.2
163.11272	4.6
165.05464	0.3
165.12878	3.2
167.03503	0.3
173.04529	0.7
179.05595	2.5
181.12369	1.1
183.13925	0.3
191.05670	1.5
191.10823	1.3
199.13359	1.1
209.11812	100.0
210.12141	4.6
212.44066	0.3
217.07141	0.5
221.06628	0.7
227.12869	19.7
228.13228	0.7
235.08206	4.2
253.09218	1.4
263.07718	0.5
287.07544	1.3
305.08792	1.3
323.09799	0.6
360.82593	0.3
397.13474	34.8
398.13675	2.5
403.13937	0.9
415.14523	19.6
416.14896	1.0
473.17627	0.4
484.79221	0.3
607.26257	0.5
618.18207	0.3
625.25562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61217	0.3
55.01882	0.4
57.03442	0.4
58.00591	0.7
59.01381	17.7
61.98830	4.4
69.03446	0.9
69.45408	1.1
69.45818	1.1
71.01382	13.9
71.01778	0.7
72.99303	0.9
73.02952	2.6
75.00864	0.6
80.02671	1.5
81.03084	0.2
81.03470	2.3
83.01388	1.8
83.05026	5.3
84.02158	1.2
85.02952	2.5
87.00867	2.7
88.98771	0.4
89.02445	13.6
89.90162	0.3
91.15635	0.3
93.03434	0.3
93.71037	0.3
95.01388	0.9
95.05021	1.0
96.96013	7.3
97.02963	2.0
97.06561	0.4
99.00866	0.8
101.02441	10.6
109.02980	0.5
109.06586	0.5
111.04491	0.5
113.01711	0.5
113.02460	6.1
119.03503	4.7
121.02939	0.4
125.02457	3.6
125.06087	0.6
125.09782	0.5
127.03915	0.3
131.03471	0.7
133.05077	0.3
135.08131	0.7
143.03490	2.1
147.11794	0.4
149.04565	0.6
150.03188	0.4
161.04567	2.5
163.11282	4.8
165.05724	0.3
165.12883	2.3
173.04539	1.4
179.03500	0.5
179.05603	2.6
181.12302	0.9
185.04585	0.4
191.05623	1.7
191.10777	1.3
194.05803	0.5
199.13373	1.4
209.11821	100.0
210.12155	4.0
210.14032	0.5
221.06631	0.9
225.11354	0.8
226.11548	0.4
227.12898	21.1
228.13162	0.9
235.08217	4.5
245.06659	0.4
253.09291	1.2
263.07693	0.5
263.97137	0.4
277.09314	0.5
287.07715	1.2
305.08759	1.7
323.09799	0.6
379.12747	0.6
397.13486	35.8
398.13855	1.8
415.14566	19.7
416.14923	0.9
521.33118	0.6
607.26038	0.4
625.26135	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00595	0.8
59.01377	17.1
59.48324	0.3
61.98829	0.6
68.99826	0.4
69.03450	0.4
69.39989	1.9
69.40395	0.7
71.01383	11.0
72.99310	0.8
73.02950	1.9
77.10388	0.3
83.01389	1.2
83.04976	0.3
84.33232	0.3
85.02945	2.7
87.00868	1.6
88.16029	0.3
89.02444	12.1
93.03428	0.3
95.01387	0.9
97.02950	1.6
99.00874	0.8
101.02443	10.1
111.04576	0.3
111.08165	0.8
113.02455	4.2
114.84703	0.3
116.07897	0.3
119.03508	1.7
125.02446	2.6
126.68176	0.3
131.03494	0.3
139.04007	0.5
143.03506	1.1
161.04556	2.0
165.12839	10.0
166.13322	0.4
173.04532	1.0
177.02083	0.4
179.05652	0.9
183.13887	67.3
184.14268	3.0
191.05617	0.8
209.11832	1.2
221.06642	1.0
222.45259	0.4
227.12854	9.5
228.13184	0.6
235.08217	1.4
275.68433	0.4
397.13516	4.1
415.14563	2.1
607.25562	0.5
625.27075	100.0
626.27502	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	625.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21162	0.2
55.01882	0.4
57.03428	0.5
58.00583	0.8
59.01380	16.8
60.72703	0.3
69.03452	0.7
69.28683	1.8
71.01379	14.5
72.99306	1.5
73.02946	2.5
75.00870	0.4
80.02658	1.4
81.03449	1.8
83.01392	1.6
83.05026	6.5
84.02180	1.3
85.02947	3.0
86.00083	0.3
87.00871	3.1
88.98801	0.7
89.02441	14.0
93.03441	0.9
95.01392	0.9
95.05013	0.8
96.95996	0.5
97.02933	1.8
98.19833	0.5
99.00884	1.0
101.02441	11.9
111.00862	0.3
111.04500	0.3
113.02450	5.5
119.03494	4.3
121.02961	0.3
121.45303	0.2
125.02437	4.1
125.06060	0.8
131.03529	0.6
133.05083	0.4
133.26967	0.3
135.08212	0.4
139.04002	0.4
141.01958	0.6
141.37520	0.3
143.03485	1.9
147.11772	0.4
149.02444	0.4
149.04509	0.6
150.03206	0.9
157.05069	0.3
161.04561	2.8
161.65599	0.2
163.11282	4.7
165.05537	0.7
165.12837	2.8
173.04495	0.6
179.05614	3.0
181.12326	1.0
191.05635	1.5
191.10759	1.2
193.03532	0.6
195.06628	0.4
199.13364	2.2
209.11810	100.0
210.12132	4.3
217.07141	0.5
221.06659	1.1
225.11349	0.5
227.12869	24.4
228.13240	1.0
235.08191	4.9
253.09195	1.7
263.07776	0.5
277.09134	0.4
287.07693	1.0
305.08853	1.1
323.09882	0.7
329.14111	0.4
379.12360	0.3
393.74237	0.3
397.13483	35.1
398.13635	2.0
415.14542	19.3
416.14926	1.0
439.14728	0.3
473.17966	0.7
533.20264	0.6
607.25922	0.6
625.26508	2.4
626.27185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17583	0.3
55.01877	0.6
56.09724	0.2
57.03443	0.8
58.00595	0.9
59.01382	17.7
61.98825	0.6
69.03455	1.0
71.01385	13.1
72.99306	1.0
73.02956	1.9
81.03467	0.5
83.01414	1.4
85.02954	2.8
87.00892	2.4
89.02448	13.2
91.04021	0.4
95.01392	1.0
96.96015	0.3
97.02965	2.0
97.06561	0.4
99.00897	0.7
101.02448	10.2
111.08160	0.6
111.88605	0.3
113.02450	5.0
119.03522	3.0
125.02454	2.9
131.03516	0.4
143.03502	1.0
161.04587	2.1
163.11217	0.3
165.12854	8.1
173.04510	0.4
179.05602	1.1
183.13904	61.7
184.14223	2.4
191.05629	0.5
209.11874	1.1
221.06631	1.4
227.12881	7.6
235.08203	1.4
253.09381	0.5
263.07663	0.3
365.38635	0.3
397.13516	3.9
398.14075	0.3
415.14606	3.0
477.52057	0.3
521.32532	0.4
607.27332	0.5
625.27130	100.0
626.27472	11.1
646.88129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2632
Annotation	Hanburinone
Peak:m/z	Relative Intensity
56.28576	0.6
57.03467	0.8
59.01384	3.3
59.37940	0.6
61.98822	2.1
63.28111	0.5
69.81290	1.5
69.81698	2.2
71.01396	1.7
78.95907	47.7
80.02683	1.1
81.03473	0.7
83.01386	3.4
83.05020	2.3
85.06583	0.7
93.03446	1.1
94.92539	0.7
95.05057	1.0
96.96033	3.0
96.96976	9.1
97.02927	0.8
97.06598	1.7
101.02424	0.9
123.04473	1.2
123.08124	1.6
125.06061	1.3
125.09717	4.5
137.09673	0.9
139.11314	3.1
147.96082	0.6
150.98013	0.8
151.11295	0.9
152.99585	50.0
160.03696	0.6
163.11249	3.7
165.09236	0.8
165.12851	6.4
167.10774	2.0
171.00706	1.2
173.04504	1.0
179.10678	0.8
181.12350	1.5
183.13802	1.1
191.05573	2.1
191.10791	1.4
193.15984	1.0
207.10298	1.0
209.11832	18.6
211.13312	1.2
220.05594	0.7
223.00127	4.4
223.13499	1.3
225.11308	1.5
241.01195	22.9
243.12254	0.7
247.20670	4.5
259.02216	1.7
263.20132	0.9
265.21631	1.0
273.18539	1.7
281.21259	0.8
291.19638	19.3
292.20081	0.8
309.20764	10.4
310.20847	0.9
315.04816	5.6
333.06015	1.1
353.96564	0.7
466.67139	0.7
625.26306	100.0
626.26447	10.2
626.35693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2622
Annotation	Hanburinone
Peak:m/z	Relative Intensity
57.03451	0.6
58.46175	0.6
59.01380	2.9
61.06983	0.6
61.98833	4.9
69.41302	4.6
71.01380	0.9
77.76807	0.6
78.91872	0.5
78.95900	49.0
80.91687	1.0
85.02936	0.8
86.23988	0.5
87.60665	0.5
88.23187	0.5
89.02419	0.6
93.03467	0.8
96.96017	1.2
96.96956	9.0
97.02937	1.3
98.20751	0.5
101.02443	0.7
109.99062	0.6
111.08163	3.2
113.02446	0.9
119.04978	0.6
119.08620	0.7
123.08120	0.8
137.09721	0.8
152.99586	42.0
165.12827	1.2
169.12325	2.2
171.00682	1.4
171.10222	2.5
173.04555	0.9
181.12299	1.7
191.05605	1.6
197.11816	19.7
209.11783	2.7
209.15291	1.3
211.13385	2.9
223.00089	3.2
225.11227	0.8
227.12881	0.9
239.12068	0.8
241.01180	20.9
259.02267	0.6
263.20044	1.2
265.13293	0.9
291.19678	5.2
296.48505	0.7
309.20636	9.3
315.04895	5.3
382.55344	0.6
445.19659	0.9
450.06482	0.6
537.25732	0.6
596.81189	0.6
625.26208	100.0
626.26678	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
58.00588	0.7
59.01074	0.7
59.01376	12.4
65.00323	8.8
69.03463	1.2
70.40851	2.0
71.01379	10.9
72.99305	1.5
73.02930	2.2
75.00883	3.5
83.01373	4.8
85.02948	11.1
87.00876	3.1
88.66557	0.7
89.02441	7.4
93.03454	0.9
95.01394	3.5
96.96040	1.5
97.02950	1.2
98.19948	0.7
99.00892	4.0
101.02453	4.8
103.00362	1.5
107.01386	18.6
109.02924	1.3
113.02442	17.0
114.02769	0.8
115.00416	0.8
116.92856	2.5
117.01942	2.1
119.03505	2.4
125.02448	7.0
129.01950	1.1
133.65126	0.6
134.03769	1.4
135.04518	81.5
136.04878	1.7
144.45421	0.6
151.00362	100.0
152.00674	1.9
153.12801	1.1
161.02470	2.4
161.04509	1.3
162.03226	1.0
163.11188	0.6
164.01187	0.8
165.01883	0.8
165.12794	0.9
169.01390	0.6
173.04556	1.0
174.00183	0.6
175.00305	0.9
175.02467	4.9
177.05563	1.1
179.05650	0.7
181.12399	0.6
191.05589	4.5
193.01526	1.1
199.13362	2.3
199.32181	0.6
209.11794	8.1
214.21877	0.7
225.11456	0.9
227.12875	43.2
235.08101	1.6
269.04456	0.8
275.14188	0.6
285.04044	2.3
286.04318	0.8
287.05579	48.1
288.05933	2.5
305.08841	0.8
397.13467	18.4
397.18497	1.1
398.13937	1.1
415.14523	9.2
445.07852	1.8
449.10849	48.2
450.11319	3.4
463.08713	13.7
464.09381	0.6
625.14252	41.0
625.27118	7.4
626.14343	4.4
626.28357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.4
61.98833	9.4
65.00327	0.9
67.01878	0.7
69.03465	1.1
69.87871	1.9
71.01382	7.5
72.99292	0.6
73.02962	1.1
78.95863	0.5
79.95725	0.5
80.02657	0.4
80.96522	1.7
81.03461	1.2
85.02956	1.6
87.00863	0.6
88.11418	0.4
89.02443	8.8
91.01896	16.3
93.03463	1.6
95.01398	1.5
96.96017	1.1
97.02952	2.0
99.00878	0.6
101.02415	2.0
107.01406	3.0
107.05005	0.7
108.02176	20.2
108.02917	1.0
109.02964	5.8
109.06589	2.8
113.02463	1.5
119.03513	0.4
119.05042	0.4
121.02977	1.5
123.00877	6.3
124.01640	0.9
125.02442	0.8
133.02946	0.7
134.97534	0.4
135.00887	17.3
135.04483	1.1
136.01253	0.7
137.02454	4.2
149.02437	1.8
151.00340	2.1
152.01154	20.1
153.01845	0.7
155.03441	0.6
161.02521	0.6
161.04510	0.4
163.11273	1.4
169.06577	0.5
173.04568	3.3
177.01901	1.3
181.12344	1.1
191.05597	2.5
197.06116	2.3
199.07759	0.5
207.10271	7.7
209.11797	0.4
211.13216	0.6
213.05597	1.6
215.07140	0.9
225.05521	0.6
225.11324	5.6
242.05847	2.9
243.06612	100.0
244.06946	5.2
253.09306	0.6
321.43744	0.5
327.21713	1.0
387.10901	1.8
397.13635	1.9
415.14584	2.2
447.12985	10.8
448.13187	0.6
471.11444	1.7
504.24127	0.4
519.14850	1.0
537.16132	2.9
579.17163	85.7
580.17480	9.9
623.24866	8.7
624.25531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
58.14030	0.6
59.01383	11.1
61.98574	0.5
61.98827	5.9
69.03451	0.7
71.01063	0.6
71.01392	7.8
71.25477	0.6
71.25832	0.7
72.99297	0.7
73.02945	1.2
75.00877	1.5
78.95906	29.5
80.02666	0.8
81.03445	1.8
83.01389	1.8
83.05031	1.3
85.02956	2.2
86.01649	0.5
87.00861	1.1
89.02446	5.4
91.06416	0.5
93.03468	1.0
94.43195	0.5
95.01422	0.8
95.05042	0.8
96.00449	0.5
96.95998	1.1
96.96960	5.9
97.02963	5.8
97.06549	0.8
99.00908	0.6
100.72635	0.6
101.02444	5.4
105.21703	0.5
109.06596	12.8
110.03709	1.2
111.04566	0.5
112.70277	0.6
113.02467	3.4
119.03477	1.6
121.06590	1.1
123.04530	1.7
123.08142	0.6
125.02430	1.2
125.09743	2.5
134.83723	0.5
135.04515	1.1
135.08142	2.1
136.05203	0.6
137.06036	0.6
137.09686	2.0
142.02719	1.6
143.03461	1.1
151.11234	1.1
152.99586	32.0
161.02414	0.6
161.04547	0.6
161.09715	0.8
163.10037	0.8
163.11298	9.6
165.12735	1.1
167.42751	0.5
171.00676	0.7
171.10284	0.6
173.04524	0.8
173.86751	0.6
179.05598	1.1
179.10728	0.7
181.12236	3.2
185.11761	1.8
191.05568	1.3
191.10710	0.7
191.14359	1.0
207.10255	38.3
208.10574	1.8
209.11807	8.4
217.16017	0.5
221.06717	1.0
223.00111	3.6
225.11313	31.0
226.11604	1.3
227.07124	0.5
235.08101	1.2
241.01169	13.4
243.12410	0.7
245.19121	2.5
250.33658	0.6
253.09190	0.6
259.02255	0.8
289.18073	6.5
292.60376	0.5
299.15048	1.1
307.19104	3.5
315.04654	4.8
397.13541	11.2
398.13712	0.7
415.14597	8.7
518.05884	0.6
581.34784	0.6
605.24518	1.7
612.30353	0.6
623.25024	100.0
624.25488	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.99224	1.4
59.01382	20.3
61.98833	22.1
62.01403	1.3
64.63169	1.2
69.03459	12.7
70.63979	3.1
71.01391	16.1
72.99306	5.9
73.02941	5.7
75.00835	1.7
78.95472	1.2
78.95905	5.6
79.01887	5.3
80.96505	3.9
83.01385	2.1
85.02947	6.1
87.00896	2.2
89.02438	5.8
93.03432	3.6
95.01374	4.3
96.95979	3.5
97.02945	9.0
98.49632	1.4
99.00869	8.4
101.02433	5.4
107.01394	17.7
108.02179	43.8
109.02950	8.8
109.06570	3.7
111.04488	1.7
113.02446	9.9
121.02939	5.4
123.00864	4.2
125.02453	16.8
131.03467	2.2
135.00890	36.6
135.04472	2.2
137.02452	2.6
143.03520	1.5
145.02933	1.7
149.09653	1.4
150.41942	1.4
151.00342	8.5
152.01157	100.0
152.99580	3.9
153.01782	2.9
155.03511	2.0
159.58307	1.2
161.17389	1.3
163.04016	2.2
167.10695	1.3
171.10361	2.0
173.04536	7.0
191.05627	7.7
193.51414	1.4
197.06226	1.6
207.10229	7.3
225.11372	6.2
242.05855	7.2
243.06610	53.1
244.06955	2.2
253.09285	1.7
287.22311	8.5
289.17999	6.1
292.73703	1.4
327.21634	1.6
357.08142	2.9
397.13254	2.8
405.12115	1.7
429.10257	10.8
431.26379	3.9
447.12955	17.3
449.27536	14.5
471.11389	66.4
472.11713	4.5
481.73260	1.5
519.15039	1.8
525.09857	1.5
537.16132	10.9
538.16589	2.0
563.30658	10.0
579.17114	28.7
580.17572	3.2
581.31677	12.5
623.24329	18.9
623.32855	39.4
624.32910	3.7
642.60608	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	621.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40673	9.9
69.48735	52.8
117.89452	7.0
171.10231	9.6
245.19086	17.1
277.21744	16.0
281.48108	8.0
289.18237	41.3
307.19168	100.0
325.20175	17.8
325.24393	8.3
424.29883	8.5
475.98318	9.6
543.87463	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	623.1256
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
55.01876	0.2
57.03450	0.2
59.01118	0.2
59.01382	2.6
63.02422	0.3
65.00337	0.3
67.01885	0.2
69.50024	1.4
71.01385	2.2
72.99309	0.3
73.02952	0.5
75.00861	0.9
83.01398	0.5
85.02953	2.9
87.00880	1.1
89.02463	0.8
93.03453	0.5
95.01386	0.7
96.96014	0.9
97.02973	0.2
98.95589	0.3
99.00903	1.2
101.02402	0.3
107.01394	0.8
109.02920	0.3
113.02463	1.8
115.00368	0.9
116.92850	0.8
117.01933	0.4
118.96555	0.2
121.02987	0.3
125.02392	0.3
129.01904	0.2
131.61328	0.2
133.02956	4.8
133.03911	0.4
135.04546	0.3
137.02480	0.3
149.02457	1.2
150.99184	0.3
151.00368	3.7
152.94469	0.2
153.09245	0.2
171.04459	0.3
173.04506	0.6
175.02548	0.5
175.04002	2.2
185.05911	0.3
191.05602	2.0
197.06026	0.5
198.03230	0.3
199.03993	1.8
201.01942	0.8
207.10216	1.7
211.03914	0.2
213.05527	0.5
215.03474	0.4
217.04997	1.3
225.11320	2.1
241.04968	0.8
243.03014	0.7
256.03787	0.7
257.04556	0.5
284.03268	2.8
285.04047	100.0
286.04404	5.7
297.04062	0.6
327.05008	1.5
341.06674	0.2
357.06134	0.7
397.13440	0.9
415.14508	0.5
443.06174	0.7
447.09314	9.5
448.09726	0.6
449.24313	0.2
461.07251	23.7
462.07721	2.1
503.08163	2.6
504.08185	0.2
515.08459	0.3
520.30750	0.3
522.81189	0.3
537.43518	0.3
623.12549	20.4
623.24524	1.5
624.13098	2.2
624.23395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41109	1.2
57.78098	1.1
61.98825	2.0
64.39685	1.1
71.55935	1.5
73.42486	1.1
83.17848	1.0
117.50804	1.0
121.06568	1.4
123.04543	2.6
123.08141	4.7
139.11282	1.9
142.02742	2.0
151.11282	1.8
174.53494	1.1
176.24513	1.0
199.13402	10.9
211.02921	1.1
233.15413	1.5
237.11340	1.2
245.19135	5.5
245.21327	1.0
247.17046	1.3
263.68793	1.2
277.21692	14.2
289.18060	50.1
290.18338	2.7
307.19128	100.0
308.19431	3.8
410.83578	1.3
597.50867	1.1
613.77490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	12.0
71.56113	5.2
78.67339	3.0
78.95856	3.0
96.96019	5.9
111.08181	16.6
116.86565	3.4
133.59825	3.1
152.19711	3.1
169.12344	6.8
191.05756	3.9
197.11826	49.7
198.12155	3.7
199.13513	3.0
211.13396	10.6
225.14600	3.9
243.16034	4.6
256.86200	3.4
291.19620	10.3
295.83652	3.7
309.20700	100.0
310.21051	9.8
500.05972	3.7
621.28351	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	621.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	1.1
57.57243	1.2
58.06881	1.2
59.01379	2.9
61.98820	6.9
63.56839	1.3
63.70954	1.0
69.03458	3.3
69.47366	1.2
71.10886	1.8
72.99309	2.4
78.95908	1.4
87.44047	1.0
88.98795	1.4
93.03423	1.9
96.96016	3.9
97.02953	12.0
97.06580	1.5
111.08153	1.4
119.04998	2.6
119.08656	1.5
125.09700	2.5
137.09708	3.2
139.11250	1.5
143.66454	1.4
149.06015	2.5
163.11311	2.0
165.12845	6.6
171.10274	11.5
183.13885	1.8
185.11841	1.9
193.15936	1.9
203.98991	1.1
209.11748	3.4
211.13358	3.9
223.13425	1.6
227.12897	4.1
247.20657	4.3
273.18781	1.6
291.19666	44.2
292.19992	3.4
293.21240	9.5
309.20697	100.0
310.20966	7.2
311.16519	8.1
311.21988	3.3
633.75616	1.3
648.45721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
56.91524	0.3
57.03446	2.1
57.07195	0.4
58.00596	1.4
59.01382	38.6
61.98833	4.7
67.01913	0.7
69.03436	5.2
71.01385	27.1
71.05033	1.2
71.56328	0.5
72.99309	2.5
73.02946	5.1
75.00901	1.2
80.11364	0.4
81.03479	1.2
83.01394	2.9
83.05042	1.3
85.02953	6.2
85.06597	0.9
86.00092	0.5
87.00868	4.3
87.01286	0.4
88.98843	0.6
89.02448	24.5
91.04022	0.6
93.03457	2.3
95.01382	2.3
95.05035	0.8
96.00964	0.5
96.50610	0.4
96.96014	6.0
97.02966	3.5
97.06615	0.9
98.02480	0.5
98.95569	0.4
99.00862	1.9
101.02445	21.4
101.09113	0.4
101.47176	0.3
109.02960	0.6
109.06610	0.7
111.00882	0.8
111.04555	1.1
113.02451	11.1
115.04029	0.5
116.92843	0.6
119.03500	7.2
119.04992	0.5
121.02998	0.5
122.06124	0.5
123.04539	0.5
124.01623	0.6
125.02456	7.0
125.09789	0.6
127.04058	0.4
131.03503	1.0
133.05106	0.9
135.04582	0.8
138.80792	0.4
139.04004	0.5
143.03520	3.0
146.08243	0.9
149.04631	1.3
149.09749	0.8
151.03929	0.5
153.09268	0.5
159.02950	0.6
161.04555	4.7
161.13385	0.7
163.04037	0.5
167.03430	0.5
167.10786	3.8
171.10271	1.1
173.04549	3.7
177.12895	0.6
179.03510	0.4
179.04021	0.5
179.05627	4.0
179.10817	1.6
179.14409	4.3
181.05025	0.4
185.04559	0.5
187.11186	0.6
191.05597	2.9
195.13895	12.3
196.14349	0.5
199.06007	0.5
205.12328	9.7
206.12578	0.5
209.11803	0.9
217.07300	0.5
217.09862	0.5
221.06586	1.3
223.13388	100.0
224.13762	4.3
228.87468	0.4
235.08223	7.0
251.46512	0.4
253.09288	4.3
263.07776	1.0
277.09369	0.6
277.12216	0.8
287.07718	2.0
289.18115	0.7
305.08817	2.1
306.09213	0.4
307.19077	1.0
323.09991	1.0
325.20132	5.4
326.20709	0.4
357.26648	0.5
373.25903	1.1
381.09775	0.7
397.13498	65.4
398.13879	3.4
415.14563	31.3
415.18909	0.6
416.14917	2.1
501.30594	1.8
517.30005	0.6
519.31323	0.4
535.31403	1.2
552.00061	0.4
577.32239	10.9
578.32819	0.9
579.30554	0.4
585.23218	0.5
621.27478	15.4
622.27832	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	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91401	0.2
55.01875	1.0
57.03440	1.3
58.00593	1.4
59.01377	31.9
61.08634	0.2
61.98820	1.1
64.06262	0.2
67.01900	0.5
69.03432	4.2
70.30819	0.5
71.01378	24.2
71.05028	0.8
71.15195	0.2
72.99301	1.5
73.02942	4.4
75.00872	0.6
79.80238	0.2
81.03455	1.1
83.01369	2.3
83.05049	0.4
85.02949	6.0
85.06602	0.6
86.00100	0.3
87.00873	5.1
89.02441	23.2
91.04003	0.6
93.03450	1.3
95.01396	1.7
95.05038	0.5
96.96004	3.9
97.02956	3.7
97.06551	0.3
98.95567	0.3
99.00888	1.8
99.04520	0.4
101.02441	18.7
103.00378	0.3
103.04011	0.3
108.05793	0.3
109.02978	0.6
109.06591	0.5
111.00892	0.5
111.04512	0.7
111.08157	0.3
113.02445	9.8
115.04064	0.4
119.03498	6.0
119.04931	0.3
121.02957	0.7
125.02443	6.6
125.09754	0.6
127.04019	0.4
128.90115	0.3
131.03493	1.1
133.05101	0.5
135.11763	0.3
139.03984	0.4
141.01868	0.4
143.03503	3.2
149.04526	0.6
149.09682	0.5
153.09294	0.3
155.03578	0.3
159.03012	0.3
161.04539	4.3
161.13380	0.4
163.03958	0.3
167.03419	0.3
167.10803	3.7
169.05055	0.3
171.10335	0.3
173.04514	1.5
177.12872	0.6
179.05595	4.2
179.10776	1.7
179.14384	4.3
180.14626	0.3
181.04918	0.3
185.04524	0.6
187.11195	0.2
191.05650	1.1
195.12054	0.5
195.13884	11.6
196.14218	0.6
199.06085	0.3
205.12331	10.2
217.07126	0.7
221.06596	1.4
223.13376	100.0
224.13718	5.1
235.08197	6.2
235.10406	0.5
236.08716	0.3
245.06740	0.6
253.09296	2.0
263.07669	0.6
277.09198	0.6
287.07623	1.9
305.08762	2.2
323.09698	1.0
355.17258	0.3
379.12314	0.5
397.13470	62.4
398.13773	3.7
415.14542	32.2
415.19159	0.5
416.15012	2.2
447.25940	0.7
501.31100	0.3
517.30444	0.4
561.28949	0.5
577.31720	0.3
579.30341	0.9
621.27405	12.8
622.27777	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	620.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40831	0.1
71.55687	0.1
74.69669	0.1
78.95905	0.6
79.95733	3.1
89.51128	0.1
96.96008	100.0
97.95936	0.1
98.95597	0.6
98.96371	0.1
190.13405	0.1
191.05560	0.1
265.11142	0.1
318.24908	0.1
606.75262	0.1
620.26849	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.9
59.01377	14.6
61.98826	1.8
62.46604	0.6
70.40929	1.0
70.41302	1.4
71.01371	7.5
73.02950	1.0
83.01365	0.8
85.02951	3.5
87.00884	1.6
89.02438	5.0
93.03434	1.9
95.01392	1.0
96.95995	1.8
101.02432	3.7
109.02952	2.2
112.98749	0.8
113.02430	4.7
118.44138	0.7
119.03531	1.2
119.69653	0.6
123.00871	2.8
124.01611	0.7
125.02451	1.0
135.04503	1.1
137.02429	8.0
139.04008	1.0
149.02380	0.9
151.00372	14.3
151.04012	2.5
152.01157	1.3
152.04802	2.2
161.02409	0.7
161.04550	1.5
166.02705	49.2
167.03468	3.0
173.04564	2.1
173.93471	0.7
175.02496	0.7
175.04005	0.8
177.01906	2.7
178.59860	0.8
179.05563	1.7
181.05061	66.8
182.05367	1.8
184.03735	1.3
188.70116	0.8
190.06404	1.1
191.03680	1.6
191.05608	3.5
191.12219	0.6
192.04408	1.1
193.05009	1.3
205.04973	1.1
205.08635	1.3
207.06540	0.9
211.13403	1.4
229.14273	0.7
359.11346	1.8
373.18597	2.2
387.10818	12.5
402.13058	7.0
417.15512	100.0
418.15750	7.2
517.30872	1.5
535.27686	1.5
561.20093	0.8
570.10938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13144	0.6
51.45426	0.5
53.29892	0.5
59.01395	2.9
60.99310	15.0
61.98825	1.2
66.40022	0.6
71.01381	1.0
71.56007	1.0
72.99298	1.0
78.95866	0.6
87.00880	2.1
88.00403	3.0
88.98812	100.0
89.02449	25.9
89.99149	0.6
101.02428	0.9
112.98589	0.6
121.10217	0.7
125.09775	1.0
182.03845	0.7
185.11821	0.8
193.40729	0.6
197.11876	1.1
211.13414	5.7
253.09375	2.4
291.19705	10.1
293.21069	0.7
309.20798	1.8
323.22263	7.7
450.35434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61163	0.9
57.03446	2.3
59.01380	34.0
61.98834	3.7
63.40784	0.9
70.70094	2.4
71.01382	8.9
72.99289	3.8
73.02948	3.1
75.00880	2.8
78.95914	1.0
83.01397	1.7
85.02955	5.3
87.00884	3.7
89.02441	3.0
91.50624	0.8
96.96024	2.9
99.00877	1.3
101.02444	6.6
113.02457	3.2
115.99193	1.0
124.01696	1.0
125.02433	1.4
135.04486	0.8
173.04533	2.1
191.05659	2.3
209.11768	1.0
211.20680	1.0
215.12314	0.9
239.20146	1.4
253.09232	2.5
267.19556	1.1
291.19580	1.6
309.24304	2.2
313.82578	0.9
323.22293	7.3
327.25391	34.4
328.25693	1.9
353.27008	1.8
369.59470	0.8
499.32993	4.6
515.32385	4.8
517.33270	1.1
533.33185	15.4
575.34369	100.0
576.34698	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	620.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61781	0.1
57.48189	0.1
59.01364	0.2
61.98824	0.1
71.01395	0.1
71.55690	0.1
78.95908	0.7
79.36528	0.1
79.95737	2.4
80.91687	0.1
93.03414	0.1
95.97537	0.1
96.96008	100.0
97.95967	0.3
98.95600	1.2
98.96417	0.2
101.02462	0.1
122.23618	0.1
135.34119	0.1
155.03465	0.1
173.04605	0.2
173.70653	0.1
191.05566	0.5
238.09564	0.1
258.84827	0.1
266.08017	0.1
507.32617	0.1
560.23859	0.3
594.83374	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51148	0.1
58.02954	0.1
58.60881	0.1
59.01375	0.1
59.04541	0.1
60.01669	0.1
60.27766	0.1
61.15566	0.1
61.98832	0.1
71.01374	0.1
71.12482	0.2
75.00879	0.1
78.95895	0.8
79.95738	2.7
93.03466	0.4
96.96013	100.0
97.95956	0.2
111.04514	0.1
134.03764	0.2
147.04500	0.1
150.03207	0.1
155.03468	0.2
157.94603	0.1
158.95894	0.1
164.07152	0.6
169.98276	0.1
173.04546	1.3
191.05621	0.3
192.12296	0.1
193.05072	0.3
204.64406	0.1
206.08235	1.1
209.41936	0.1
209.79376	0.1
218.18912	0.1
236.00262	0.1
332.43417	0.1
367.10297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.2
68.99570	0.4
69.36290	0.7
69.36700	0.2
78.95896	0.8
79.95735	2.9
94.98089	0.1
96.96006	100.0
97.95963	0.2
112.98564	0.4
191.05571	0.2
260.18839	0.1
408.81699	0.1
461.13184	0.1
469.70718	0.1
484.44678	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2551
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.90073	1.2
61.03760	1.3
61.98813	5.3
69.32011	9.7
99.79296	1.1
187.01321	1.2
229.51698	1.2
401.14334	2.2
415.15387	3.0
416.16406	15.5
417.16791	2.3
429.16959	1.9
430.17902	3.0
458.17484	3.2
459.18243	100.0
460.18469	9.6
473.19672	14.0
474.20377	6.1
501.19742	1.9
503.17297	2.5
518.19586	46.3
519.19836	4.8
532.21185	8.8
533.21893	89.9
534.22296	10.6
587.22919	5.3
619.25580	90.2
620.25970	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	619.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
60.99308	15.7
61.98840	1.3
64.70563	0.4
67.36076	0.3
70.83757	0.7
70.84126	0.7
71.01374	1.3
72.94343	0.4
78.95893	0.7
87.00878	3.2
88.00414	4.1
88.98808	100.0
89.02444	28.2
89.03011	0.9
89.99158	1.0
93.03454	0.6
96.96014	0.6
99.65453	0.4
103.91937	0.4
111.09679	0.3
145.26559	0.4
149.06067	0.6
152.99547	0.5
164.60779	0.4
177.05482	0.4
189.05537	1.0
191.05545	1.2
209.11745	0.4
253.09218	0.9
291.19873	0.4
293.21198	1.4
309.20636	0.4
323.22327	2.1
539.74841	0.4
575.34302	0.9
583.21747	0.5
618.77179	0.8
636.49475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.55126	1.3
71.55540	1.1
125.13709	1.0
129.96889	1.0
130.18182	1.0
132.50502	1.1
175.08801	1.1
179.10753	1.2
222.13550	0.9
255.23323	1.9
297.15521	1.1
416.80576	1.2
553.37506	6.0
624.05188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2618
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
57.38851	0.7
57.86205	0.6
59.01389	3.2
61.98823	1.9
68.99561	1.0
69.34916	4.0
71.01377	2.0
73.02950	1.1
84.04529	0.9
85.02914	0.9
87.35996	0.6
89.02429	1.2
89.13004	0.6
93.03455	1.9
94.02956	0.9
94.06624	1.4
95.03734	1.2
96.08214	0.8
96.96015	3.1
97.01679	0.7
99.00856	1.7
101.02441	0.9
106.06613	3.7
107.03799	0.8
108.04556	2.5
108.08197	20.3
111.04511	0.7
112.98575	1.6
113.02447	1.0
119.05028	1.0
120.04574	1.6
121.05297	0.8
122.06134	10.5
124.07683	8.3
132.04556	52.1
133.05345	18.0
134.06134	16.1
135.04568	0.9
138.05580	0.8
145.02979	2.3
148.04088	3.8
148.05077	0.7
149.04800	2.6
150.04449	1.1
150.05608	22.8
152.07199	1.6
161.04672	1.0
162.05656	4.9
165.04308	33.6
166.04712	1.5
171.10321	1.0
173.04521	4.7
176.07201	1.9
185.67677	0.7
186.05583	0.6
186.09244	2.0
191.05614	1.9
198.09251	1.1
199.05028	0.6
212.05666	0.7
212.10732	2.1
213.06714	1.7
213.10265	0.7
213.14032	0.6
214.12413	4.8
215.11874	9.4
225.06502	0.9
225.10138	0.6
226.07513	1.1
227.08209	2.7
227.11942	1.3
228.09021	0.8
229.09836	5.1
229.13394	2.8
238.11034	1.0
239.08267	1.4
239.11879	2.2
240.08687	0.8
240.10222	3.0
241.09818	7.6
241.13431	1.7
253.09673	1.1
253.13414	2.5
255.11414	6.8
257.12952	73.8
258.13205	3.8
265.09631	0.7
267.11444	1.4
268.08774	0.9
268.11948	0.8
269.12939	1.4
270.13510	1.1
271.14508	10.7
281.13019	1.0
283.10883	24.7
284.11221	1.5
300.11142	1.9
301.11942	26.9
302.12238	1.3
315.13580	1.5
327.09827	4.1
392.19766	1.9
393.17175	0.8
404.19989	1.4
410.34918	0.7
436.18549	1.8
443.22635	0.9
448.18973	1.1
555.26251	1.5
557.24005	25.7
558.24371	2.6
571.25195	1.3
573.25409	1.0
579.80731	0.6
581.23810	1.3
595.57184	0.7
599.25085	100.0
600.25537	10.1
617.26141	72.0
618.26477	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	615.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40648	11.7
59.01365	34.4
61.98830	32.3
65.82281	11.8
66.02321	10.6
69.37605	62.6
69.38027	31.1
71.01382	47.5
84.50095	10.1
96.96004	31.1
99.00845	17.1
101.02451	14.4
109.06577	20.0
113.02426	21.5
115.07658	49.7
146.23744	12.6
147.90977	11.0
163.11217	14.7
171.10216	67.1
173.04497	27.9
197.02914	12.0
199.09709	68.1
201.11334	13.9
207.10252	100.0
209.11780	73.9
225.11205	65.7
227.12831	30.8
253.09311	78.8
307.46237	12.0
387.71802	11.8
403.15463	14.8
435.18768	38.6
461.20422	56.3
471.82187	11.8
546.65021	12.8
615.27448	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58763	0.3
61.98834	1.0
63.24245	0.2
78.79176	0.3
78.95901	0.8
79.95732	2.4
89.63473	0.3
96.96005	100.0
152.99553	0.5
165.99289	0.3
198.33282	0.3
273.76654	0.3
293.81805	0.3
313.59540	0.3
365.27139	0.4
396.36789	0.3
606.92657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61354	0.7
55.01841	0.7
56.42576	0.7
57.18906	0.6
59.01376	16.7
61.98846	0.7
65.88309	0.6
69.99616	3.3
71.01372	9.1
72.99294	1.5
73.02938	8.9
82.97623	0.8
83.01365	4.8
85.02953	1.8
86.22376	0.8
87.00877	2.6
88.98785	0.8
89.02428	1.7
93.03444	2.2
96.14171	0.8
96.96010	16.2
99.00877	4.7
100.01660	2.7
101.02409	6.5
108.26804	0.7
109.02940	1.0
111.00882	8.1
113.02438	2.3
113.99588	37.5
115.00371	20.9
128.01161	3.0
139.00371	2.0
143.03513	0.8
156.00638	38.7
157.01270	1.4
161.04558	1.8
167.01996	0.9
173.04549	2.5
174.01680	100.0
175.02419	6.2
191.05602	5.1
227.09627	0.8
234.10548	0.7
287.16522	1.9
341.71777	0.6
387.18671	0.8
471.22287	2.0
509.24203	1.0
511.21890	14.4
512.22168	1.0
553.22766	1.5
615.26392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.9
60.66326	9.7
64.43327	10.2
69.91289	37.6
71.01374	46.0
80.23132	8.0
82.95429	16.7
85.02963	8.1
87.00915	9.3
89.02467	16.1
101.02440	12.4
107.41980	8.0
109.06630	25.1
113.06125	23.5
142.15247	8.6
163.11302	11.1
171.10289	27.6
173.04651	10.5
199.09796	88.6
201.11342	14.1
202.54523	8.9
207.10234	100.0
208.10690	9.1
209.11859	58.3
213.69418	7.8
225.11325	65.1
227.12814	22.4
253.09352	77.9
435.18564	53.9
443.16739	11.9
461.20117	42.3
462.21069	21.3
496.05188	8.7
527.39954	9.6
613.26672	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1077
Annotation	dCMP dimer
Peak:m/z	Relative Intensity
51.64725	0.1
55.90008	0.1
66.92519	0.1
69.62897	0.1
69.69501	0.1
71.01375	0.1
75.07071	0.1
78.95882	0.5
79.95732	2.6
86.98090	0.1
96.96008	100.0
97.95956	0.1
163.03967	0.2
191.05632	0.3
208.45752	0.1
283.36877	0.1
289.87827	0.1
337.98148	0.1
441.64636	0.1
613.10974	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.29749	0.7
57.03434	2.8
58.00574	1.0
59.01379	13.9
60.99316	0.7
61.98820	4.2
67.01911	1.6
68.99831	1.4
69.81109	3.8
71.01380	12.9
72.99302	3.1
73.02950	1.7
75.00873	5.8
78.95898	0.8
83.01382	1.4
83.05012	1.1
85.02948	22.7
87.00870	5.3
88.98791	2.1
89.02437	3.6
93.03458	6.5
95.01399	5.7
95.55479	0.7
96.95995	6.7
99.00884	8.2
101.02440	1.6
103.00383	4.5
107.01450	0.7
107.49502	0.8
109.02950	1.0
111.00835	1.5
111.04526	2.2
112.65804	0.8
113.02449	45.0
115.00359	2.7
116.97717	0.7
117.01933	2.5
119.04982	2.3
121.02921	1.1
129.01924	2.8
130.08752	1.8
135.04533	1.7
137.02455	0.9
143.92055	0.8
145.03052	0.8
146.03731	0.7
151.00348	2.2
155.03520	1.8
157.01393	0.9
161.02419	1.4
163.04015	1.2
173.04549	18.3
175.02489	13.9
175.03954	1.3
175.07701	0.8
187.07700	0.9
191.05606	13.4
191.07181	1.3
199.03978	0.8
202.98726	0.8
214.06299	0.8
227.03525	2.2
253.08783	2.9
255.02985	44.7
256.03754	32.8
257.04095	1.5
275.09088	0.8
281.71973	0.8
283.02481	50.7
284.03244	100.0
285.03918	15.6
289.12762	0.8
291.52518	0.8
297.04004	1.7
298.04733	1.6
307.06210	1.8
307.46548	0.9
339.28137	0.7
359.18787	0.7
363.05304	0.8
379.04517	1.1
389.16156	1.5
398.06274	1.3
403.17752	1.1
407.04181	7.0
408.44766	0.7
422.06522	5.0
423.07166	5.9
437.08755	73.3
438.09140	5.1
439.13980	6.6
439.19510	1.4
456.06982	2.0
457.07523	1.1
474.08133	8.8
475.09094	1.9
583.37872	1.9
595.23969	2.1
612.33118	1.2
613.11945	9.8
613.22784	2.2
613.39465	2.5
614.12225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99400	0.4
57.03448	0.8
59.01366	1.4
61.98816	0.4
70.84510	0.4
70.84833	0.8
78.95896	43.2
80.91685	1.8
95.05103	0.4
96.96957	8.4
97.06601	0.7
97.62429	0.4
113.09705	1.6
133.11804	0.4
140.61023	0.4
150.98029	0.6
152.99577	53.3
165.94029	0.4
171.00623	1.7
179.14354	0.9
181.12392	0.8
195.13902	13.7
196.14172	0.7
211.21036	0.4
223.00111	6.7
241.01175	17.6
253.09236	1.8
259.02228	1.5
275.06271	0.9
277.21710	13.8
278.22131	0.7
293.21231	3.8
295.22763	46.0
296.23093	3.1
308.31577	0.5
315.04877	6.7
333.05954	0.8
445.09106	0.4
611.28290	100.0
612.28662	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	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01370	1.1
59.67304	0.5
60.07127	0.4
61.98827	0.8
62.58720	0.4
66.71436	0.4
69.24393	1.5
69.24816	2.4
69.53519	0.4
78.95905	46.6
82.95423	0.8
93.03414	0.4
96.96968	10.8
110.66183	0.4
113.09719	0.8
116.97261	2.5
126.33414	0.5
152.99591	39.4
171.10284	3.9
173.04472	0.5
179.14368	0.7
184.61687	0.5
191.05594	1.0
195.13916	10.5
196.14244	0.4
209.11819	1.0
211.13322	0.6
223.00052	1.9
241.01187	22.4
242.01457	0.5
259.02316	0.8
266.80267	0.4
277.21713	12.7
278.22064	1.1
293.21155	0.7
295.22772	29.2
296.23233	1.7
301.30322	0.4
315.04871	5.6
319.77832	0.5
431.21973	3.7
449.23221	0.5
525.25299	0.5
611.28339	100.0
612.28717	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	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18288	2.1
70.52145	0.2
72.87883	0.2
78.95892	0.8
79.95735	2.9
96.96007	100.0
97.95911	0.2
98.20667	0.4
150.41457	0.2
186.50662	0.2
253.78148	0.2
277.21674	0.2
293.58267	0.2
293.62036	0.2
320.41251	0.2
351.06009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42767	0.2
61.98829	0.3
70.78622	0.6
78.95894	0.9
79.95730	3.6
96.96004	100.0
97.95961	0.3
104.33122	0.2
112.60992	0.3
156.84975	0.2
158.55687	0.2
201.21165	0.2
277.21796	0.4
298.52408	0.2
319.98868	0.3
585.38672	0.3
619.22864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	1.2
63.75932	1.0
66.33192	1.0
66.40694	1.0
67.16088	1.1
70.58004	1.0
70.59577	2.6
72.76327	1.1
97.23686	1.1
113.13129	1.1
133.25241	1.1
187.68126	1.0
244.84985	1.0
279.23291	100.0
280.23639	6.3
297.15457	1.0
342.32892	1.1
368.44684	1.1
471.41425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80172	0.5
55.39335	0.5
57.03451	0.6
59.01367	1.3
61.98826	5.5
63.79650	0.5
63.96237	0.6
69.23421	0.7
69.23815	4.2
71.01380	6.0
72.99323	0.5
73.02940	1.4
78.95894	2.8
78.98587	5.0
79.95729	7.3
80.96512	47.8
81.03429	0.9
83.57049	0.4
83.78277	0.5
85.02934	2.3
87.00839	2.4
94.98084	12.0
95.01375	0.6
96.95997	1.6
96.96979	0.5
97.02924	1.0
101.02444	2.0
106.98075	2.7
113.02386	0.5
121.02889	0.6
122.97584	3.8
125.02477	2.6
127.04032	0.9
128.03450	0.6
128.22260	0.5
134.97557	4.4
136.99115	1.1
148.99136	5.0
152.98608	4.3
152.99649	1.4
164.98607	9.3
169.22951	0.5
173.04543	1.0
175.38397	0.5
182.99637	2.0
191.05574	0.8
206.99632	2.1
225.00711	17.1
241.01134	0.5
243.01811	1.3
245.11565	0.5
283.26459	0.5
293.21301	1.1
294.21555	0.5
295.22070	0.5
299.04257	3.0
311.22141	0.8
379.24670	0.5
388.54834	0.5
421.76791	0.6
611.27362	100.0
612.27643	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36258	0.5
69.32158	1.4
69.32570	3.7
71.98068	0.5
78.95884	1.0
95.05025	37.1
103.06271	0.5
107.67033	0.5
111.04557	0.6
111.08147	0.6
111.25702	0.5
134.95720	0.6
150.02985	1.1
161.55916	0.6
167.10762	0.6
179.14371	1.2
189.05246	1.2
195.13901	10.3
196.14607	0.7
205.12302	1.4
211.13354	1.1
223.13351	8.2
228.13654	0.9
246.12291	14.2
256.13135	1.0
275.20160	4.7
278.11328	68.5
279.11707	2.6
290.53165	0.6
293.21216	100.0
294.21521	4.2
311.27954	0.6
315.19391	30.1
316.19815	1.5
393.74420	0.7
462.13733	0.6
572.31909	2.3
609.41412	18.4
610.41638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	0.5
59.01367	1.1
61.98830	10.2
63.69659	0.6
63.96244	1.2
71.01379	5.3
73.02935	1.8
78.98606	4.7
79.95729	9.8
80.96514	58.6
81.03443	1.1
85.02966	2.6
87.00871	1.6
94.98084	13.4
96.78452	0.5
96.96021	1.1
97.02924	1.3
101.02435	3.0
106.98074	2.7
113.02444	0.6
117.56692	0.5
122.97593	4.2
125.02443	2.7
127.03952	0.6
134.97577	4.0
136.99127	1.1
145.02933	1.9
148.99121	5.2
152.98643	6.6
164.98633	10.3
173.04544	0.6
182.99654	1.9
191.05580	1.0
197.11786	1.0
197.69160	0.5
206.99683	2.7
211.13293	1.2
225.00729	17.8
226.01088	0.7
235.85100	0.5
243.01721	1.7
264.46759	0.6
299.04321	2.3
405.22739	1.1
609.25830	100.0
610.26135	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	609.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08731	1.0
57.03443	3.8
59.01376	63.5
71.01376	21.0
72.99306	1.7
73.02943	7.8
83.01406	3.8
84.24898	1.3
85.02954	12.8
87.00881	2.8
89.02450	6.1
93.03455	2.0
95.01394	4.2
96.95983	2.3
99.00884	2.6
101.02435	12.1
113.02444	16.4
119.03500	2.7
143.03503	2.3
159.02948	1.2
161.04597	1.9
162.03265	1.5
173.04553	3.0
191.05669	2.6
201.15221	1.6
211.13374	7.0
241.55566	1.1
359.27988	1.6
361.29562	8.2
365.18359	1.3
397.13403	3.5
415.14313	1.9
505.33783	100.0
506.34085	7.2
523.34778	22.8
524.34833	2.0
565.36102	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	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.4
58.00597	0.9
59.01381	61.4
59.60471	0.8
61.98818	2.9
68.18388	0.8
69.03465	1.0
70.56654	2.5
71.01011	1.4
71.01383	19.7
73.02955	5.7
81.03443	1.4
83.01391	2.4
85.02950	10.4
87.00858	2.6
87.04520	1.0
89.02435	5.2
95.01378	3.1
96.96012	2.0
97.06573	1.1
99.00880	3.0
99.08189	0.8
101.02448	8.9
104.13861	0.8
109.06598	1.2
111.04485	1.0
113.02456	12.9
117.03439	0.8
119.03513	1.6
119.05039	1.2
122.52778	0.8
125.02444	2.0
135.04462	0.9
143.03549	1.1
161.04517	3.1
171.13866	2.1
173.04532	3.1
174.05066	1.0
187.13412	1.6
191.05547	3.2
195.03018	1.1
201.14926	2.7
211.13414	5.5
212.43146	0.9
217.14389	1.0
223.06059	3.0
278.36908	0.8
315.25348	1.1
345.76242	0.9
358.28012	0.9
359.28027	2.1
361.29559	11.8
362.29828	1.0
397.13275	2.1
415.14340	1.9
498.62708	0.9
505.33817	100.0
506.34274	7.1
523.34760	17.4
535.21149	1.5
547.13928	0.9
565.35913	7.7
609.28949	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	609.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98831	16.5
63.96231	1.1
65.96071	0.3
69.03464	0.8
69.27715	1.1
69.28130	2.1
71.01388	5.9
73.02932	1.8
78.98601	3.9
79.95734	9.5
80.96517	50.9
81.03441	0.5
83.01356	0.4
85.02950	1.9
86.65018	0.3
87.00872	2.1
89.02451	0.5
91.04037	0.4
93.03451	0.5
94.98093	12.8
96.95995	0.9
97.02951	1.2
99.00861	0.4
101.02457	2.8
106.98095	2.1
111.08129	0.4
113.02441	0.7
122.97604	4.1
125.02468	2.6
127.04027	0.8
128.83855	0.3
133.02940	1.2
134.03729	3.1
134.97568	3.2
136.99120	1.2
137.02443	0.4
148.99136	4.4
151.43231	0.3
152.98634	6.4
161.61378	0.4
164.97319	0.7
164.98631	9.9
167.00151	0.4
173.04501	1.1
177.01889	1.1
178.02715	1.3
182.99655	1.8
191.05618	0.5
192.04250	3.6
197.11870	0.7
206.99683	2.4
211.13412	0.5
225.00746	15.4
226.01035	0.5
243.01785	1.8
291.19662	0.5
299.04468	2.5
403.17520	1.0
411.85095	0.4
435.20251	5.7
609.25854	100.0
610.26166	10.0
620.18530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03448	1.1
58.00581	1.2
59.01377	100.0
60.01709	0.7
61.98834	1.5
67.01885	0.4
69.03452	1.9
71.01379	41.3
71.56419	0.5
72.99308	2.1
73.02943	48.8
74.03293	0.8
75.00876	1.2
81.03474	0.5
83.01383	15.3
85.02937	6.4
86.02469	0.4
87.00874	3.5
89.02441	11.7
93.03460	2.1
95.01406	2.5
95.05051	0.6
96.96018	1.5
97.02967	1.5
99.00890	1.1
99.04567	0.4
101.02439	47.6
102.02784	0.9
105.01956	0.5
105.03477	1.7
108.02195	1.0
113.02443	17.7
117.03497	1.5
119.03509	5.0
119.05014	0.9
121.02970	1.2
122.03755	1.7
123.04556	1.4
124.64803	0.4
125.02445	2.4
131.03503	4.2
133.02950	1.3
134.03755	0.5
135.04498	0.7
137.02415	0.5
143.03490	4.6
145.02931	4.9
146.03758	1.7
147.04533	2.4
149.02460	3.6
149.04543	4.6
150.03221	9.1
151.04016	5.1
155.03508	1.5
160.49655	0.4
161.02448	22.3
161.04512	9.5
161.05951	0.4
162.03223	29.3
163.03664	1.1
164.04871	1.4
165.05554	9.4
166.05896	0.4
168.00575	0.4
172.45424	0.4
173.04567	1.8
175.04071	0.5
176.04774	8.4
177.05554	21.1
179.03493	27.8
180.04172	1.4
189.02121	0.5
191.05626	2.4
191.07182	3.2
193.04959	0.5
194.05829	24.3
195.06613	7.8
195.08339	0.6
203.05664	0.9
209.08188	37.1
209.11850	1.9
210.08519	1.6
210.12126	2.0
211.13377	1.3
219.02966	0.8
219.06689	1.7
221.06717	1.3
243.10249	0.8
261.07663	0.4
269.04474	0.5
277.84070	0.4
304.41205	0.5
339.10959	1.4
347.93100	0.5
357.13388	6.4
362.91449	0.4
369.13611	0.6
397.13510	1.1
398.13562	0.6
399.13892	1.2
415.14630	0.9
435.10977	1.4
504.28250	0.5
505.28613	1.8
549.30182	0.5
565.24738	0.9
575.20001	0.4
609.16357	1.2
609.28094	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	609.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80900	0.2
59.01379	6.8
61.90983	0.2
61.98819	0.4
69.03459	0.3
69.27803	1.5
71.01380	2.4
73.02945	0.6
74.02464	0.8
78.95906	0.4
79.19009	0.2
79.95737	2.4
83.01389	0.3
85.02953	0.7
85.82797	0.2
87.00854	1.0
88.98832	0.2
89.02457	1.0
93.03451	0.4
95.01359	0.4
96.96011	100.0
97.02927	0.3
99.00877	0.4
101.02444	1.2
105.82772	0.2
111.00880	0.3
111.04533	0.3
113.02441	1.5
119.03494	0.3
119.05029	0.9
125.02486	0.5
132.97214	0.2
135.04559	0.5
143.03487	0.4
152.99586	0.3
161.04543	0.5
163.04025	0.9
171.10329	0.3
173.04565	1.3
179.03462	0.4
183.13992	0.5
191.05600	1.7
211.13380	5.1
273.11322	0.6
361.29605	0.6
397.13431	3.0
415.14511	1.3
447.13870	0.2
504.32736	0.2
505.33807	6.9
506.34457	0.3
523.34930	1.2
565.36316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.41217	0.5
58.00585	1.7
59.01375	100.0
60.01711	0.6
61.98831	1.5
69.03458	1.3
69.24651	4.8
71.01378	42.5
72.01702	0.8
72.05904	0.7
72.99319	1.7
73.02942	53.2
75.00870	1.6
79.95743	0.5
81.03432	0.8
83.01379	16.9
83.05067	0.5
85.02933	7.2
86.02522	0.8
87.00861	3.5
89.02439	9.0
93.03489	1.9
95.01365	2.6
95.05048	0.9
96.96021	3.1
97.02949	1.2
98.19857	1.0
99.00920	1.5
101.02435	48.0
102.02808	0.8
105.03502	1.0
108.02212	1.4
111.00872	0.9
113.02448	19.4
117.03458	1.5
119.03506	4.3
119.05016	0.8
121.02946	1.3
122.03762	1.5
123.04545	1.2
125.02469	2.2
131.03511	4.7
133.02998	2.1
134.03778	0.9
135.04552	1.4
143.03505	4.1
145.02934	5.4
146.03712	1.5
147.04529	1.9
149.02423	4.7
149.04482	4.3
150.03221	11.8
150.04364	1.0
151.04004	5.1
152.78291	0.5
153.01961	0.8
155.03506	2.6
161.02438	23.3
161.04518	10.6
162.03215	29.1
163.03580	1.1
164.04828	1.9
165.05557	9.6
173.04573	1.9
176.04762	9.0
176.06126	0.9
177.05554	21.7
179.03481	31.1
180.04195	1.8
180.79514	0.6
191.05629	3.9
191.07204	3.0
194.05821	27.2
195.06609	8.7
196.07027	0.6
200.65385	0.6
203.05692	1.5
209.08173	42.0
210.08488	1.4
211.13394	1.9
219.02971	1.0
219.06720	0.8
221.06670	1.0
271.05249	0.8
339.10992	1.9
342.11133	0.9
357.13434	8.4
397.13611	1.2
399.13672	1.0
405.15851	0.7
415.14166	0.8
435.10876	1.3
504.28265	1.8
505.28445	4.5
519.31110	0.6
523.29578	0.7
536.30780	0.8
537.31665	1.7
565.25262	1.7
609.14398	0.7
609.28064	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	609.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48118	0.9
52.26310	1.0
57.03424	1.4
59.01372	5.3
60.99291	1.2
62.35324	1.0
67.01882	3.9
69.03461	1.4
71.01384	5.6
71.55417	1.0
71.55815	1.6
72.99303	1.2
73.02934	1.2
74.33759	0.9
81.03430	1.2
83.01405	1.4
84.95097	1.1
85.02953	2.4
87.00874	1.9
88.98798	3.3
89.02437	3.5
93.03450	23.4
96.95995	2.5
97.02962	1.3
101.02430	2.1
102.29040	1.1
103.55573	1.1
104.54539	1.1
109.02976	1.6
111.00862	1.2
111.04528	4.4
113.02439	2.5
119.05038	13.4
125.02502	1.7
133.02965	4.7
137.02423	3.8
155.03506	4.0
161.04582	1.3
163.03979	18.6
165.01917	1.2
173.04533	100.0
174.04900	1.3
175.03941	1.6
191.05603	3.9
193.01285	1.3
209.11812	3.9
225.05565	1.2
227.07085	1.0
284.03259	4.3
285.03918	4.3
297.04034	7.7
298.04736	6.8
299.05536	9.0
311.05380	1.3
313.03598	1.6
325.03598	1.4
327.05032	46.0
328.05228	2.5
337.09232	35.6
338.09521	1.3
339.05023	1.3
357.06155	12.2
367.82101	1.3
369.06125	2.5
447.09241	32.7
448.09644	2.8
489.10443	5.7
519.11200	1.2
545.46973	1.1
549.25446	2.2
609.14636	18.3
610.14691	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
60.39944	0.4
60.99313	0.8
61.70988	0.4
61.98818	0.6
65.00320	0.7
69.93219	1.8
71.01387	2.3
72.99357	0.4
73.02950	0.6
75.00873	1.0
79.01904	0.6
85.02949	1.7
87.00866	6.0
88.00393	1.0
88.98808	4.5
89.02438	1.4
93.03431	0.5
96.96007	1.3
97.02953	0.9
101.02441	2.0
103.00386	1.3
105.01936	0.7
107.01385	0.8
109.02951	1.7
111.00892	0.7
113.02442	2.1
119.05011	0.5
121.02941	1.7
125.02412	1.4
127.24508	0.5
132.02203	0.5
133.01974	0.3
133.02946	8.1
135.04503	1.6
145.03056	0.5
147.04526	1.4
149.02455	1.2
151.00330	0.8
151.03944	0.5
160.76642	0.4
161.02403	1.0
163.00391	1.4
163.03975	2.7
164.07242	0.7
165.01907	2.4
173.04437	0.9
175.02612	0.6
175.04004	2.7
177.01912	0.8
178.99905	0.6
179.03510	0.7
179.07202	0.6
191.03546	1.8
191.05620	1.8
193.01427	1.3
199.03958	1.7
201.01869	1.4
203.03366	0.5
209.11794	1.8
210.12146	1.3
211.03973	0.5
211.13318	0.8
213.05579	1.0
219.02928	0.7
240.04179	0.9
241.04964	0.7
243.02893	0.9
253.05096	1.5
255.02951	0.8
255.06624	0.7
266.64474	0.4
268.03598	1.1
269.04498	2.6
270.04810	1.6
271.05270	0.7
284.03281	8.1
285.03992	9.3
297.04037	15.8
298.04761	9.1
298.07932	0.7
299.05576	18.5
300.06030	0.6
309.04080	0.7
311.01892	1.4
311.05576	2.9
313.03543	8.8
313.07159	0.4
314.03839	0.5
324.02655	0.5
325.03485	1.7
327.05063	100.0
328.05389	5.5
339.05060	3.0
341.06573	0.5
357.06110	23.8
358.06403	1.0
359.74908	0.5
360.23935	0.9
369.06107	2.6
388.47583	0.4
393.06107	1.2
397.13266	0.9
399.06909	0.5
399.14511	0.7
429.08801	0.5
433.10257	0.9
445.88431	0.4
447.09277	51.6
448.09796	3.3
452.50034	0.5
462.01685	0.4
489.10342	6.3
491.15137	0.6
609.14532	57.4
610.14746	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	609.146
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
51.79657	0.4
59.01379	6.8
60.01706	0.4
61.98833	0.9
69.42064	0.4
69.46634	2.7
71.01381	3.9
72.99315	0.9
73.02950	2.1
76.34108	0.4
80.16087	0.4
83.01395	0.9
85.02953	1.2
87.00876	1.3
89.02450	1.8
90.77398	0.4
93.03471	2.2
96.96011	13.7
99.00865	0.6
101.02450	2.1
103.00407	0.5
107.01381	0.7
109.02943	0.7
110.66723	0.4
111.00841	0.6
111.04529	0.5
113.02461	2.0
119.03455	0.5
119.05025	0.5
121.02985	0.5
124.24458	0.4
125.02346	0.5
127.00379	0.6
127.04073	0.4
133.02931	2.7
135.04494	0.7
137.02412	0.5
141.80687	0.4
145.01466	0.6
146.03737	1.0
147.04515	0.9
148.01675	0.6
149.02419	1.0
151.00383	3.1
155.03487	0.4
159.04506	0.5
161.04579	0.8
161.05965	0.4
164.04753	0.5
165.01872	0.4
173.04575	3.9
174.03249	0.4
175.04019	1.7
177.01897	0.6
179.03436	0.8
179.07036	0.9
191.05614	3.8
195.06648	0.8
199.03998	1.5
209.11861	0.9
210.12193	0.6
211.13425	1.1
217.05103	2.0
219.02974	1.3
225.07771	0.5
227.03494	0.6
234.72769	0.5
243.02946	1.3
255.03014	6.5
256.03760	2.0
261.04163	0.7
271.02618	2.1
283.02444	1.8
284.03247	30.1
285.04034	100.0
286.04340	4.6
300.02756	4.0
327.05103	1.7
375.14581	0.6
397.13486	0.8
415.14407	0.5
435.09970	1.6
446.08890	0.8
447.09302	92.1
448.09598	5.8
477.62515	0.5
549.25140	0.7
564.29633	0.5
565.29529	1.4
609.14642	18.8
610.15247	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39228	0.3
59.01384	3.2
61.98833	0.5
63.66863	0.3
65.00326	0.4
69.53200	2.3
69.81836	0.4
70.10732	0.3
71.01380	2.4
74.66819	0.3
83.01412	0.5
85.02969	0.8
87.00880	0.7
88.98815	0.5
89.02456	2.2
89.58255	0.3
89.99632	0.3
93.03458	0.7
96.96018	2.8
101.02430	0.9
107.91138	0.4
109.02951	2.6
113.02446	0.7
119.03522	0.8
119.05013	0.7
121.02971	0.4
133.02965	9.7
133.06551	0.4
134.03772	0.8
135.04527	2.1
137.02414	0.7
145.06212	1.3
147.04475	0.9
149.02448	1.2
149.06152	0.5
151.04008	0.9
159.04483	0.6
161.02480	1.1
161.04604	0.4
161.06065	0.9
162.03253	0.4
163.04047	1.2
165.01958	0.4
173.02486	0.4
173.04630	0.8
175.03970	2.5
177.01880	1.9
177.05563	1.1
179.03513	0.8
179.05632	1.0
189.01953	0.6
189.05592	0.8
191.03488	1.5
191.05618	1.2
199.04041	0.5
201.01996	1.1
203.03462	2.0
205.01418	0.9
205.05023	1.0
209.11761	0.6
213.05519	1.0
217.05089	0.7
219.02940	0.6
221.04669	0.5
225.05533	0.6
227.03485	0.5
229.05179	0.6
233.04546	0.9
235.02489	0.5
238.06381	0.5
239.07083	0.8
241.05029	0.6
245.04570	0.6
251.07220	0.4
253.05074	0.6
254.05853	0.6
255.02936	1.1
257.04529	0.9
265.05157	0.4
267.06717	1.0
268.59167	0.4
269.04523	0.6
282.05399	0.6
283.02512	0.8
283.06113	1.6
284.03406	0.6
284.06726	0.6
285.04019	1.5
295.06177	0.7
297.04047	3.5
298.04831	8.6
299.05588	4.0
309.04095	1.5
310.04758	1.0
311.05594	6.7
312.06418	8.4
313.07144	8.3
323.05719	2.1
324.06210	0.5
325.07159	1.5
327.05106	8.3
328.05246	0.5
339.05121	11.8
340.05618	0.9
341.06693	6.4
344.05374	1.0
351.05005	1.4
353.06622	3.1
357.06110	2.4
365.06641	0.6
367.04367	0.7
369.06140	48.9
370.06497	2.3
371.07776	1.3
381.06216	5.4
383.07660	1.4
395.07837	0.4
397.05591	0.9
399.07217	33.0
400.07507	1.5
411.07300	4.8
413.08557	0.5
423.07541	0.7
425.08707	0.4
429.08279	6.7
435.06894	0.5
441.08191	2.2
447.09613	1.8
453.08267	0.6
459.09479	0.8
471.09418	2.4
489.10391	31.0
490.10822	2.1
501.10748	0.7
519.11389	8.8
520.11981	0.5
573.12762	0.5
591.13257	1.8
609.14600	100.0
610.14832	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	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75626	0.1
57.18626	0.1
59.01379	0.8
61.98831	100.0
63.96240	0.1
68.16116	0.1
69.22155	1.2
71.01394	0.7
73.02965	0.2
78.98606	0.3
79.95740	0.7
80.96516	3.7
85.02955	0.3
87.00891	0.4
93.03490	0.2
94.98080	0.8
96.96024	0.3
97.02962	0.1
100.82346	0.1
101.02465	0.3
106.98148	0.1
109.35520	0.1
113.02512	0.2
122.97594	0.4
125.02457	0.2
134.97617	0.2
148.99095	0.2
152.98653	0.4
164.98618	0.8
173.04556	0.5
178.04056	0.1
183.40657	0.1
191.05620	0.2
197.11790	0.2
199.14641	0.1
206.99719	0.2
210.75726	0.1
211.13451	0.4
225.00710	1.1
235.35075	0.1
299.04202	0.2
397.13596	0.2
466.98361	0.2
488.32932	0.2
534.28052	0.3
577.59442	0.1
608.25580	0.2
609.25812	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	608.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
57.03426	1.6
59.01380	57.2
60.02235	1.3
66.03493	2.4
70.02982	2.6
70.69138	3.6
71.01382	26.3
72.99312	3.0
73.02947	6.7
75.00869	4.4
83.01396	4.7
85.02953	12.9
87.00881	15.8
89.02447	14.0
93.03450	2.1
94.02956	1.7
95.01373	3.3
96.04546	4.2
96.96001	7.6
97.02939	1.8
98.02488	14.0
98.95602	4.1
99.00894	1.9
100.04105	1.2
101.02444	18.4
111.00869	2.2
111.75658	1.6
112.04046	1.4
113.02459	18.7
119.03507	4.5
125.02460	3.3
128.03456	2.0
143.03537	1.5
143.04619	2.1
161.04579	2.2
172.10684	1.5
173.04544	2.1
175.03998	1.5
179.05646	1.7
191.05635	6.6
209.11777	3.6
210.12062	2.4
211.13385	1.8
227.16481	3.0
255.02922	1.7
256.03387	1.6
276.19818	3.4
283.02399	1.7
284.02866	4.5
285.03922	4.4
286.04324	2.1
288.20203	1.5
297.03799	1.7
306.07666	2.9
327.05139	2.3
338.57733	1.4
342.22903	2.5
360.23935	12.3
362.25482	2.8
389.21768	2.8
398.13965	2.8
415.14771	2.1
438.24954	3.5
504.28134	100.0
505.28659	5.9
506.29660	1.4
522.29279	27.1
523.29376	3.0
533.74896	1.4
548.41168	1.5
564.30334	12.8
565.29871	1.6
608.26593	2.3
609.14612	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	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25254	0.2
59.01364	0.4
61.98827	100.0
70.64056	0.4
70.64394	0.4
71.01369	0.5
71.20563	0.2
79.18127	0.2
79.95746	0.5
80.96517	3.6
85.02951	0.3
94.98067	0.9
113.02415	0.2
134.97563	0.3
151.94632	0.2
152.98636	0.2
164.98640	0.4
173.04568	0.2
225.00725	0.9
299.04361	0.2
310.21048	0.2
476.21207	0.2
608.25012	1.1
609.25848	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	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
59.42390	0.2
61.98826	100.0
68.25940	0.2
71.01369	1.6
71.20837	0.2
72.99337	0.2
73.02940	0.4
73.77209	0.2
75.27859	0.2
78.98603	0.3
79.95722	1.6
80.96512	6.0
85.02971	0.6
87.00897	0.4
89.02479	0.4
93.03471	0.6
94.98089	1.3
96.96017	0.8
97.02960	0.3
98.20649	0.6
101.02467	0.6
106.98116	0.4
113.02470	0.4
122.97601	0.6
125.02472	0.5
134.97528	0.5
136.99176	0.2
148.99141	0.8
152.98634	0.6
162.92422	0.2
164.98619	1.3
173.04591	0.7
182.99727	0.3
191.05667	0.8
206.99693	0.2
211.13428	0.7
225.00752	2.2
250.23331	0.2
299.04501	0.4
299.76553	0.2
319.91177	0.2
320.16092	0.2
397.13382	0.5
415.14383	0.3
488.32977	0.3
510.56796	0.2
521.71228	0.2
534.28369	0.3
564.34607	0.3
608.25415	0.4
609.25787	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	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33189	1.1
57.03444	2.0
59.01378	61.0
61.98832	1.4
66.03471	4.8
69.25369	9.7
70.02970	3.0
71.01378	28.7
72.99306	5.1
73.02959	5.8
75.00882	2.7
83.01364	4.5
84.95099	3.6
85.02950	15.2
87.00871	19.4
89.02449	11.8
89.33002	1.2
93.03451	2.6
95.01382	3.6
96.04546	3.5
96.96017	7.6
97.02965	2.4
98.02473	15.6
98.19910	2.0
98.95564	3.2
99.00874	4.1
101.02433	19.6
101.58234	1.1
103.00385	1.3
105.01965	1.2
111.00854	1.2
112.04027	2.0
113.02447	17.7
119.03501	4.4
125.02415	3.6
127.00275	1.1
128.03540	2.8
131.03520	1.2
135.02974	1.9
143.03467	1.3
159.02934	1.9
161.04530	2.8
173.04494	3.7
175.04031	1.7
182.30870	1.0
191.05569	7.8
198.06790	1.8
209.11763	3.5
210.12183	3.3
211.13269	1.9
219.02875	1.9
227.16512	2.8
255.02931	1.2
256.03339	2.4
276.19537	1.7
283.02420	1.5
284.02954	4.0
285.03784	3.7
298.04739	1.8
306.07712	4.2
327.05008	3.2
339.05084	1.8
342.22638	2.3
360.23911	10.6
362.25302	3.2
389.21576	2.4
397.13416	2.1
398.14139	1.4
438.24875	3.6
439.25308	1.2
447.09311	1.3
454.24927	1.2
462.07736	1.9
468.26151	1.7
473.56735	1.2
504.28122	100.0
505.28510	8.7
506.29767	1.4
522.29175	31.5
523.29437	2.8
564.30402	14.8
565.29761	1.9
577.62982	1.3
590.09021	1.4
602.69574	1.3
608.26843	4.1
609.14941	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	608.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63811	0.2
53.48648	0.3
58.02962	0.3
59.01378	2.3
61.98819	0.3
69.40800	1.9
71.01383	1.5
73.02966	0.4
73.12650	0.3
75.00875	0.5
75.94592	0.2
81.03471	0.3
83.01416	0.3
85.02948	1.1
87.00874	100.0
88.00379	0.3
88.01218	0.8
88.98797	0.4
89.02435	1.1
93.03445	0.8
95.04996	0.3
96.95985	1.5
98.02470	1.1
99.00862	0.5
101.02445	0.8
104.69096	0.3
109.02946	0.9
111.00900	0.7
113.02460	1.2
119.05032	1.3
123.36033	0.3
125.02449	0.4
128.96199	0.3
129.01909	0.3
133.02956	0.8
137.02415	0.6
141.01959	0.6
151.00333	0.5
155.03543	0.3
159.02956	1.3
163.03951	0.4
165.01932	0.3
167.03360	0.3
173.04521	0.7
174.89952	0.2
175.03998	0.5
183.02966	0.4
191.05585	1.3
209.11781	0.5
210.12152	0.5
211.02466	0.6
211.13385	0.5
211.60051	0.3
246.85150	0.3
255.03011	0.6
256.03400	0.7
271.06091	0.5
284.03217	3.1
285.04022	5.6
297.03912	0.6
298.04782	0.5
299.05673	1.0
311.05530	0.3
313.03543	0.7
327.05066	5.9
327.08936	0.3
339.05438	0.4
357.06174	1.2
360.23892	7.8
361.24167	0.7
369.06033	0.4
376.23303	0.3
397.13477	0.7
398.14279	0.4
401.93542	0.2
433.11447	0.3
447.09299	7.6
504.28311	0.3
549.25488	0.4
590.19434	0.4
590.28204	2.4
608.29236	3.4
609.14508	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	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75535	0.6
55.01860	1.3
57.03446	3.8
58.00597	0.9
58.25495	0.6
59.01378	77.0
60.01722	0.6
60.10451	0.6
61.98825	1.3
69.03459	0.9
70.56317	1.9
71.01379	19.2
72.99299	1.5
73.02943	5.1
78.95856	0.8
83.01381	3.5
85.02953	9.1
85.13773	0.7
87.00860	2.3
89.02446	4.3
93.03455	2.7
95.01380	2.4
96.95982	1.5
97.02941	0.9
97.06588	0.9
99.00882	2.8
101.02443	9.5
111.00867	1.1
113.02450	11.6
119.03564	1.1
125.02386	1.2
135.04512	0.5
137.09702	2.2
139.43550	0.6
143.03493	2.1
145.00256	0.7
152.99570	0.8
153.12860	1.3
155.10786	3.0
157.12350	1.7
159.72276	0.6
161.04549	2.3
165.12726	0.7
173.04517	6.1
191.05598	1.6
201.14981	5.2
209.11844	1.0
225.95541	0.6
230.15244	2.2
341.26974	1.2
359.27994	13.6
374.19446	1.0
397.13354	0.8
455.30063	0.9
503.32239	100.0
504.32632	8.1
521.33289	25.9
522.33569	2.9
545.33136	3.2
563.34479	7.8
564.34766	0.9
607.31714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03447	2.5
58.00579	1.4
59.01380	100.0
61.98820	3.8
67.01878	1.0
69.03474	1.7
69.54614	4.3
71.01381	25.0
72.99301	2.0
73.02956	7.2
81.03450	1.4
82.95410	4.4
83.01389	4.5
85.02946	13.8
87.00871	3.6
88.98807	1.4
89.02425	6.6
93.03464	2.5
95.01390	2.4
96.00910	1.3
96.95428	0.9
96.96000	3.8
97.02956	1.8
97.06601	1.1
99.00879	3.7
101.02438	14.2
106.05393	0.8
111.00862	1.6
113.02441	14.6
113.03573	3.2
119.03505	2.0
119.08652	1.1
123.08153	1.4
124.01608	1.5
125.02454	3.9
128.03491	1.6
130.08701	1.5
131.04691	1.0
135.04460	1.2
137.09706	2.3
142.02614	0.9
143.03508	2.7
161.04500	4.2
165.12794	1.5
165.17790	0.8
169.12343	1.4
171.13939	2.0
173.04585	6.0
179.05638	1.0
183.13898	3.1
187.13356	2.8
191.05580	3.2
200.14175	1.0
203.52243	1.0
209.11826	2.8
227.12834	1.2
235.08417	0.9
269.04498	1.3
271.01303	1.0
285.04089	0.8
297.04242	1.1
303.12674	0.8
315.25397	1.2
319.55548	0.9
341.26999	2.4
347.20773	1.7
359.28024	8.8
383.28073	1.1
397.13449	2.0
450.04526	1.0
455.30319	1.2
459.29422	1.3
467.30063	1.8
468.51587	0.9
485.31100	2.8
503.32266	93.6
504.32541	7.1
521.33325	29.8
522.33759	2.2
532.23914	1.5
532.74396	1.1
544.15173	2.9
545.33264	2.7
547.11304	2.2
557.68994	0.9
563.34210	10.3
607.24408	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	607.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99592	4.1
59.01381	11.2
61.19107	4.1
71.01383	8.5
71.55275	4.2
71.55659	5.5
71.56637	4.1
73.02959	4.0
85.02934	8.8
87.00916	4.2
88.98800	9.1
89.02438	6.5
91.08480	4.4
94.59235	3.9
96.96004	31.1
99.00851	8.1
101.02435	7.6
111.04594	3.8
112.25026	4.0
113.02455	17.5
119.03581	4.2
119.04977	6.4
121.80300	3.9
134.03735	13.4
148.05292	4.2
149.06114	9.0
162.03209	5.4
163.03984	7.5
171.22627	4.2
176.79738	3.9
177.05556	14.9
178.06241	5.4
185.15468	4.0
188.04829	6.3
203.07138	6.1
204.04103	6.0
205.05078	7.7
209.11887	26.7
211.24860	4.0
216.04289	8.3
217.08676	7.8
219.06584	16.1
221.08319	5.9
231.06592	16.5
233.04379	5.0
235.06078	27.6
249.07672	15.5
251.05534	14.9
268.03708	12.2
269.04443	27.4
293.06671	14.0
353.08734	100.0
354.09018	6.9
397.13306	13.9
413.10672	5.1
415.14059	6.7
431.09958	12.1
515.14081	25.5
523.18085	5.4
571.20343	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	607.243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.4
59.01127	0.3
59.01374	2.0
61.98832	16.5
63.96241	1.0
69.03458	0.5
70.83681	1.0
71.01385	6.9
73.02955	1.6
78.95925	0.9
78.98589	5.0
79.95740	13.1
80.96519	61.1
81.03477	0.9
83.01372	0.6
85.02954	2.6
87.00865	2.3
89.02411	0.5
94.68598	0.4
94.98089	12.7
94.98681	0.8
96.96013	1.3
97.02956	1.5
99.00885	0.9
101.02438	3.3
105.56483	0.4
106.98087	3.2
109.75459	0.4
113.02463	0.8
122.97595	4.8
122.98420	0.7
125.02460	3.2
125.09673	0.5
127.04012	0.8
134.97592	4.0
136.99144	1.1
148.99129	5.2
152.98592	6.1
152.99573	0.7
164.98631	10.3
171.10194	0.4
176.02626	0.3
179.00159	0.4
182.99622	2.7
193.12418	0.4
206.99655	3.1
209.11826	1.2
211.13374	1.1
225.00732	16.4
225.33554	0.4
227.50349	0.4
243.01770	1.7
252.27304	0.4
253.09233	2.8
291.19812	0.7
293.21240	1.5
299.04330	2.9
311.22293	8.3
312.22968	0.3
427.12820	0.7
495.45923	0.4
607.24310	100.0
608.24701	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	607.1664
Annotation	Luteolin 7,4'-dimethyl ether 5-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03437	1.5
58.24852	0.5
59.01379	7.4
61.98806	1.0
63.02402	2.4
65.00324	14.1
69.22958	3.1
69.23376	1.7
71.01372	4.0
73.02944	3.7
74.47525	0.5
75.00845	0.6
81.03434	1.0
83.01379	9.5
85.02957	1.6
87.00868	0.8
89.02457	2.2
93.03442	5.7
96.96017	1.8
97.02945	0.8
98.20702	1.1
99.00895	1.3
101.02441	3.9
107.01386	24.5
108.02215	0.6
111.00858	1.2
111.04483	0.6
113.02430	3.1
117.03456	3.5
119.05022	42.6
120.05339	0.6
121.02916	1.6
125.02443	19.5
126.02779	0.6
133.03056	0.8
136.01637	1.1
137.02409	1.4
139.04028	0.9
143.03445	0.7
143.04974	1.0
145.02951	22.0
149.02475	1.7
149.04524	0.8
149.99506	0.6
151.00360	100.0
152.00713	1.4
161.06076	1.1
163.00266	0.8
163.04025	1.4
164.01149	1.2
165.01915	4.2
167.03513	1.1
169.01405	1.4
173.04529	1.8
175.00383	1.9
175.03990	0.8
177.01929	5.2
179.03442	1.0
183.08313	0.5
185.06004	3.0
187.04054	3.2
191.03508	0.6
191.05629	1.4
193.01352	0.9
193.05051	0.7
196.00157	0.7
221.04536	0.7
227.07091	4.6
229.05023	1.2
235.02380	2.2
237.03928	0.7
269.04471	1.9
270.04861	1.8
271.06088	48.4
272.06485	1.1
283.06094	0.5
283.09772	1.6
295.06033	0.7
299.07654	0.9
311.09225	3.5
313.07181	2.6
325.06763	0.6
326.11490	2.7
341.13974	4.6
353.99451	0.6
381.09695	3.2
403.10220	1.2
413.12457	9.5
445.11407	4.3
453.68369	0.5
461.13049	4.9
469.09952	1.9
487.10913	24.0
488.11014	1.8
503.32089	0.8
547.12866	0.6
555.24902	0.6
557.13245	1.2
565.15527	1.5
589.15466	3.2
607.16638	93.3
608.16956	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	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98827	100.0
69.76601	0.4
69.77008	0.4
71.01389	0.4
73.02979	0.1
74.00686	0.1
78.84488	0.1
82.54208	0.2
85.02955	0.3
87.00877	0.2
93.03461	0.2
96.96010	1.0
98.20685	0.2
101.02441	0.3
113.02493	0.2
137.02458	0.1
165.70122	0.2
173.04541	0.2
191.05511	0.3
202.94049	0.2
236.61633	0.1
274.55911	0.2
290.18716	0.2
312.19379	0.1
487.33087	0.3
563.34204	0.2
606.31836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62580	0.1
59.01382	2.2
61.98827	100.0
65.73418	0.1
66.77599	0.1
71.01389	0.6
71.56537	0.2
80.96541	0.1
86.24776	0.1
87.00899	0.2
89.02446	0.2
90.56910	0.1
93.03500	0.2
96.96011	0.5
101.02435	0.2
113.02434	0.2
173.04567	0.4
191.05724	0.3
209.11880	0.2
362.96222	0.2
396.09042	0.2
443.88528	0.2
473.08569	0.2
486.31845	0.4
487.32425	0.2
607.24762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45856	0.7
50.95821	0.7
51.81835	0.6
55.01875	0.9
57.03443	3.1
59.01380	20.0
59.01687	1.0
59.67949	0.7
63.02404	0.7
63.88171	0.7
65.00324	1.0
68.99809	1.2
69.03453	0.9
71.01379	26.0
72.96367	0.7
72.99301	3.9
73.02955	2.5
75.00879	6.9
78.95930	0.7
81.03471	0.8
82.95435	2.0
83.01396	3.0
83.05041	2.4
83.26573	0.8
84.02145	0.8
84.95123	2.5
85.02950	30.2
87.00865	9.4
89.02442	9.8
93.03442	1.2
95.01385	10.6
96.96006	13.8
96.96599	0.9
97.02941	1.4
98.02499	1.1
98.95596	5.9
98.96452	1.7
99.00877	12.2
101.02435	7.9
103.00396	4.8
107.01350	0.8
111.00909	1.0
113.02447	63.7
114.02808	0.8
114.86689	0.7
115.00385	2.1
117.01946	3.2
117.03498	1.9
119.03519	2.3
124.04102	0.6
125.02439	3.2
129.01945	2.2
137.02386	0.8
143.03510	1.4
149.02467	1.8
151.00381	2.6
157.01326	0.9
159.04465	0.8
161.04521	2.2
163.11270	2.3
171.04495	0.9
172.05292	0.8
173.04620	1.2
175.02473	20.8
179.05629	1.7
191.05611	2.7
204.46286	0.7
209.11819	45.5
210.12254	0.9
225.05627	0.8
235.08128	3.3
239.03471	2.1
240.04254	2.2
252.26236	0.7
254.91631	0.7
267.02820	0.9
268.01498	1.2
268.03738	78.5
269.04526	100.0
270.04846	4.6
281.04407	1.0
282.05338	1.0
283.06216	0.8
311.05481	3.5
312.05814	0.7
323.05850	0.8
341.06516	0.9
346.41885	0.7
397.13489	21.6
398.13907	1.3
415.14688	9.2
431.09818	46.9
432.10202	3.1
445.07605	6.9
487.08362	1.3
510.09958	0.8
607.12946	34.4
608.04840	0.9
608.13239	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	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98828	100.0
69.49532	0.6
69.49943	1.0
71.01382	0.7
73.02958	0.3
78.95917	0.3
79.95730	0.6
80.57362	0.2
80.96512	1.8
83.04997	0.3
85.02979	0.3
87.00865	0.3
89.02452	0.5
91.96003	0.3
94.98074	0.3
96.96050	0.4
98.19907	0.4
101.02423	0.5
107.57176	0.2
113.02464	0.3
115.26018	0.2
125.02531	0.3
152.99620	0.5
165.12759	0.3
173.04631	0.4
191.05624	0.4
197.11835	0.3
209.11873	0.7
225.00758	0.4
227.12929	0.9
253.09277	0.7
291.19611	0.4
309.20801	0.3
310.21198	0.3
312.81598	0.2
397.13101	0.4
453.67068	0.4
607.24835	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	606.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79500	0.1
59.01372	0.5
61.67365	0.1
61.98827	100.0
65.51885	0.1
69.47697	0.9
71.01383	0.1
75.00880	0.6
78.95910	0.6
80.96525	0.5
81.79917	0.1
85.02920	0.1
89.66395	0.1
96.96024	0.3
101.02455	0.2
143.13071	0.1
152.99635	0.3
153.68762	0.1
159.03917	0.1
159.41498	0.1
173.04515	0.2
183.12932	0.2
209.11868	0.1
223.13441	0.2
225.00838	0.2
253.09364	0.2
291.19559	0.3
305.00568	0.1
307.18976	0.2
308.19656	0.2
309.20090	0.2
427.86111	0.1
429.79056	0.1
607.24854	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	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98383	0.1
59.01377	0.8
61.42408	0.1
61.98832	100.0
63.96239	0.2
66.17054	0.1
71.01377	0.8
71.03441	0.3
71.05016	0.3
73.44087	0.1
78.33951	0.1
78.95909	1.1
78.98608	0.7
79.95728	1.2
80.96523	5.2
85.02939	0.3
87.00876	0.3
94.98100	1.3
96.96029	0.4
96.96998	0.2
97.06614	0.2
101.02453	0.5
106.98107	0.3
108.88084	0.2
109.06590	0.2
119.40014	0.2
122.97614	0.6
125.02459	0.3
127.03940	0.2
134.97626	0.3
136.99133	0.2
148.99193	0.5
152.98560	0.4
152.99623	1.2
154.75731	0.1
164.98665	0.9
171.10307	0.2
173.04558	0.2
191.05737	0.2
206.99658	0.3
209.11914	0.2
211.13414	0.2
225.00748	1.4
241.01271	0.4
253.09309	0.5
291.19650	0.8
293.21283	0.3
299.04514	0.4
309.19928	0.2
311.22260	1.7
315.04962	0.2
397.13712	0.2
607.24487	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	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39617	0.1
59.01371	0.4
61.61258	0.1
61.98833	100.0
66.61648	0.1
70.44778	0.1
71.01387	0.3
71.12561	0.3
79.95754	0.2
80.96514	1.0
91.47401	0.1
94.98096	0.2
96.96007	0.2
101.02475	0.1
152.27905	0.1
187.43652	0.2
207.10387	0.3
209.11847	0.2
225.00778	0.2
227.12914	0.2
253.09290	0.2
308.19583	0.2
309.19995	0.2
311.22424	0.3
410.80719	0.2
607.24670	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	605.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98826	0.7
69.75768	3.1
78.95901	25.3
88.00392	0.7
88.98803	1.2
93.03468	5.0
96.96007	0.8
96.96952	6.8
98.50262	0.5
125.06092	0.8
127.66245	0.5
134.04709	3.1
148.08875	1.8
150.10510	1.2
150.97983	1.0
151.11382	0.7
163.11200	1.4
165.12839	29.1
166.13120	0.8
175.11230	1.2
176.12018	0.6
177.12767	0.6
191.14357	0.9
209.21819	0.6
217.16014	0.9
222.35263	0.5
244.10768	8.1
247.20639	15.9
273.18604	8.5
291.19653	100.0
292.20023	5.1
313.17838	23.5
314.18149	0.8
346.05548	16.0
353.29651	0.6
409.35571	0.5
605.38300	45.5
606.27112	2.0
606.38635	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	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01373	24.9
60.70367	1.5
61.98820	19.2
70.16355	1.5
71.01381	7.0
71.10317	1.9
71.10647	2.9
75.00869	100.0
78.95900	3.3
83.01410	3.4
85.02985	1.9
87.00866	2.2
89.02454	5.9
91.58249	1.9
93.03473	2.2
96.96009	2.9
101.02454	7.0
113.02462	2.6
115.22824	1.7
125.09666	2.4
151.11293	4.0
161.04538	2.7
163.11288	3.5
165.12895	9.4
171.10347	2.3
173.04538	2.4
179.10931	1.7
181.12337	3.9
191.05667	2.0
191.10716	3.3
193.15927	2.0
209.11790	33.0
211.13341	2.4
247.20656	4.5
253.09225	29.7
254.09711	1.9
265.21631	5.1
271.23367	1.6
273.18909	1.7
291.19614	45.2
292.19855	3.9
293.21201	2.8
309.20685	84.6
310.21021	4.5
343.19058	1.7
445.20877	6.6
490.69235	2.1
545.29639	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08880	1.1
55.01864	2.4
57.03436	3.5
58.00584	1.5
59.01379	100.0
61.24949	1.3
61.98816	4.9
66.21996	1.2
70.69665	2.1
71.01384	34.2
71.04999	1.9
72.99309	1.6
73.02946	9.1
78.95906	1.4
83.01371	3.8
83.05027	1.9
85.02950	13.7
87.00865	4.4
89.02450	16.1
93.03445	3.1
95.01374	4.7
96.29355	1.2
96.96004	11.4
97.02943	1.4
99.00874	4.1
101.02431	16.8
103.56261	1.5
111.00830	1.3
111.04543	1.3
111.08138	1.2
113.02446	19.5
116.92879	1.3
119.03485	5.7
125.02432	2.9
139.11188	1.5
143.03522	3.0
157.12335	4.1
161.04547	4.5
171.10194	1.2
173.04555	6.4
173.11740	1.8
179.05539	2.0
181.12279	1.6
186.12561	2.3
191.05629	4.0
199.13339	1.5
201.15002	1.6
204.23555	1.2
225.11259	4.0
251.16460	1.7
253.09148	2.1
291.19650	2.7
304.80820	1.3
309.20755	9.7
339.25449	5.7
357.26492	7.8
381.26349	7.2
485.31143	4.2
501.30667	84.5
502.30997	6.7
503.32050	2.0
519.31744	33.5
520.32196	3.2
537.28082	1.2
543.31458	2.4
545.29468	9.3
561.33307	7.1
563.30865	9.2
605.31726	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98631	0.8
55.01877	0.8
57.03440	5.5
57.45433	0.9
58.00585	2.2
59.01376	100.0
59.92759	0.9
60.01708	1.1
60.07708	0.9
66.25676	0.9
69.03459	0.9
69.44220	4.0
69.44651	3.3
71.01377	30.8
71.05007	2.0
72.99310	1.3
73.02944	11.3
83.01395	3.4
83.05020	1.3
85.02946	11.1
87.00877	2.9
87.04476	1.2
89.02442	10.6
94.10670	1.0
95.01366	2.8
96.95997	3.4
97.02946	1.8
97.06608	1.7
98.19944	1.9
99.00857	4.1
101.02441	17.8
111.00869	1.2
113.02441	22.1
113.09702	1.3
119.03500	3.8
123.08178	1.6
125.02442	2.0
134.14175	0.9
143.03474	2.9
151.11227	1.1
157.12361	5.9
159.02879	1.0
161.04564	10.2
169.12398	1.1
173.04530	2.8
173.11809	1.7
179.05591	1.3
181.12296	2.7
183.13884	1.2
186.12654	1.4
191.05571	1.6
199.13409	1.8
201.14891	1.7
228.13588	1.7
267.19507	2.1
309.24481	1.1
321.24194	2.7
339.25354	7.8
357.26434	16.0
381.26248	1.8
399.27365	1.5
483.29654	1.6
501.30646	92.4
502.31403	4.6
519.31720	30.1
520.32135	2.6
543.31653	2.7
561.32678	7.7
562.33508	1.2
589.72693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
58.00570	2.6
59.01381	78.0
61.98814	5.2
65.65274	1.5
71.01389	29.6
72.99322	2.7
73.02945	5.7
78.95888	2.4
81.19950	1.7
82.95403	5.6
83.01382	4.7
83.05053	1.6
85.02950	15.2
87.00863	2.9
89.02433	9.1
93.03470	3.6
95.01382	2.6
96.96007	7.8
97.02940	1.8
98.10805	1.4
98.19874	4.0
99.00884	2.5
101.02452	14.9
113.02450	17.7
117.77905	1.5
119.03516	2.6
121.02977	2.0
125.02481	2.4
127.11174	1.6
137.02509	1.7
143.03407	2.3
157.98186	1.6
161.04510	3.4
171.13828	1.7
173.04594	11.9
190.01944	1.4
191.05586	3.0
259.37448	1.6
339.25150	2.2
344.18158	3.6
357.26425	4.2
362.19348	4.0
423.10367	1.7
443.09576	1.6
454.01410	1.7
483.29608	3.7
501.30685	100.0
502.31210	9.0
519.31812	26.3
520.31805	2.2
543.31921	2.0
561.32428	3.5
605.30200	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	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07507	0.5
61.98814	0.6
70.45367	1.8
78.95913	1.0
110.98540	0.9
120.04565	0.5
140.57758	0.5
185.02174	2.0
190.70488	0.5
255.23344	3.9
347.78928	0.5
421.23395	0.5
423.25009	2.0
430.18176	0.8
443.18954	0.6
456.15936	1.0
457.20102	1.6
458.18872	0.5
459.17386	2.3
460.18500	0.7
470.21472	0.8
471.18427	1.4
472.18826	0.7
473.19864	4.6
474.20477	0.7
485.19928	1.9
485.24731	0.5
486.20740	3.7
487.21124	1.0
496.18884	0.9
499.17828	2.1
501.23718	3.4
511.21451	2.7
513.19373	2.0
514.20050	7.5
515.20374	0.8
516.72028	1.1
517.18359	0.6
518.19568	2.0
529.22449	100.0
530.22784	10.5
532.21149	1.9
533.21887	2.5
561.25183	1.0
573.21588	1.6
605.24274	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86723	2.2
57.03429	2.2
58.97668	2.2
59.01377	39.4
61.98832	87.4
71.01377	17.7
73.02942	3.9
78.95910	3.4
80.96494	3.3
84.84435	2.6
85.02945	5.1
88.98788	3.3
89.02464	9.1
89.98880	2.5
93.03455	3.0
95.63301	2.3
96.96003	8.9
97.40066	2.4
99.00877	2.9
101.02455	14.9
109.06602	4.3
113.02453	7.9
121.10191	3.3
125.09723	5.8
161.04521	3.8
171.10263	11.0
173.04536	5.5
185.11824	6.3
191.05653	7.1
205.17995	2.6
207.10234	4.8
207.28355	2.3
211.13391	87.2
211.15422	4.8
212.13832	3.4
251.16318	2.7
253.09323	33.8
291.19672	100.0
292.20129	4.7
305.91113	2.7
309.20633	6.6
376.69296	3.1
397.13525	3.2
415.14020	3.1
447.22171	7.5
485.31161	3.2
519.31366	2.5
527.28613	24.5
561.32733	9.3
582.93195	2.5
605.22565	3.7
605.31342	8.1
618.66302	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.8
59.01381	17.0
69.38158	1.1
69.74582	4.0
69.75007	2.0
71.01379	5.5
73.02988	1.4
85.02957	1.6
89.02469	5.0
97.02959	4.1
99.00943	1.0
101.02447	6.8
111.08173	5.8
113.02438	3.1
119.03497	1.0
137.09737	1.3
161.04544	2.9
163.11351	1.1
165.12837	3.4
169.12312	1.3
171.10295	3.7
179.05659	1.1
181.12384	1.1
193.12151	1.1
197.11829	22.5
199.13361	1.3
209.11884	1.0
211.13397	4.2
225.23018	1.2
227.12984	2.0
247.20717	2.9
253.09293	38.8
263.20291	1.1
273.18631	1.7
291.19699	27.1
291.23026	1.4
292.20123	1.0
309.20712	100.0
310.20950	5.1
527.28394	1.0
545.29529	2.1
590.85834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87059	1.1
53.88957	1.1
54.44000	1.2
59.01376	75.4
61.98806	1.8
63.02379	1.6
65.00323	1.2
69.03429	2.3
70.52604	2.5
70.52936	1.7
71.01373	30.4
72.99298	1.6
73.02944	46.7
79.66609	1.0
82.88455	1.1
83.01380	12.6
84.95094	1.1
85.02935	5.2
87.00843	1.5
89.02454	6.6
93.03433	1.4
95.01356	2.1
96.96007	12.2
99.00896	1.2
101.02438	40.8
107.01364	2.0
108.02165	3.1
112.09814	1.3
113.02435	17.0
117.03450	4.3
119.03475	4.2
121.02917	2.1
123.04524	2.4
125.02405	1.8
130.35794	1.1
131.03513	4.6
136.01660	22.0
143.03482	4.8
149.04581	8.5
151.00330	1.7
151.03992	25.0
155.03397	1.5
159.04485	1.9
160.05208	1.2
161.04541	11.0
172.03598	1.0
173.04503	4.7
177.05605	1.4
188.04759	2.0
191.05565	4.7
192.05811	1.2
201.05577	1.5
203.05522	2.4
203.07246	1.8
221.06604	4.9
251.07278	2.0
261.05515	2.0
263.07074	2.4
268.03772	8.5
269.04523	100.0
270.04831	5.2
279.06583	5.2
291.06488	1.4
294.08899	3.1
297.07559	2.0
309.07596	3.2
309.11295	14.7
321.11404	1.4
324.10068	1.6
327.12253	1.8
328.78799	1.2
339.12338	12.8
344.25262	1.2
357.13376	26.2
358.13809	1.5
379.07855	1.4
381.13495	3.7
501.30804	1.8
531.18793	3.3
543.18988	6.5
563.14032	2.3
580.37549	1.3
605.15051	49.6
605.29565	1.9
606.15411	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	604.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82518	12.2
81.28957	2.2
87.66048	2.2
91.41588	2.1
124.18380	2.5
223.20717	3.0
225.22194	18.7
253.21681	5.1
270.24445	3.3
271.22754	9.5
277.45770	3.0
305.52933	2.7
314.27060	5.7
326.27029	4.3
509.11459	2.4
568.49420	100.0
568.58411	4.9
569.49725	9.0
604.46893	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	604.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36049	0.1
56.93444	0.1
59.01374	0.5
61.25093	0.1
61.98825	1.1
63.74663	0.1
66.95947	0.1
69.23197	0.3
69.23612	1.1
71.01367	0.2
73.02888	0.2
78.95908	0.9
79.95739	2.8
82.95415	6.1
85.02966	0.2
87.00911	0.2
96.96011	100.0
97.95946	0.3
98.02525	0.2
98.20682	0.3
98.95604	2.5
98.96350	0.2
101.02439	0.2
113.02403	0.2
173.04546	0.4
191.01259	0.2
191.05585	0.8
253.63885	0.1
379.07254	0.1
494.61203	0.2
522.29230	0.3
544.24640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64698	3.8
69.15008	5.7
69.22611	7.3
69.23014	33.7
75.90306	4.2
78.95906	41.2
83.96509	4.3
85.32957	5.7
85.48367	4.6
86.94698	4.1
98.20697	6.3
100.10666	4.0
110.98528	57.5
152.99521	6.9
158.96869	4.4
167.01143	12.5
185.02213	100.0
253.21724	32.8
255.23320	45.6
264.57703	4.9
277.21503	4.5
291.19681	11.6
292.20065	6.0
293.21091	5.6
309.20746	12.5
310.21109	6.3
421.23593	91.2
422.23959	9.3
423.24948	12.7
615.65143	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	604.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66542	0.1
58.02977	0.2
59.01387	0.2
61.46774	0.1
61.98822	1.1
62.90003	0.1
69.64521	0.6
71.01373	0.2
72.66881	0.1
78.95911	0.7
79.95741	2.7
80.91681	0.2
82.95418	0.6
96.96014	100.0
97.95937	0.1
98.95609	0.4
101.02401	0.2
103.46049	0.1
147.04553	0.4
164.07173	1.3
173.04614	0.1
185.38165	0.1
191.05684	0.1
206.08237	2.0
222.78468	0.1
239.30669	0.1
382.18854	0.2
467.50702	0.1
544.24646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74277	0.6
50.85510	0.5
59.01371	2.3
60.99311	12.0
71.56377	0.7
85.32121	0.5
85.80425	0.5
87.00883	7.4
88.00403	7.0
88.01212	1.3
88.04043	1.2
88.98811	79.0
89.02447	100.0
89.99135	0.5
90.02814	0.9
91.81794	0.5
96.96969	0.5
121.10484	0.5
266.81458	0.5
277.21722	0.9
278.02637	0.7
520.30365	0.6
580.60260	0.6
603.20782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82465	0.8
59.01372	2.4
60.99302	15.6
71.27055	1.3
78.95904	4.7
84.50790	0.6
87.00866	7.8
88.00401	7.8
88.01211	1.3
88.04041	0.9
88.98802	100.0
89.02440	90.9
96.96004	0.9
97.13576	0.5
98.95569	0.8
110.98681	0.9
152.99562	1.0
155.67038	0.6
167.01122	1.7
171.10187	1.4
178.94247	1.2
242.19774	0.6
264.97650	0.7
277.21741	1.5
295.23154	0.9
347.55359	0.7
543.20166	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99574	1.2
54.48064	1.0
57.03426	1.3
59.01374	17.9
61.98815	4.6
62.59511	1.1
65.13970	1.2
66.23580	0.9
71.01372	8.3
71.05003	1.8
71.09145	1.4
71.56367	1.1
73.02943	2.3
79.05589	1.0
79.75508	1.1
80.96508	1.3
85.02920	2.3
87.00867	1.4
89.02435	5.9
93.03434	2.4
96.95979	6.2
97.06580	1.1
101.02446	7.0
102.07350	1.1
105.19229	1.1
109.06584	4.8
111.04514	2.8
111.08092	1.2
113.02459	3.4
119.03424	1.4
127.07553	1.1
131.57782	1.3
133.02922	2.0
135.04515	1.2
143.03552	1.2
161.04517	3.0
161.33197	1.2
163.11375	1.5
167.10793	1.3
171.10251	3.5
173.04494	3.7
185.66603	1.1
191.05559	4.9
204.92384	1.5
209.36845	1.1
224.67889	1.2
245.19092	3.3
249.15018	1.2
253.09245	20.6
271.17093	2.0
287.16583	1.3
289.18073	100.0
290.18417	4.6
307.19156	8.4
309.14944	1.9
525.26801	3.0
543.27753	2.3
603.20862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80834	0.3
55.01885	1.1
57.03458	1.9
58.00603	3.0
58.10332	0.3
59.01381	100.0
60.01721	0.8
61.58762	0.3
61.98827	1.0
64.62712	0.4
69.03463	1.0
71.01384	63.4
71.55581	0.5
72.01727	0.6
72.99312	4.6
73.02947	15.9
75.00867	0.8
80.91684	0.9
81.03466	0.8
83.01389	6.5
84.02123	0.4
85.02950	17.1
85.24934	0.3
87.00880	4.8
87.04521	0.4
89.02445	47.2
90.02775	0.4
93.03460	1.0
95.01392	5.9
96.96008	3.8
97.02957	0.9
99.00887	2.5
99.04468	0.6
101.02448	37.1
102.02806	0.7
111.00904	0.5
113.02451	42.0
114.02742	0.4
117.01936	0.4
119.03506	21.8
124.01670	0.4
125.02444	1.6
131.03525	3.9
135.04509	0.6
139.00401	0.4
139.62598	0.4
143.03506	7.0
149.04568	3.0
151.00366	0.4
155.03548	0.6
159.03027	0.4
161.04546	10.6
163.04071	0.4
173.04546	2.2
178.99849	0.4
179.05617	11.8
189.05457	0.3
191.05609	2.7
209.11797	0.5
216.21355	0.3
287.02982	0.3
337.24042	0.4
399.23840	0.5
445.86111	0.4
499.29074	2.7
507.25571	0.4
517.29468	1.3
543.28119	16.7
544.28369	1.9
559.30640	0.4
561.29156	29.3
562.29590	2.3
603.30530	2.8
604.30304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
58.00578	1.4
59.01379	41.4
61.98819	2.5
70.93674	3.0
70.94015	1.5
71.01381	12.1
73.02935	2.7
75.14218	1.4
77.60823	1.1
80.82211	1.2
83.01386	3.0
83.05022	2.6
85.02947	4.4
87.00878	2.6
89.02442	11.1
93.03432	2.0
95.01373	1.6
97.02939	3.5
97.06599	3.9
99.00823	1.4
101.02448	15.5
103.26316	1.5
113.02440	8.3
119.03500	2.6
121.64483	1.2
123.04530	2.0
125.09737	6.8
125.10532	1.3
135.04512	2.4
137.09711	2.8
161.04527	5.0
163.11255	8.1
165.12810	2.2
173.04498	2.4
179.05566	1.8
179.10629	1.3
185.11798	6.4
191.05739	1.8
191.10831	1.8
191.14426	8.0
207.10217	3.3
209.11812	14.1
209.79631	1.5
225.11337	3.5
237.11249	3.6
245.19052	18.0
246.93741	1.3
253.09286	61.9
254.09615	1.6
263.20068	2.4
271.16995	2.9
277.21771	1.5
289.18079	100.0
290.18430	4.5
295.22757	3.7
307.19122	81.9
308.19437	3.9
395.59387	1.3
442.90045	1.5
543.27716	2.8
603.25403	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15744	1.1
57.03444	2.1
59.01375	35.3
61.13918	1.0
61.98827	11.7
65.53598	0.9
69.23505	9.8
71.01379	9.8
73.02948	2.1
73.91685	1.0
74.52155	0.9
81.03454	1.5
83.01378	2.3
85.02941	3.3
87.00891	1.3
89.02430	8.2
95.01379	1.4
95.05019	1.5
96.96022	1.8
97.02934	2.3
97.06593	3.7
101.02444	8.0
104.79823	1.4
104.98929	1.0
109.06560	1.9
111.04551	1.2
111.52235	1.0
113.02447	4.9
115.99828	1.0
119.03471	2.0
121.06534	1.4
122.03807	1.0
123.04507	3.1
123.08128	2.1
125.02405	1.5
125.09704	4.7
135.08142	1.7
137.09711	2.6
141.27682	1.2
145.06697	1.5
156.00636	1.1
161.04530	3.3
163.11272	6.4
165.09106	1.4
167.10675	1.1
171.10271	1.4
177.12746	1.1
181.12389	1.3
185.11787	6.1
191.14441	7.6
206.75287	1.2
207.10204	4.2
208.06911	1.2
209.11873	13.8
211.13373	2.2
217.15881	1.6
225.11322	3.5
228.35742	1.2
237.11252	2.7
245.19043	16.3
253.09259	38.7
263.20068	2.1
271.17010	2.3
289.18069	100.0
290.18558	5.0
307.19138	72.4
308.19421	3.9
394.72021	1.2
445.20380	1.5
476.47095	1.1
543.27887	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01112	2.6
59.01381	40.5
67.36128	1.5
67.63408	1.6
69.30173	2.9
69.30576	13.5
71.01385	16.1
72.99269	2.3
80.04694	1.5
81.03462	2.6
83.01399	3.9
83.30596	1.4
83.76562	1.4
85.02945	7.0
89.02440	11.3
91.49693	1.7
95.01358	2.6
97.02936	2.4
97.06573	5.9
101.02448	16.9
111.04584	1.7
113.02423	6.5
119.03484	4.7
123.04534	3.3
125.09715	6.8
135.04599	1.8
137.09712	3.7
141.44070	1.7
143.03545	1.8
161.04546	4.6
163.11288	7.3
171.10385	1.8
171.86890	1.6
179.05667	2.8
185.11856	8.2
191.14436	9.9
207.10204	4.0
209.11827	18.2
211.13414	1.8
225.11366	3.0
234.65096	1.9
237.11270	2.7
245.19081	18.9
253.09291	56.4
259.71112	1.6
263.20056	4.6
289.18082	97.4
290.18414	5.3
307.19150	100.0
308.19449	4.6
309.20224	1.9
330.50558	1.6
543.28577	2.2
600.33148	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49055	0.9
55.01842	1.2
57.03439	1.8
59.01376	40.8
61.98833	2.2
67.15578	0.9
69.03447	1.6
69.40498	3.9
69.40926	3.8
71.01380	9.0
73.02948	2.7
75.00874	1.1
81.03459	2.2
83.01382	4.4
85.02945	3.0
87.00909	1.4
89.02439	9.3
93.03425	1.4
95.01395	1.2
95.05027	1.6
96.96012	1.3
97.02956	2.4
97.06580	4.6
101.02444	11.2
113.02439	4.9
119.03499	2.4
121.06602	0.9
123.04528	2.7
123.08170	2.0
125.09727	7.6
135.08182	1.9
137.09727	4.8
149.05981	1.0
160.25819	0.9
161.04515	3.7
163.11285	8.4
165.12794	1.3
171.10332	1.4
173.04495	1.6
177.12828	2.0
181.12332	1.5
183.51129	1.1
185.11836	9.1
191.10875	1.3
191.14391	10.1
207.10225	4.0
209.11798	18.4
210.12144	1.4
211.13412	1.4
225.11302	4.9
235.08134	1.7
237.11353	5.7
243.17537	1.1
245.19080	18.9
246.19530	1.6
253.09280	43.3
254.09567	1.4
263.20029	4.0
271.16980	3.7
287.16562	1.1
289.18079	100.0
290.18381	5.8
307.19135	94.7
308.19473	6.6
315.51538	1.0
445.20862	1.1
472.95279	1.1
542.19623	1.0
543.28046	3.6
603.25616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01383	58.6
61.98832	2.7
67.04673	2.1
68.59696	1.8
69.03423	2.8
69.23236	13.9
69.23651	4.4
71.01377	17.2
73.02970	2.6
75.00880	4.6
83.01397	2.7
83.05009	2.3
85.02966	3.7
87.00883	2.9
88.08592	2.2
89.02454	10.9
93.03444	2.5
95.01407	2.0
96.96032	3.6
97.06602	11.8
98.02440	2.0
101.02443	9.8
111.08147	3.2
113.02478	5.9
119.03467	3.3
125.09776	3.4
144.27159	2.3
151.11320	10.2
153.09329	2.4
153.12843	2.6
161.04552	4.0
161.65984	1.9
163.11259	3.1
165.12889	14.5
167.10655	2.5
173.04558	2.4
179.10796	4.8
181.12306	11.5
191.10733	7.9
209.11824	41.9
209.31885	2.1
210.12321	2.3
211.13449	4.1
227.12845	11.2
239.09048	2.1
245.19032	15.6
253.09282	32.9
263.20132	18.0
271.17047	3.2
289.18112	23.6
290.18515	2.9
307.19128	100.0
445.20670	23.6
460.19516	3.7
498.38687	2.3
543.28046	19.0
603.28625	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.8
59.01377	49.2
60.46014	2.8
61.98834	22.2
66.72546	3.5
69.41478	17.8
69.41894	6.8
71.01382	21.3
75.00876	10.0
78.95901	3.9
85.02938	3.4
86.47842	2.7
89.02448	9.1
93.03523	2.8
95.05014	2.9
96.95968	3.8
97.06577	10.4
98.19862	5.4
101.02456	11.4
109.73466	2.8
110.98588	3.5
113.02465	4.9
119.03550	5.4
151.11295	15.9
152.59262	3.1
161.04518	4.2
163.04156	3.1
163.11375	3.2
165.12794	17.1
171.10313	5.0
179.05585	3.7
179.10695	3.6
181.12323	12.9
183.37077	3.1
191.05638	4.6
191.10738	10.4
209.11852	45.4
211.13271	4.9
227.12810	17.4
245.19054	15.1
253.09233	36.8
256.66464	3.3
263.20087	28.2
289.18112	29.5
289.43005	3.2
291.64288	3.0
307.19135	100.0
308.19138	4.9
417.26328	7.1
435.27643	5.0
445.20645	24.9
446.20740	3.9
460.19290	6.4
502.18762	3.5
543.27820	18.5
603.29309	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	601.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31895	1.9
57.03442	2.5
59.01381	27.6
61.98824	5.5
71.01386	15.6
71.05009	11.6
71.11860	1.9
71.55968	2.2
71.56353	2.8
73.02932	2.8
85.02946	4.7
87.00887	2.4
89.02414	7.5
93.03423	4.3
95.05012	7.4
96.96004	11.9
101.02433	11.2
109.06599	6.0
113.02482	5.1
119.03494	2.6
160.19279	2.0
161.04573	5.2
165.09151	3.8
171.10295	7.6
173.04501	5.7
189.12825	5.1
195.13783	2.7
205.15936	3.8
211.13365	4.0
233.11945	3.2
243.17503	6.4
249.14970	6.6
253.09293	43.4
275.20193	3.8
284.03152	3.6
287.16534	47.7
288.16757	3.2
293.21289	37.0
305.17599	100.0
306.17844	3.8
405.47305	2.7
541.26984	3.6
597.14807	2.4
601.26587	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	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.3
61.98832	1.5
65.73305	0.7
71.01385	5.4
71.10172	1.2
71.10497	0.9
73.08047	0.7
85.02943	1.5
89.02448	5.0
93.03477	1.1
96.96001	3.0
99.00886	0.8
101.02444	4.5
108.51951	0.7
113.02450	2.7
119.03551	1.2
133.02946	1.0
134.03734	0.7
135.04510	0.7
143.03516	0.8
161.04582	2.9
171.10210	1.6
172.04045	1.7
173.04533	1.9
173.07240	1.0
191.05615	1.9
195.13885	7.5
196.14227	0.7
199.75865	0.7
211.13464	1.4
223.13368	4.1
237.76352	0.8
253.09280	30.7
254.09485	0.8
269.12885	0.8
273.40747	0.7
275.20148	5.8
293.21222	100.0
294.21564	5.0
297.12567	2.4
341.11337	1.9
343.92929	0.7
538.54584	0.8
583.25653	1.3
601.16193	1.3
601.26337	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	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38772	0.3
55.01883	0.7
57.03453	1.0
58.00592	2.4
59.01381	53.5
68.99859	0.4
69.03472	0.7
71.01385	49.3
71.55585	0.5
72.01749	0.8
72.99306	3.0
73.02959	2.6
75.00854	0.5
83.01395	5.3
84.75228	0.4
85.02955	8.0
87.00333	0.6
87.00880	15.0
89.02447	51.9
90.02838	0.5
95.01407	3.0
96.96026	1.0
97.02957	1.3
99.00894	0.8
100.56493	0.3
101.02447	24.8
107.03504	0.5
111.00867	0.7
113.02455	24.7
115.04027	0.6
117.01981	0.7
119.03504	20.2
125.02459	1.5
129.01935	0.5
131.03516	2.8
141.01935	1.1
143.03505	7.9
143.70709	0.3
149.04539	2.1
152.23561	0.4
161.04567	8.8
179.05612	21.6
180.05954	0.6
203.05573	0.5
205.19620	0.4
259.20621	0.5
273.22134	0.6
277.21716	100.0
278.22037	6.1
291.23303	6.5
292.23755	0.6
301.21915	0.9
315.20331	0.4
319.22858	3.9
323.09830	18.3
324.10388	0.5
341.10873	48.7
342.11182	2.1
349.23944	0.8
451.23221	0.4
460.27191	0.5
601.32117	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	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48854	0.4
66.03024	0.4
69.31858	0.6
69.32259	2.8
75.02110	0.4
84.95138	1.1
87.00880	100.0
88.00406	3.7
88.01244	0.7
88.04031	0.5
208.44099	0.4
217.44489	0.4
277.21802	0.7
349.40335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58524	0.3
59.01379	0.5
61.98832	0.4
62.61625	0.3
65.32974	0.3
69.41292	2.2
71.01369	0.4
84.95129	1.1
87.00873	100.0
88.00399	2.9
88.01220	0.7
88.04025	0.5
142.39519	0.3
241.17540	0.3
243.77399	0.3
277.21637	2.5
323.09573	0.4
397.25632	0.3
428.53510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51736	0.1
58.49464	0.1
59.01368	0.2
61.98824	5.0
65.86839	0.1
69.56850	0.9
78.95894	0.6
79.95739	2.7
80.52792	0.1
85.02950	0.2
85.83816	0.2
93.03431	0.2
96.96005	100.0
97.95914	0.2
103.85269	0.1
123.97443	0.2
147.31100	0.1
173.04552	0.3
191.05675	0.3
191.66156	0.1
200.02026	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54708	0.3
57.03443	0.6
57.45006	0.3
59.01381	25.3
61.98816	0.8
63.02399	0.7
64.65401	0.3
65.00327	0.5
67.35342	0.3
71.01382	5.9
72.99297	0.7
73.02941	1.4
75.00872	0.8
82.26679	0.3
83.01384	1.4
85.02955	4.0
87.00886	1.5
89.02436	1.8
89.42667	0.3
93.03464	1.3
93.88625	0.3
95.01383	1.2
96.96013	4.1
97.06623	0.5
99.00846	1.8
101.02426	2.4
101.06039	0.5
105.03492	0.5
107.01375	1.2
109.02979	0.5
113.02453	4.9
117.01969	0.4
119.03506	0.7
121.02982	0.5
125.02464	0.6
133.02951	5.7
135.04517	0.3
137.02434	1.2
143.03488	0.4
146.69962	0.4
149.02438	1.1
151.00369	3.4
157.02968	0.3
161.04544	1.0
173.04564	1.5
175.02559	0.7
175.04010	2.1
179.05663	0.4
185.06046	0.5
189.05478	0.4
191.05673	1.6
199.03996	1.5
201.01877	0.6
213.05511	0.4
217.05003	0.9
241.05101	0.9
243.02890	0.4
255.03052	0.4
257.04431	0.3
284.03299	4.4
285.04037	100.0
286.04352	4.5
297.03967	0.6
327.05011	1.9
339.25394	0.4
355.24930	0.3
357.06125	1.4
369.06696	0.4
371.20679	0.8
374.06293	0.4
381.05826	0.4
413.25751	0.3
422.26788	0.3
427.10422	0.6
461.07242	25.9
462.07892	1.5
483.29599	6.0
499.29105	1.2
501.30560	2.6
517.30194	0.8
543.31842	0.7
585.19470	0.6
603.29584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06687	0.9
57.03446	100.0
58.03772	1.2
59.01377	60.7
69.03451	1.0
70.40488	2.0
71.01380	14.1
72.16217	0.9
73.02944	18.5
81.03454	3.1
83.01382	5.7
84.54263	0.9
85.02960	3.5
89.02443	3.1
89.48860	1.0
96.96017	3.1
97.02944	1.9
99.04514	94.1
100.04878	1.2
101.02438	31.9
113.02443	7.1
119.03526	0.8
123.04532	1.1
125.01522	2.1
125.02446	42.6
126.64088	0.8
131.03488	2.5
141.05566	1.6
143.03485	7.7
149.04539	1.6
155.03448	2.0
161.04561	3.5
173.04544	1.7
191.05678	0.9
198.40112	0.9
201.06825	0.9
203.05637	4.7
221.06718	0.9
253.09271	2.4
327.21722	4.8
563.30847	1.7
601.28259	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	601.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80725	0.2
59.01384	0.7
61.98827	100.0
70.01611	0.2
70.02977	0.2
70.13995	0.3
70.14366	0.8
71.01373	1.0
73.02940	0.4
78.90325	0.2
78.91882	1.5
78.95895	0.3
79.72872	0.2
80.91635	0.2
84.60722	0.2
85.02954	0.5
89.02458	0.5
93.03471	0.2
96.95998	2.3
98.02492	0.4
98.19993	0.2
101.02431	0.5
119.03523	0.2
130.08702	0.2
135.04550	0.3
159.03053	0.3
161.08260	0.2
173.04510	0.4
179.05663	0.2
191.05524	1.2
201.11290	2.3
202.11678	1.2
203.11885	0.8
204.63258	0.2
360.23846	2.0
416.14679	0.3
477.45612	0.2
583.27429	0.4
601.26990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62254	0.4
57.03442	0.6
59.01377	13.1
61.98833	6.3
65.03958	0.6
71.01382	4.3
71.56406	0.5
73.02934	2.0
75.99445	0.4
82.95393	0.6
83.01376	1.1
83.05025	0.5
85.02936	1.5
89.02433	2.7
93.03455	52.4
94.03775	0.9
96.96010	17.8
98.95590	1.3
99.00881	4.0
101.02466	1.9
111.04467	0.4
113.02437	2.3
115.92104	0.6
116.92886	0.8
125.02415	0.8
131.03481	0.5
135.04471	0.8
137.02440	100.0
138.02759	1.7
145.02988	0.5
149.04546	1.2
151.00360	0.4
161.04549	0.5
171.10376	0.6
173.04535	2.9
179.03467	0.4
179.05652	0.7
191.05618	3.4
209.11877	1.2
240.06699	0.4
257.12943	0.5
258.13092	0.5
277.38611	0.4
283.13315	0.9
425.12506	1.3
471.26001	0.4
557.18567	1.2
557.26202	5.4
583.22766	0.5
601.15649	1.4
601.23901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.9
59.01365	4.4
63.42559	3.8
69.22630	42.0
69.57388	4.0
83.01359	8.7
83.04990	4.8
95.05074	6.7
96.95999	4.4
97.02931	6.5
97.06599	8.0
123.04530	9.2
125.09698	15.6
137.09692	8.7
163.11285	12.6
165.12929	9.6
181.12395	5.5
185.11818	7.8
191.10692	6.8
191.14488	10.2
207.10223	9.0
209.11829	74.0
221.13171	4.3
225.11340	4.8
245.19041	32.1
247.20702	5.1
289.18048	100.0
290.18271	10.1
291.19666	34.7
298.56421	4.0
307.19110	90.8
322.32574	4.9
365.88382	4.2
423.16663	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	601.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35875	0.7
59.01379	100.0
69.59221	4.0
82.16568	0.7
114.98853	0.9
115.02505	7.8
117.00440	6.3
126.13570	0.7
132.98219	1.6
132.99115	0.7
156.99992	1.4
157.03603	2.9
159.01492	81.9
160.01703	3.6
174.97742	1.0
174.99254	16.6
175.00702	1.3
176.98102	23.4
177.98328	1.0
201.02550	26.6
202.02730	2.0
217.00296	53.6
218.00757	1.3
256.98273	0.7
259.01651	2.9
263.73743	0.6
274.99243	3.2
290.97549	1.1
298.99042	0.6
301.02652	57.6
302.02786	6.3
302.60635	0.7
317.00397	41.4
318.00748	2.4
332.98444	1.2
343.03912	0.8
359.01471	23.7
360.01523	1.0
370.02005	0.8
374.99564	1.9
403.03149	0.8
417.00299	1.2
459.01587	19.0
460.01917	2.2
498.99484	1.4
520.73395	0.8
541.00604	42.8
542.00732	6.8
596.03937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99085	0.5
58.65281	0.4
59.01390	0.6
61.98839	0.9
67.52348	0.5
69.00883	0.5
71.01359	1.0
71.55498	0.4
83.05015	0.9
84.95134	1.9
85.02960	0.9
85.35325	0.5
89.02406	0.9
93.03442	2.6
96.96004	3.4
102.31451	0.5
107.05015	0.6
107.77679	0.6
111.04518	1.8
127.03996	0.6
133.03067	0.7
134.03717	3.1
135.04520	84.5
136.04875	1.6
137.02466	1.1
146.05960	0.5
148.12158	0.4
149.22112	0.5
155.03517	2.8
160.86346	0.6
161.02385	0.9
163.04012	0.9
173.04558	6.0
179.03484	100.0
180.03760	3.0
191.05592	8.8
195.06664	0.7
291.71371	0.5
341.09006	0.5
353.08749	5.8
383.09799	17.6
384.10263	0.9
515.13525	0.8
557.06781	1.1
557.15051	17.1
558.15485	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66568	0.2
61.31253	0.2
61.98832	100.0
69.44750	1.5
71.01422	0.2
82.95428	0.5
96.96004	2.7
96.96519	0.2
98.95574	0.2
105.40217	0.2
142.04538	0.2
164.83154	0.2
166.90237	0.2
173.04620	0.2
186.51607	0.2
191.05594	0.3
237.45589	0.2
269.24121	0.2
435.06076	0.4
492.72958	0.2
536.27545	0.2
539.29144	0.3
598.52173	0.2
599.26984	0.5
613.42029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
57.47165	1.9
58.00600	4.4
59.01380	100.0
61.98532	3.5
61.98831	42.0
67.46467	1.7
69.38169	5.6
69.38581	9.1
71.01382	75.4
72.99281	5.0
73.02950	1.9
73.47650	2.0
75.00863	2.3
78.25748	1.6
83.01388	2.5
85.02933	9.4
87.00864	5.7
89.02444	93.2
93.03441	2.6
95.01386	4.9
96.03413	2.3
96.96005	8.9
101.02444	37.1
101.09985	1.8
113.02457	29.6
114.38936	1.9
116.92857	3.2
119.03510	38.2
119.04903	2.8
121.02889	3.1
123.48074	1.8
131.03488	5.5
135.04521	2.0
138.33531	1.9
143.03474	12.1
145.02922	3.9
149.04549	4.7
161.02423	2.2
161.04565	13.5
162.03226	12.8
166.06300	5.6
173.04529	10.3
177.05508	12.9
179.05602	60.1
191.05614	12.8
239.81949	2.0
317.30353	1.9
411.96353	2.3
487.04395	2.1
501.32941	2.3
539.21313	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	599.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
61.98829	1.6
66.08524	0.2
69.66229	1.2
71.01393	0.9
72.99292	0.3
73.02940	0.2
78.15961	0.2
78.91898	0.3
78.95901	0.3
79.95740	2.3
81.16621	0.2
85.02945	0.6
87.00887	0.3
89.02472	0.3
93.03459	0.6
96.96012	100.0
97.95952	0.5
99.00869	0.4
101.02458	0.4
113.02502	0.3
119.05030	0.3
128.03499	0.2
135.04526	0.2
140.34688	0.2
173.04591	1.9
176.63239	0.2
191.05643	1.7
191.07199	0.3
268.03723	0.4
269.04544	5.7
270.04926	0.3
294.13644	0.2
389.15936	0.4
407.17084	0.4
457.17136	0.3
539.34460	0.7
543.15283	0.5
563.13995	3.5
563.21765	0.2
581.22534	0.5
599.22266	0.4
599.32349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
55.79477	0.5
57.03451	1.4
58.00588	4.4
58.30422	0.5
59.01375	100.0
59.96555	0.6
60.01722	0.8
61.98829	2.0
71.01377	67.6
72.01720	0.8
72.99306	5.4
73.02943	1.9
78.95934	0.6
83.01383	2.3
83.51727	0.6
85.02948	10.1
86.10532	0.6
86.13618	0.5
87.00871	5.7
89.02438	93.0
90.02787	0.7
93.03415	0.8
95.01376	4.7
96.95969	1.6
98.19762	1.2
101.02434	34.0
113.02439	28.4
117.00245	0.6
119.03493	38.8
121.02950	0.8
121.82450	0.5
125.02512	0.8
131.03496	5.5
134.08293	0.6
135.95430	0.6
138.03197	1.0
143.03485	7.6
149.02448	5.0
149.04539	3.5
151.03935	1.1
153.05482	1.7
161.04536	6.7
165.01945	0.8
173.04480	2.0
177.01913	21.6
178.02328	0.7
179.03336	0.6
179.03806	0.6
179.05605	18.1
181.05060	18.1
189.91798	0.7
191.05548	2.6
192.04272	15.1
195.02806	0.7
195.06630	0.8
196.07388	10.7
197.07704	1.0
207.06592	11.2
211.09741	6.9
225.07666	3.9
229.69989	0.7
259.47336	0.6
387.12698	2.2
389.15765	0.8
509.02493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	6.0
71.01402	2.5
71.55956	3.3
78.95901	44.3
80.04227	2.0
80.96330	7.0
82.95422	99.2
84.00912	85.4
84.95126	31.1
96.96971	9.8
98.97385	2.7
102.27447	2.3
119.75824	2.7
138.83986	2.9
152.99603	49.8
153.99965	13.8
155.00008	16.7
156.00288	2.8
204.93549	2.5
222.99974	4.4
225.00664	4.3
241.01057	6.4
242.01416	4.4
243.01628	7.5
253.09245	3.3
277.06113	2.6
277.21753	30.0
279.23251	11.3
280.23642	24.3
281.23889	8.1
282.24249	7.3
315.04767	2.4
317.05240	4.1
408.53430	2.6
598.29706	100.0
599.30231	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	597.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92266	0.3
57.03450	0.4
58.02962	0.4
59.01376	3.0
60.99279	0.3
61.98830	4.4
67.01871	0.4
69.03431	0.4
69.66479	1.9
71.01374	2.7
72.99276	0.4
73.02946	0.4
75.00859	2.0
81.03455	9.9
83.01376	0.5
83.05024	31.9
84.05353	0.4
85.02959	1.1
87.00901	0.4
88.98784	0.6
89.02432	1.4
93.03447	3.6
95.01350	0.3
96.96014	5.7
97.02913	0.4
99.04472	0.4
100.07667	4.2
101.02433	1.6
102.65829	0.3
111.04502	1.2
111.35047	0.3
112.29748	0.3
113.02426	0.9
119.05011	0.6
125.02426	1.2
125.07156	0.5
126.05605	0.8
127.03995	0.9
131.50430	0.3
133.14015	0.3
135.04495	0.6
137.02455	0.9
155.03468	1.4
161.13347	0.6
167.03545	0.8
173.04539	12.4
173.06047	0.7
174.04863	0.7
174.99396	0.3
187.07503	0.4
191.05608	5.2
192.05995	0.5
193.01404	0.4
199.13402	5.2
199.18149	6.0
205.12294	1.3
207.14822	0.6
215.06866	0.4
223.13028	0.4
224.17566	0.7
225.16068	7.1
243.17108	17.1
244.17351	0.7
249.11339	0.7
253.08865	0.6
255.06619	0.5
269.15100	1.2
303.21881	0.4
309.21857	0.9
343.15311	0.4
353.20767	6.8
354.21118	0.5
397.13599	2.4
400.23367	0.5
401.23856	0.7
405.09811	0.5
405.15356	0.7
415.14478	0.9
423.11002	1.1
423.16547	2.8
423.25925	0.8
451.32623	2.2
452.32492	0.4
465.27020	0.4
469.33902	13.5
470.34055	0.9
537.32440	0.6
543.15033	4.0
544.15320	1.0
553.39594	0.8
560.30597	0.7
561.30914	1.4
579.21283	0.5
579.37427	3.2
580.38159	0.4
597.22388	4.4
597.38678	100.0
598.22638	1.1
598.38934	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	597.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
57.03427	1.5
58.00585	0.5
59.01376	22.6
61.98824	3.3
67.01873	0.8
69.03448	0.8
70.30781	1.8
70.83939	0.4
71.01377	21.8
72.99291	1.6
73.02942	8.5
74.52998	0.4
75.00855	1.1
81.03442	0.8
81.76295	0.5
83.01387	4.0
85.02946	10.2
86.00105	0.8
87.00864	1.6
88.98803	0.8
89.02435	4.3
93.03439	2.5
95.01377	1.7
96.96002	7.2
97.02942	0.9
99.00873	5.8
101.02435	15.7
103.03991	1.8
109.02930	0.6
111.00861	2.6
111.04525	0.9
113.02432	8.1
119.04974	0.6
121.02952	0.6
125.02408	1.4
127.04034	0.7
127.79919	0.4
129.01930	1.1
129.09242	0.7
135.00826	0.5
135.04483	1.3
137.02415	1.5
141.01909	0.9
143.03545	0.4
153.01915	1.2
155.03479	1.0
157.05020	1.1
159.02956	1.3
161.02441	0.5
161.04532	3.3
163.04034	0.8
167.03459	1.1
173.04538	6.4
179.03438	1.0
181.05035	0.8
191.05583	9.3
191.07179	0.9
192.06021	0.9
193.01382	0.9
201.09175	0.9
215.07117	0.5
229.08806	0.6
234.41185	0.5
243.19646	2.0
245.08144	0.5
247.08206	1.0
253.08768	0.5
255.06528	0.6
267.28625	0.5
303.21753	0.9
307.17612	0.8
399.25656	0.5
403.26978	0.6
405.09964	0.6
405.15457	1.1
405.24835	3.6
423.10840	1.6
423.16522	1.4
447.25839	1.3
453.12320	0.6
465.26865	2.5
523.90509	0.6
537.28436	2.7
543.15009	6.1
544.15479	0.7
550.65277	0.5
579.22015	0.9
579.30048	3.2
597.23016	3.9
597.31189	100.0
598.22546	0.5
598.31506	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	597.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00562	5.0
59.01376	100.0
61.98586	3.5
61.98829	36.0
71.01006	5.9
71.01377	68.2
71.56487	4.7
72.99274	7.0
73.44407	4.1
73.45882	4.5
75.00864	4.6
78.36974	3.6
85.02954	9.4
87.00843	7.0
88.98787	31.8
89.02435	93.6
92.83996	4.7
93.03437	4.8
96.96004	15.4
101.02435	38.0
111.04494	5.7
113.02436	33.0
115.00378	6.0
119.03497	42.2
121.02928	13.3
123.32449	4.3
131.03481	4.6
133.01421	11.8
135.04526	4.2
143.03522	9.8
145.02937	9.8
146.03729	23.5
161.04524	13.5
161.05949	6.3
162.03230	43.1
164.04767	12.1
173.04536	13.1
177.05540	36.6
179.05571	47.7
179.07117	21.9
191.05554	15.2
209.04466	6.8
241.14417	5.6
291.31607	3.8
327.05252	10.0
369.04263	3.9
447.09375	5.4
491.90939	4.7
524.29913	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	597.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23262	1.1
59.01377	6.9
62.93604	1.0
70.92815	2.4
71.01376	9.9
71.88918	1.0
72.48283	0.8
72.99294	2.3
73.02937	4.7
74.47540	0.9
75.00885	0.9
83.01375	2.6
84.96189	0.9
85.02965	5.1
85.97794	1.0
87.00877	23.2
89.02425	2.7
93.03452	4.9
95.01382	1.4
95.95785	1.0
96.96010	6.2
97.02949	1.6
99.00865	4.7
100.01662	2.5
101.02427	3.7
104.88351	1.1
108.02155	2.6
109.02930	2.9
111.00866	11.4
112.98786	3.6
113.02419	1.7
115.00352	2.0
115.98291	0.8
117.77940	1.0
121.02958	5.6
122.03736	7.5
123.00888	5.4
123.04528	2.5
127.03971	2.2
129.01894	1.0
130.02684	1.4
132.03044	7.5
132.06645	3.7
133.03015	1.1
133.71820	1.0
135.04521	2.4
136.01630	2.1
137.02443	2.7
138.03154	1.1
142.99805	2.5
145.01384	1.4
147.04488	1.0
149.02431	21.8
150.03217	72.7
151.00346	1.4
151.04036	5.8
152.01099	4.7
153.01924	1.6
153.05528	1.0
155.03394	1.3
161.02466	5.2
161.05984	1.1
162.03329	1.4
163.03987	3.1
164.04802	12.3
165.05560	84.2
166.02667	4.1
166.05836	2.9
173.00925	7.6
173.04475	3.6
174.01587	3.4
174.03084	1.4
175.03969	1.8
175.07619	1.9
176.04799	2.2
177.05577	1.5
178.06277	2.0
179.03447	5.5
179.07076	5.8
180.04266	6.4
181.05075	8.0
189.05534	1.6
191.03508	4.1
191.05573	12.8
191.07137	2.8
192.04190	2.2
193.08664	2.4
194.05817	4.2
195.06604	36.0
199.09671	3.2
203.03456	2.1
204.04283	1.1
205.01483	1.3
205.05005	2.5
206.05797	3.7
207.06622	1.6
209.08171	8.9
217.05083	1.2
219.02853	3.0
221.08087	5.2
222.05354	1.5
228.06560	1.2
229.07445	1.8
234.05350	2.2
235.06096	1.2
247.02464	3.6
249.03973	2.1
249.07666	3.0
259.12045	1.0
261.04010	3.9
262.04733	6.2
264.06354	4.6
265.07108	3.9
267.06430	2.0
274.14346	1.5
276.06335	3.4
277.07062	9.0
291.08716	1.8
292.92255	1.3
297.11316	2.7
322.08008	1.1
327.12329	1.2
337.09241	30.8
345.13419	2.8
357.13107	2.2
362.16287	1.7
369.13443	7.9
375.14328	1.6
397.13199	1.5
400.09921	1.0
413.12393	4.6
425.12421	1.6
435.09207	4.3
443.13315	2.0
461.14481	25.7
462.14822	1.1
473.14404	3.5
485.14417	1.8
507.18536	1.2
521.16687	2.8
533.16705	7.6
579.17096	19.3
580.19330	2.3
580.58228	1.3
597.18121	100.0
598.18823	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	597.1824
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
57.03455	0.9
59.01379	4.4
60.16799	0.9
61.98526	1.0
61.98827	8.8
65.74689	0.9
69.03443	0.8
69.57117	4.7
70.27757	0.8
71.01379	6.0
72.99304	1.0
73.02939	2.3
81.03450	1.2
83.01373	2.9
85.02951	3.4
87.00878	24.0
88.04014	1.0
89.02480	1.0
93.03447	2.1
96.96012	6.7
97.02930	1.4
99.00870	3.1
100.01665	1.4
101.02469	4.3
109.02950	1.3
111.00884	29.0
112.98832	1.2
113.02425	0.9
115.00403	1.4
118.25956	1.0
121.02942	3.4
122.03735	8.5
123.04535	1.0
127.04022	1.1
129.01903	1.0
131.03481	1.8
132.03050	4.6
135.04475	1.0
137.02422	1.9
138.03229	1.0
139.03958	1.0
147.02979	1.7
149.02441	17.4
150.03226	63.7
151.00331	1.0
151.04019	6.2
153.05573	2.0
161.02391	1.8
163.04031	2.9
164.04797	8.5
165.05566	66.5
166.02675	3.0
166.05913	2.0
173.00940	1.8
174.01700	2.2
176.04791	1.7
177.01875	1.0
179.03537	4.5
179.07112	7.9
180.04276	5.1
181.05086	5.5
191.01965	1.7
191.03564	1.6
191.05560	2.3
192.04214	0.9
193.08678	1.2
194.05884	3.9
194.26225	0.8
195.06615	20.9
203.03439	0.9
205.05083	2.6
207.06505	1.4
209.08160	5.8
219.06590	1.8
221.08240	0.8
231.02980	1.2
234.05406	1.7
235.05879	1.1
247.06189	2.0
249.04034	2.5
249.07646	4.2
250.04765	1.3
264.06384	10.9
265.07202	6.8
279.08759	1.1
291.08710	1.4
293.12344	1.7
321.09912	1.3
337.09186	7.1
357.13550	2.2
369.13611	1.0
385.13068	1.1
413.12564	4.9
422.36075	0.9
461.14542	37.3
462.14838	1.4
487.15820	3.9
505.17245	2.9
521.16534	4.0
579.17212	8.7
597.18243	100.0
598.18640	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95601	0.6
58.17612	0.6
69.87035	3.3
78.44913	0.6
78.95901	65.7
82.81563	0.6
87.58173	0.6
96.96957	13.8
98.19951	0.7
134.98485	0.7
150.98021	0.8
152.99583	58.2
154.91951	0.7
217.52335	0.7
223.00084	1.7
241.01173	27.3
259.02252	0.7
279.23270	59.1
280.23639	4.0
315.04831	7.4
415.22650	4.6
444.70847	0.6
535.39825	0.6
564.48749	0.8
595.28851	100.0
596.29224	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	596.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18936	0.2
59.01375	1.5
60.35607	0.3
60.68899	0.2
60.99302	15.4
61.98827	2.9
65.38822	0.3
65.71075	0.2
71.01377	1.0
72.99305	1.4
75.00864	1.4
76.63916	0.3
85.02953	0.6
87.00871	2.2
88.00394	1.2
88.98799	100.0
89.02438	6.1
93.03500	0.3
96.96004	2.8
98.95616	0.3
101.02476	0.6
113.02398	0.3
121.03011	0.3
133.01413	0.3
137.17514	0.3
150.03172	0.3
173.04617	0.5
191.05591	2.3
192.06206	0.6
199.09750	0.7
229.57430	0.3
286.26938	0.4
290.73230	0.3
308.73767	0.3
360.23923	0.5
424.99530	0.3
506.29465	2.1
507.30151	0.5
597.24200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2794
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01373	1.2
59.84641	0.3
61.98836	0.8
63.96236	0.9
69.03440	0.5
71.01384	6.5
71.36243	0.3
71.55756	0.4
71.56149	0.4
72.67411	0.3
73.02960	1.5
78.98595	4.9
79.95738	9.3
80.96521	59.7
81.03465	1.0
81.96478	0.3
82.96101	0.9
83.01416	0.3
83.05058	0.3
85.02944	2.3
87.00885	2.8
93.03427	0.3
94.98093	14.4
95.01379	0.4
96.96014	0.8
97.02967	1.2
99.00874	0.5
101.02456	2.3
106.98098	2.7
107.66293	0.3
113.02443	0.6
122.97590	4.4
125.02467	2.7
127.04021	0.7
134.97595	3.9
136.99144	1.2
146.97626	0.6
148.99147	5.3
152.97472	0.5
152.98639	6.9
164.98636	11.3
167.00226	0.4
168.41365	0.3
182.99687	2.3
195.13857	0.8
199.58876	0.3
206.99675	3.3
225.00746	19.0
226.01123	0.6
243.01770	1.6
277.21689	0.4
295.22812	1.5
299.04428	2.4
356.92566	0.3
515.70135	0.3
595.27905	100.0
596.28259	8.8
602.93152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.95066	0.5
61.98816	0.8
63.96246	0.7
69.90820	2.2
71.01382	5.0
73.02956	0.8
78.98582	4.1
79.95734	8.0
80.96512	52.3
81.03440	0.9
82.96094	1.1
85.02953	2.2
87.00867	1.8
94.98077	13.7
96.14645	0.5
96.96010	1.6
97.02950	0.8
99.00874	1.0
101.02441	2.0
106.98076	2.1
122.97588	3.5
125.02411	2.5
127.04008	1.0
134.97577	3.6
136.99115	1.1
137.35672	0.5
148.99130	4.7
152.98619	6.1
164.98621	9.8
182.99661	1.6
188.10114	0.5
191.05507	0.5
206.99715	2.6
209.11736	0.5
225.00728	17.0
233.47273	0.5
243.01695	2.1
295.22803	0.9
299.04434	2.8
530.75336	0.5
559.25519	0.5
595.27826	100.0
596.28357	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
69.41409	0.7
69.42023	3.6
78.95901	71.3
82.60589	0.6
96.96951	13.5
98.20660	1.4
108.10223	0.7
150.98033	1.4
152.99577	81.1
153.99875	0.8
171.00600	2.1
174.02611	0.6
179.48448	0.6
210.69839	0.6
223.00114	8.1
241.01169	22.1
258.60379	0.6
258.68237	0.7
259.02081	1.4
279.23270	56.0
280.23651	3.6
315.04831	12.3
422.12317	0.7
533.68793	0.6
595.28876	100.0
596.29309	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	593.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03448	2.0
59.01377	100.0
61.98814	2.0
70.46109	2.7
71.01381	18.4
72.99319	1.1
73.02958	5.0
78.95905	1.3
82.36663	0.9
83.01363	3.0
84.14159	0.8
85.02956	9.6
86.00101	1.1
87.00862	1.7
89.02439	3.0
93.03468	2.0
95.01389	2.1
98.20630	1.2
99.00883	2.5
101.02451	9.0
106.85594	0.7
113.02441	10.2
119.03532	1.2
125.02402	1.3
133.02937	0.9
143.03496	1.8
161.04553	3.2
171.14131	0.8
173.04610	4.3
179.10759	1.6
191.05632	2.5
214.63161	0.8
239.09561	0.8
299.25815	1.8
345.30020	4.7
350.47202	0.8
358.64691	0.9
403.67310	1.1
459.33264	0.8
489.34323	69.2
490.34683	6.0
507.35364	29.7
508.35602	2.2
549.36572	9.3
593.29657	3.4
594.30396	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	594.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.7
64.16422	1.4
70.86900	1.4
70.87233	3.0
72.68630	1.1
73.02905	1.4
76.26632	1.3
77.29563	1.2
83.05026	1.4
86.60966	1.2
87.04504	3.1
101.22588	1.4
131.07118	6.1
160.09822	3.2
209.74683	1.3
280.57047	1.4
337.34647	12.3
383.35248	6.9
426.39246	1.9
438.39825	1.6
558.47308	100.0
559.47626	9.6
594.45367	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	595.1665
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
58.45832	0.7
59.01375	1.6
60.07140	0.6
60.70237	0.6
65.00303	1.0
68.99789	0.8
69.42818	4.4
70.02990	0.7
71.01371	2.3
73.02943	0.7
79.01880	2.1
81.03456	1.9
83.01388	3.2
85.02937	1.8
88.03982	1.0
91.54121	0.6
93.03441	7.4
95.01373	2.0
95.02492	1.2
95.05015	0.9
96.96027	4.7
97.02935	5.1
99.00856	1.3
101.02440	0.9
105.03482	1.3
107.01389	5.9
107.05022	0.8
109.02916	2.8
111.00841	0.9
111.04504	1.9
113.02428	1.2
113.03552	5.3
114.01986	4.5
117.03487	1.3
119.05021	37.2
120.05327	0.8
121.02937	4.2
123.00880	1.6
123.04542	3.3
125.02434	6.5
131.04601	17.2
132.02995	3.8
133.02940	1.7
133.06593	0.8
135.04533	3.2
136.01660	1.1
137.02440	4.8
137.06071	1.0
139.03987	5.0
143.05017	4.0
145.02937	6.4
147.04494	3.3
149.02434	4.9
149.05959	0.7
150.03189	1.4
151.00359	4.3
151.03947	1.8
155.03523	1.2
159.04530	1.7
161.06108	2.6
162.03264	1.0
163.00368	3.8
163.03961	2.7
164.04776	1.4
165.01920	4.6
165.05576	0.8
167.03471	9.9
173.04553	2.4
173.05911	0.8
175.04005	1.4
176.01134	0.7
177.01930	5.0
177.05533	1.2
178.02716	0.8
179.03442	4.1
180.04146	0.7
185.02391	0.7
185.06035	1.3
187.04007	5.6
188.04771	0.7
189.01961	1.1
189.05449	0.7
191.03520	4.0
191.05591	6.7
192.00583	1.5
193.01413	9.6
193.04942	1.6
197.04500	1.9
197.06110	1.4
197.11699	1.1
199.07649	3.0
201.05559	0.7
203.03494	1.3
203.07092	0.7
205.01379	7.7
205.04906	1.1
206.02148	0.6
207.03017	3.1
209.04510	4.0
209.11877	0.7
211.07736	0.8
217.01433	1.3
219.02950	3.6
221.04520	1.7
223.02493	2.0
223.07610	0.9
227.07137	2.1
229.04984	0.8
233.04533	1.6
235.02463	13.6
239.05545	2.1
241.08711	1.5
243.06496	1.0
245.08334	0.9
247.02457	2.4
249.03812	1.3
261.04028	1.9
265.03491	4.4
265.08713	1.3
267.06516	1.3
271.06128	5.5
281.08145	1.4
283.06119	1.5
283.09348	1.1
313.07178	15.4
314.07425	1.1
325.07071	8.2
326.08054	0.9
327.08621	0.8
339.08786	1.2
343.08212	7.9
355.08182	78.9
356.08649	4.9
367.08072	6.3
369.09793	1.5
379.08109	0.9
385.09250	65.8
386.09656	3.7
397.09238	3.2
415.10287	16.2
427.10306	1.7
439.10196	0.8
457.11362	6.9
458.11633	1.0
475.12415	34.9
476.12839	2.2
487.12250	5.1
505.13397	9.3
506.13635	0.9
535.24396	0.7
577.15686	3.7
595.16632	100.0
596.17029	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01378	100.0
60.01709	1.0
61.98816	1.3
71.01376	13.3
71.56229	1.6
72.99291	2.7
73.02938	4.4
78.95883	1.3
83.01389	3.2
85.02934	6.7
89.02443	2.7
93.03453	3.8
95.01367	2.0
96.96014	1.4
99.00919	1.2
101.02454	8.0
113.02451	8.3
124.57879	1.0
135.04498	2.3
137.54979	1.0
145.59868	1.2
161.04591	2.4
173.04573	8.6
173.05965	2.2
179.03490	1.5
181.12285	2.7
191.05618	9.3
225.11363	1.1
299.25879	3.0
327.14487	1.6
345.30154	5.5
369.13101	1.2
373.15808	1.1
374.97839	1.3
387.14688	1.7
401.15930	1.6
419.17023	1.5
489.34329	56.0
490.34549	4.0
507.35541	11.6
508.35559	1.5
549.33453	4.4
593.29279	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
66.54146	0.5
69.81331	0.9
69.81731	2.6
70.16371	0.5
78.95906	80.8
85.46771	0.7
94.56341	0.6
96.96960	14.8
101.12169	0.5
105.70794	0.5
136.99287	0.5
144.03474	0.6
150.98000	1.9
152.99593	100.0
153.99927	0.9
157.41054	0.6
171.00648	2.5
184.22148	0.5
223.00104	12.7
241.01195	25.3
242.01605	0.7
243.17993	0.6
259.02240	1.4
277.21716	56.4
278.22122	3.0
299.46799	0.7
306.10077	0.7
315.04904	11.9
333.05725	1.1
439.80560	0.6
593.27307	71.4
594.27545	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41285	0.6
59.01363	0.8
69.37362	5.3
69.66843	0.8
78.95902	62.6
86.29741	0.7
96.96965	11.8
150.97963	0.9
152.99577	55.4
160.21962	0.7
171.00558	0.9
223.00093	1.6
241.01178	27.4
277.21716	49.2
278.22034	2.7
294.26639	0.8
315.04837	7.4
330.14197	0.7
413.21063	5.4
417.74451	0.8
593.27289	100.0
594.27527	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	593.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21735	0.3
56.35830	0.3
59.01367	1.1
61.98827	6.3
63.96230	1.0
65.02489	0.3
69.03061	0.3
69.03458	0.3
69.49010	0.9
69.49438	1.1
71.01380	5.6
73.00235	0.3
73.02951	1.3
75.00900	0.3
78.98583	4.4
79.56831	0.3
79.95731	16.9
80.96513	52.1
81.03447	0.6
83.01387	0.5
85.02944	1.7
87.00867	2.3
92.86282	0.3
94.98083	12.8
95.01383	0.6
96.96012	1.0
97.02937	1.3
99.00883	0.5
100.11613	0.4
101.02437	1.8
103.46474	0.3
106.98108	3.0
113.02430	0.6
121.10178	0.4
122.97581	3.6
125.02457	2.8
127.03985	0.7
134.97598	3.7
136.99123	1.3
143.03563	0.5
148.99124	4.7
152.98636	5.1
159.10019	0.3
161.04477	0.6
164.98618	10.0
171.10287	0.7
175.82161	0.4
179.00151	0.4
182.99629	1.7
188.98685	0.4
191.05589	0.5
195.13812	0.4
206.99702	2.6
225.00720	15.3
226.00983	0.3
241.00089	0.7
243.01816	0.7
295.22736	1.5
299.04431	2.7
315.03860	0.5
371.06558	1.0
399.09814	0.7
413.11035	0.6
427.12875	0.5
455.15817	1.3
469.05350	0.3
520.30273	1.3
524.19391	0.4
593.26324	100.0
594.26605	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	593.2632
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
58.52141	0.3
59.01366	1.0
61.98825	9.5
63.96239	0.6
69.40567	2.2
71.01377	5.4
73.02936	1.4
75.15496	0.3
78.98582	4.5
79.95731	26.9
80.96513	45.3
81.03446	0.9
85.02938	1.5
87.00874	1.3
94.97476	0.7
94.98084	10.8
96.96013	1.3
97.02938	1.5
99.00847	0.6
101.02436	2.4
106.98097	2.0
113.34589	0.3
122.97579	3.5
125.02455	2.0
127.04001	0.6
134.97578	3.5
136.99121	1.2
148.99142	4.6
152.97440	0.6
152.98622	5.1
161.04547	0.6
164.98615	9.4
165.00018	0.5
179.00305	0.4
182.99635	1.5
188.98637	0.5
195.13774	0.4
197.04579	0.4
206.99689	2.6
223.13458	0.4
225.00740	17.1
226.00984	0.5
241.00284	0.9
243.01862	1.7
293.21338	0.6
299.04391	3.7
315.03738	0.4
371.06390	1.8
385.07825	0.6
399.09583	1.6
413.11392	0.8
427.12903	0.4
427.20728	0.4
441.14337	0.7
455.15958	1.4
481.17477	0.4
495.19128	1.7
523.18585	1.1
524.19305	0.7
593.26318	100.0
594.26685	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81895	0.5
59.01372	3.6
70.02983	0.5
71.01385	3.7
71.54934	1.1
72.99317	0.7
73.02961	0.6
74.48316	0.6
78.95925	0.9
83.01389	0.8
85.02956	1.9
87.00877	0.7
89.02456	1.8
93.03455	2.4
93.97219	0.6
96.96005	5.2
101.02441	1.6
105.01937	1.0
109.16494	0.5
111.04484	0.6
113.02464	1.8
114.05668	0.6
114.32255	0.5
117.03452	3.1
119.03492	0.7
119.05038	1.3
121.02969	0.8
125.02426	0.8
134.03662	0.8
135.04521	1.9
138.02037	1.3
146.03717	0.5
147.04498	0.9
149.02397	0.7
156.50888	0.7
159.04486	0.8
159.10208	0.5
160.15364	0.6
161.02449	2.3
163.00360	0.6
163.03981	1.8
172.07813	0.7
173.04581	2.6
173.05872	0.6
175.04028	1.6
177.01787	0.7
177.05545	1.5
177.09026	0.7
179.03487	0.8
191.03758	1.0
191.05606	10.6
193.05052	1.3
195.10242	1.5
197.06073	0.9
203.03514	1.0
214.08437	0.6
233.04553	0.8
235.07713	0.6
253.04984	0.6
254.05652	0.7
267.06573	0.6
268.03769	0.6
268.07504	0.8
269.04550	0.8
281.04562	6.3
282.05310	26.3
283.06027	5.2
284.06314	0.8
293.04596	1.6
294.05292	1.0
295.06113	3.0
296.06784	2.0
297.07700	13.2
298.07919	0.7
307.06067	1.6
309.03998	1.0
309.07764	1.2
311.05569	7.7
314.04190	1.1
321.04111	0.7
323.05490	3.0
325.07211	5.6
326.07141	0.7
328.05887	2.0
335.05667	1.1
337.07166	1.8
341.06613	1.4
341.50702	0.6
351.05054	0.7
353.06665	30.5
354.07117	2.6
355.08252	1.3
356.05295	1.1
365.06665	3.6
381.06174	0.6
383.07700	17.6
384.07941	1.1
395.07690	1.9
397.13544	2.2
413.08826	1.7
415.14722	0.7
425.08600	0.8
473.10898	22.3
474.11334	1.8
485.10870	0.8
503.11905	6.6
575.14008	0.8
593.15088	100.0
594.15332	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55758	0.4
69.54616	3.1
71.01390	0.6
79.01875	0.5
81.97942	0.4
85.50873	0.5
93.03458	1.7
98.20612	1.0
117.03466	5.6
119.05049	1.2
123.93366	0.4
131.04958	0.5
135.04512	1.8
145.02927	0.8
146.24948	0.5
147.04529	0.8
149.02470	0.8
154.59674	0.5
157.44025	0.4
159.04575	0.9
161.02437	1.4
161.06087	0.4
163.03987	1.6
173.05991	0.5
175.04045	1.1
177.01909	0.9
177.05508	1.2
179.03561	0.7
191.03499	1.7
197.06047	0.7
203.03427	1.3
205.05110	0.5
221.04332	0.7
224.08623	0.4
233.04686	0.6
245.04399	0.6
251.07149	0.7
253.08708	1.0
265.05045	0.4
267.06662	0.8
268.07428	0.9
281.04565	0.9
282.05319	2.1
283.06113	3.1
295.06079	3.7
296.06888	2.7
297.07672	20.1
298.08044	0.7
307.06253	2.3
309.07666	1.7
311.05490	2.4
322.04852	0.7
323.05481	3.3
324.06409	0.9
325.07187	9.5
328.05847	2.5
335.05560	1.0
337.07166	2.7
341.06583	1.0
351.04919	1.0
353.06656	41.9
354.06943	2.6
355.08115	1.2
356.05475	0.9
365.06699	4.1
374.65994	0.5
383.07712	24.7
384.08051	1.6
395.07721	2.7
397.09152	0.7
413.08792	1.8
425.08755	1.1
473.10870	10.5
474.11230	0.8
503.11826	2.8
575.13867	0.9
593.15106	100.0
594.15521	9.7
619.73560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
59.01378	12.8
61.86789	0.6
70.02988	1.4
71.01379	9.0
71.55286	0.9
72.99314	2.1
73.02940	3.4
74.75756	0.7
75.00889	1.4
77.03987	1.8
79.01893	1.6
80.58415	0.7
83.01377	1.5
84.04526	0.9
85.02971	4.7
86.35103	0.7
87.00879	18.2
88.00412	1.3
88.01217	1.8
88.98808	3.4
89.02446	3.9
93.03468	3.0
94.03023	0.9
96.26109	0.9
96.96004	10.4
98.02482	4.6
99.00954	1.4
101.02428	4.8
105.03442	1.0
111.00886	4.5
113.02444	3.7
117.03468	9.1
119.03523	1.5
119.05018	1.6
121.02972	2.3
125.02449	1.1
129.01950	1.0
130.08749	0.8
133.03035	1.0
134.03714	1.0
135.04533	1.5
141.01910	1.7
147.04523	1.1
149.02472	1.1
155.03568	1.0
159.03026	2.0
159.04504	2.2
161.02475	3.3
163.04007	2.0
165.01927	1.5
173.04518	4.4
175.00377	1.3
183.04491	1.0
191.03844	1.0
191.05598	6.5
193.05031	1.7
196.05183	0.9
197.06113	1.6
211.07690	1.4
227.03532	1.2
227.16574	1.1
239.07158	3.1
268.03870	1.2
269.04428	1.5
281.04584	5.7
282.05307	4.2
283.06116	53.5
284.06488	2.9
285.03998	0.9
293.04489	4.6
297.07684	1.0
307.06137	2.3
308.03522	1.1
309.04068	3.1
309.07700	2.4
311.05597	100.0
312.05829	5.7
314.04333	1.8
321.04114	1.8
321.07602	1.1
325.07169	12.0
331.11700	0.9
335.05670	4.0
349.07224	2.9
353.06641	24.2
354.07031	1.8
360.23929	5.4
361.24152	6.2
365.06564	1.0
367.07922	1.2
377.06537	3.2
389.23691	1.6
395.07681	4.3
413.08746	11.7
433.22498	1.3
488.28455	0.9
489.29123	1.0
490.29898	2.2
508.30777	1.1
522.29120	15.5
550.29047	0.9
593.15082	92.2
594.15381	9.8
594.26440	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	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49765	0.1
61.98826	100.0
64.27055	0.1
69.89841	0.5
71.01393	0.4
78.98590	0.3
79.95731	1.8
80.96512	4.4
85.02974	0.2
87.00908	0.3
94.98098	0.9
96.96036	0.1
97.05638	0.1
98.19917	0.2
101.02424	0.3
106.98103	0.2
122.97589	0.3
133.88521	0.1
134.97552	0.3
136.99138	0.2
148.99159	0.5
152.98672	0.4
164.98604	0.8
206.99731	0.3
225.00717	1.1
288.48099	0.1
295.21924	0.1
299.04480	0.3
304.69937	0.1
371.06796	0.2
385.08633	0.1
432.25040	0.1
592.25073	0.7
593.26318	10.5
593.84100	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
57.03447	1.8
58.00610	1.1
58.02994	1.1
59.01380	30.7
61.98822	7.9
69.03455	1.5
70.02985	3.1
71.01380	42.4
72.99324	3.2
73.02942	9.5
75.00866	1.3
78.95900	11.8
83.01388	7.7
85.02948	15.7
86.00132	1.5
86.02472	12.0
87.00878	3.5
88.98822	3.4
89.02448	3.1
93.03466	3.9
95.01395	3.4
96.95999	5.1
96.96983	1.0
99.00882	4.0
100.04078	2.2
101.02433	18.8
111.00858	1.5
112.01615	1.1
113.02446	11.4
116.03565	2.0
119.03475	1.0
124.01676	1.2
124.96524	1.1
125.02431	2.1
129.24742	1.0
133.03004	1.1
135.04541	1.2
143.03477	2.4
152.99588	13.5
155.03531	1.3
159.02974	1.6
161.04570	2.3
173.04539	8.3
186.76552	1.0
191.05620	10.1
239.20187	2.0
255.19664	1.4
262.21786	1.5
314.23920	1.2
326.23123	1.2
344.24429	2.4
374.26230	1.1
387.23923	2.4
399.23523	1.4
417.24878	6.7
424.26843	1.3
425.25317	2.9
443.26251	2.0
460.29050	2.6
470.27692	4.6
488.28604	100.0
489.28836	9.1
502.30164	14.4
503.30518	1.2
506.29590	24.7
507.29913	2.4
520.31262	34.8
521.31647	2.8
532.31732	1.5
536.88208	1.1
548.31445	2.1
592.28766	15.7
593.29388	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98830	100.0
67.44779	0.1
67.62423	0.2
70.15929	0.2
70.83961	0.5
71.01392	0.4
72.41256	0.2
73.02939	0.2
78.95909	0.2
78.98611	0.2
79.95734	0.5
80.96513	2.1
85.02939	0.2
87.48143	0.2
94.98106	0.6
121.02967	0.4
122.97606	0.2
134.97578	0.2
142.08420	0.2
148.99216	0.2
152.98618	0.3
164.98640	0.5
174.01735	0.2
225.00778	0.6
253.09326	0.4
254.09618	0.3
287.05978	0.2
293.21176	0.4
294.21545	0.6
295.22665	0.7
296.23056	1.1
360.36682	0.2
593.17102	0.2
593.26251	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03434	1.9
59.01384	31.2
60.01687	0.8
61.98836	5.8
64.08345	0.8
69.03454	1.7
70.02993	4.0
71.01386	37.3
71.56188	0.8
72.99298	2.2
73.02950	8.6
75.00883	0.7
78.95905	13.4
81.03396	0.7
82.02991	1.0
83.01408	7.0
85.02959	12.5
86.00090	1.7
86.02485	10.3
87.00859	2.4
88.04019	0.9
88.98206	0.6
88.98783	3.4
89.02444	2.4
93.03453	2.6
94.17191	0.8
95.01381	2.5
96.96008	3.7
96.96962	1.5
97.02959	1.7
99.00886	3.6
100.04050	2.8
101.02448	16.6
111.00886	2.2
112.21111	0.6
113.02455	8.3
116.03558	1.4
119.03468	0.8
121.27293	0.6
124.01657	1.6
125.02435	3.1
129.01984	0.8
133.02956	1.1
135.04529	0.7
135.63632	0.7
143.03529	1.1
152.99590	16.0
159.03036	1.2
161.04518	2.0
173.04564	6.0
191.05589	6.4
218.72354	0.7
225.18446	0.8
233.34738	0.8
239.20068	1.6
255.19664	1.7
262.21542	1.2
263.20206	1.0
326.23260	1.2
344.24399	2.9
353.63171	0.7
369.23083	0.8
387.23770	2.6
417.25137	6.4
425.25366	2.2
442.27878	1.2
443.26413	1.0
460.29156	2.1
470.27502	5.1
471.27924	1.0
488.28647	100.0
489.28934	6.0
502.30219	13.4
503.30472	1.6
506.29660	24.6
507.30173	1.4
520.31299	34.2
521.31714	2.6
548.30969	1.6
592.28754	19.4
593.29059	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.01413	0.1
79.95757	0.2
80.96502	1.0
92.35739	0.1
94.98119	0.3
106.27477	0.1
148.99167	0.2
164.98547	0.1
225.00800	0.3
293.21326	0.2
294.21622	0.2
370.90790	0.1
592.25220	0.4
593.26288	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23701	0.2
55.01881	0.6
57.03456	0.3
57.12424	0.2
59.01383	2.0
61.98832	0.5
63.94440	0.2
64.21687	0.2
66.03513	0.4
68.99822	0.4
70.02967	0.8
71.01382	2.4
71.56026	0.4
72.99316	0.3
73.02945	1.6
75.00856	0.6
83.01381	0.9
85.02939	1.3
87.00877	100.0
88.01228	0.8
89.02435	0.5
93.03459	0.9
96.04550	0.7
96.96021	2.3
98.02474	3.8
99.00881	1.0
100.04098	0.3
101.02461	1.4
109.02971	0.5
111.00886	3.4
113.02426	1.4
117.03477	0.3
125.02423	0.5
128.03555	0.4
129.01953	0.9
130.05167	0.2
131.03474	0.4
137.02472	0.6
141.01965	1.3
151.00349	0.4
159.02998	2.8
167.03468	0.4
173.04533	1.0
183.02989	0.3
191.05600	1.5
200.60323	0.2
211.02492	0.7
227.16571	0.6
258.54330	0.2
281.04794	0.4
283.06116	1.7
294.20856	0.5
311.05606	2.7
344.24396	2.4
353.06628	0.8
360.23904	9.2
361.24310	0.5
383.07684	0.4
388.23419	2.0
413.08655	0.3
432.21729	1.0
488.28354	0.6
489.74597	0.3
556.27722	0.3
574.28760	1.5
592.11633	0.8
592.29016	2.3
593.14966	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	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28831	0.2
53.00823	0.2
61.98829	100.0
69.69358	1.0
71.01392	0.5
79.95728	1.4
80.96516	3.5
80.96957	0.3
83.28799	0.2
94.98078	0.8
101.02461	0.2
133.85471	0.2
144.74426	0.2
148.99141	0.3
152.98647	0.3
164.98653	0.6
186.61700	0.2
187.38498	0.2
194.86481	0.2
225.00639	0.8
294.21463	0.2
495.19391	0.2
592.25238	0.7
593.26337	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	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
70.80628	0.3
71.55998	0.4
71.56352	0.4
106.06625	0.4
146.02434	0.3
162.64679	0.3
193.17490	0.3
211.07941	0.3
325.88046	0.4
339.68628	0.4
396.17267	0.4
429.16400	0.4
443.22693	2.3
444.19556	0.6
445.20148	1.1
445.24948	0.5
453.49118	0.3
455.22220	0.7
456.23285	0.7
457.20654	0.6
458.21149	0.8
459.21857	2.4
461.23746	0.4
467.18814	0.5
471.21368	1.6
471.25934	1.7
472.17569	0.4
472.22815	1.3
473.23105	1.0
482.20947	0.9
485.19635	2.0
487.25626	2.8
488.21783	0.5
497.23517	3.6
499.21417	3.4
500.22101	12.4
501.22507	1.0
504.21310	0.7
513.22809	0.7
514.23737	0.8
515.24481	100.0
516.24817	10.7
518.22919	0.5
519.24597	0.6
559.23383	5.4
560.23438	0.8
591.26440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11463	1.1
57.03428	2.5
59.01378	100.0
61.98815	3.9
67.33871	1.1
71.01379	24.6
73.02946	4.6
78.95908	8.5
82.95417	3.7
83.01369	3.2
85.02955	13.0
87.00883	2.6
89.02424	3.6
93.03452	3.8
93.07058	1.8
95.01377	2.1
96.95990	3.6
97.06574	1.1
99.00900	3.1
101.02444	11.6
107.01399	1.5
113.02442	10.8
125.02444	1.3
143.03568	1.4
152.99583	8.5
159.03004	1.4
161.04515	7.1
173.04564	10.5
191.05606	4.6
267.69266	1.3
268.43381	1.2
272.37640	1.3
313.38873	1.5
343.28574	1.5
357.22873	2.0
375.23889	4.3
452.43860	1.2
487.32767	59.0
488.33112	4.5
505.33853	22.9
506.34296	2.0
547.34766	4.3
591.28516	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	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75059	0.7
53.26250	0.8
55.01872	1.5
57.03458	1.8
57.19430	0.9
59.01381	100.0
61.98832	1.0
70.00625	1.9
70.01046	2.5
71.01383	19.1
73.02941	6.2
78.95916	2.5
83.01414	4.0
85.02959	12.4
89.02457	3.6
95.01389	2.4
95.60899	0.8
95.88480	0.9
99.00864	2.8
101.02444	12.4
112.12987	0.8
113.02454	11.2
119.03494	2.1
121.10245	1.9
125.02441	1.4
143.03452	1.0
152.99590	4.0
157.47015	0.9
159.02982	1.0
161.04541	8.5
181.26607	0.8
185.15489	1.4
186.96921	0.9
191.05634	1.1
264.22928	0.8
276.30026	1.0
310.71255	0.9
343.28445	1.0
347.20624	2.1
445.91385	1.1
487.32770	65.4
488.33237	6.4
505.33835	24.5
506.33939	2.0
547.34839	8.6
591.27441	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	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07615	0.4
59.01372	5.3
60.78054	0.4
61.98809	0.4
65.69975	0.4
67.35297	0.4
67.84559	0.4
70.52159	1.3
70.84749	0.4
71.01379	1.6
71.33447	0.4
73.02955	0.8
83.01378	0.6
83.05008	0.4
85.02941	1.4
87.00864	0.7
89.02435	0.9
93.03449	1.0
95.01388	0.7
96.95993	1.4
97.95619	0.4
99.00909	0.5
101.02436	1.1
104.27977	0.4
108.02197	1.4
109.02942	1.0
113.02468	1.4
121.02953	2.0
122.03735	0.8
123.00874	1.2
123.04517	0.6
124.01634	0.6
125.02447	0.6
133.02974	0.8
135.04498	0.7
136.01656	35.9
137.02451	6.4
139.00398	0.4
149.02420	0.9
149.06116	0.4
151.00365	8.1
151.03999	54.1
152.01166	3.1
152.04601	1.6
159.04445	1.0
160.05283	1.2
161.02473	0.5
162.03206	0.7
163.04027	0.7
164.04741	0.5
166.02707	25.8
167.03499	5.1
173.04559	1.8
175.03932	1.0
175.07683	0.7
177.01955	2.0
177.05579	1.0
177.31021	0.4
179.03516	0.5
181.05051	33.6
189.05588	0.9
190.06351	0.8
191.05626	2.3
193.05051	0.5
199.74403	0.4
205.08569	0.4
246.73552	0.4
279.62451	0.4
286.08493	0.5
299.09235	0.6
323.09277	0.6
329.10190	1.9
339.08920	0.7
357.09760	12.4
358.10278	0.5
369.13266	1.0
372.12027	7.3
373.12726	0.6
383.10889	0.6
387.14456	100.0
388.14786	6.5
413.12320	0.8
415.12805	1.5
437.40906	0.4
495.69516	0.4
529.27277	0.4
547.27692	3.0
553.49054	0.5
591.29401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97001	0.6
57.03449	0.8
58.13702	0.6
59.01382	24.0
61.98821	1.6
69.95345	0.6
70.92734	1.0
70.93047	0.7
71.01396	4.5
73.02969	1.1
85.02950	1.1
87.00946	0.8
89.02449	4.0
95.90051	0.6
101.02451	5.5
113.02422	1.9
113.09729	2.4
119.03490	1.1
121.10233	4.0
161.04550	2.2
167.10782	0.6
171.10271	12.0
183.10272	1.1
183.13895	1.7
186.69260	0.6
191.16742	0.7
195.14059	1.1
231.21191	1.5
235.08295	1.2
235.17036	2.2
253.09277	25.0
254.09500	0.8
275.20166	20.1
276.20563	1.1
293.21234	100.0
294.21594	5.5
529.30640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74633	0.6
57.03451	1.4
58.00594	0.6
59.01379	100.0
60.01701	0.6
61.98834	0.9
69.26246	2.6
69.26678	2.6
71.01382	11.5
71.05023	1.5
73.02954	4.3
77.60758	0.7
83.01406	1.5
85.02951	6.3
87.00911	1.2
89.02456	1.8
93.03413	1.0
95.01402	0.7
97.02988	0.8
99.00890	1.4
101.02448	8.9
111.00913	0.7
113.02444	7.2
125.02480	2.0
143.03470	1.3
151.27150	0.7
159.02980	0.8
161.04509	6.4
173.04552	4.9
185.15533	1.1
251.20227	1.2
281.25021	0.8
283.13434	0.9
293.24908	0.9
293.62106	0.6
305.24881	0.8
311.25925	1.6
319.42606	0.6
323.26025	0.8
325.27704	0.8
339.89725	0.6
340.44492	0.6
341.26971	9.9
342.27454	0.8
344.96521	0.7
365.27005	0.9
383.28183	0.9
437.29108	1.2
467.30722	0.9
485.31168	38.3
486.31848	2.6
503.32260	9.1
504.32648	0.8
545.33429	0.9
589.29871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03460	1.6
59.01379	100.0
60.01720	1.0
61.98851	2.4
71.01381	17.9
73.02950	4.7
73.84286	0.9
78.95881	1.3
82.95420	1.3
83.01385	2.5
85.02946	10.0
87.00900	1.1
89.02464	3.7
93.03477	1.8
95.01392	2.4
96.96004	1.6
99.00893	2.9
101.02451	9.5
102.08694	1.1
113.02448	12.5
143.03494	1.8
151.17868	1.0
151.97919	1.0
159.03003	1.0
161.04549	4.6
173.04543	2.3
191.05576	3.3
196.26405	1.0
262.16901	1.0
341.26807	1.3
375.24261	1.2
449.28760	2.1
467.29996	5.2
485.31195	38.4
486.31366	2.9
503.32291	21.5
504.32693	1.8
545.33148	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	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
61.98834	100.0
69.86205	0.3
69.90250	1.5
80.96516	0.6
118.64560	0.3
132.22781	0.3
174.57417	0.3
210.12349	0.3
292.20242	0.4
361.73141	0.3
407.43954	0.3
445.41345	0.3
591.25031	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	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.3
61.98574	0.9
61.98832	9.5
71.01376	6.7
71.05022	2.5
73.02940	1.6
85.30968	0.8
87.00874	1.1
89.02452	3.6
96.95998	1.5
101.02428	5.4
113.02432	2.4
137.06613	0.9
142.39828	0.8
143.73389	0.8
161.04535	3.2
209.15352	1.6
223.16957	2.3
231.21153	1.0
235.08249	1.4
235.17038	20.4
236.17494	0.9
253.09305	24.9
275.20151	23.5
276.20294	1.7
291.19559	1.0
293.21234	100.0
294.21661	5.8
434.67047	0.9
605.46246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.9
61.98829	1.9
66.67159	0.8
70.46309	2.4
71.01384	5.7
73.02949	1.0
78.91865	0.9
85.60507	0.7
87.00856	0.9
89.02430	5.0
89.25000	0.8
96.96001	2.3
101.02429	5.9
113.02451	2.0
113.09725	4.3
119.03513	1.4
121.10227	4.7
143.86559	0.9
148.51186	0.7
161.04514	1.4
171.10248	14.3
183.13852	1.2
195.13998	1.1
231.21054	1.2
253.09267	27.4
275.20108	18.7
293.21213	100.0
294.21606	6.2
326.30075	0.7
341.00497	0.8
426.68155	1.0
475.70483	0.9
526.49078	0.8
529.30078	2.4
587.99860	0.9
600.75983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.0
58.00588	1.9
59.01378	78.9
61.98826	4.3
65.00330	1.5
67.01886	1.8
67.26877	1.4
69.03430	2.4
69.29828	13.2
71.01380	49.6
72.99313	11.1
73.02944	37.1
81.03446	2.7
83.01388	6.8
85.02946	12.2
87.00876	5.2
89.01935	2.6
89.02448	40.6
89.20499	1.5
93.03434	2.7
95.01363	3.1
96.95994	9.4
97.02927	2.1
99.00874	100.0
101.02426	16.8
107.01359	1.7
113.02438	22.3
115.00389	2.1
119.03499	3.6
125.02426	4.8
127.03944	1.5
131.03497	17.0
131.25333	1.6
143.03496	4.4
149.04550	53.6
151.00311	3.5
155.03503	3.7
161.04546	12.1
173.04584	10.0
179.05542	1.7
191.05612	49.7
192.06036	1.8
203.05608	18.2
212.03593	1.5
212.82660	1.5
225.18085	1.7
233.06711	11.9
282.15048	1.5
285.03870	1.8
309.03854	1.7
335.09622	2.5
381.09506	2.5
383.07687	2.7
413.12625	9.5
503.24863	5.5
529.26605	3.4
545.25970	40.9
547.27374	2.4
589.15997	1.7
589.25085	4.8
590.31378	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59001	0.2
65.54813	0.2
69.20232	2.0
72.99306	1.4
75.00875	100.0
76.01215	0.7
78.95882	0.3
85.85333	0.2
116.53910	0.2
197.83405	0.2
277.21762	0.3
321.81659	0.2
326.41956	0.2
363.41901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97666	1.6
57.03439	3.0
59.01378	100.0
61.98823	3.5
71.01376	22.3
71.05009	4.4
71.56532	2.1
73.02937	8.1
83.01366	2.2
85.02942	7.1
87.00890	3.6
89.02435	9.2
93.03468	2.9
95.91936	1.8
96.95978	4.1
99.00916	4.2
101.02451	14.5
107.18691	1.9
111.04549	2.1
113.02433	8.9
116.93862	1.8
119.03446	2.5
134.54646	1.7
142.25958	1.7
144.96436	2.0
161.04599	1.7
163.24654	1.7
171.10255	2.3
173.04555	9.4
188.50797	1.7
191.05499	5.9
192.64871	1.8
283.13312	3.4
315.37094	2.0
341.26917	5.7
365.26895	6.9
383.15753	2.2
449.74057	1.9
485.31137	32.9
486.31522	2.5
503.32239	15.8
589.30133	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	589.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30035	0.5
54.50013	0.5
55.01878	1.8
57.03442	5.0
58.00592	0.9
59.01377	34.9
61.98830	2.6
67.01878	1.5
68.99819	1.1
70.88244	1.3
71.01378	23.4
71.01778	1.1
72.99297	4.6
73.02946	2.6
75.00873	10.1
76.49440	0.5
78.95926	1.0
83.01389	1.8
84.02186	1.0
85.02946	50.5
86.03296	1.0
86.41367	0.5
87.00877	8.2
88.98797	0.9
89.02437	4.7
93.03423	0.7
95.01380	13.9
96.96008	2.9
99.00877	20.0
101.02454	2.1
103.00375	8.3
111.00862	1.3
113.02444	100.0
114.02771	1.2
115.00326	3.8
117.01945	6.6
119.05010	0.6
129.01942	3.9
139.00386	1.3
140.09126	0.6
143.03491	0.6
157.01382	2.6
171.10316	0.6
173.04538	1.3
175.02457	31.0
177.01915	0.7
191.05598	2.2
255.02962	75.7
256.03421	3.2
268.04199	0.5
283.02457	29.2
284.03156	4.0
285.03708	1.1
381.09753	67.5
382.10104	3.5
413.12378	89.2
414.12622	5.8
485.31079	4.4
503.31921	1.8
547.43695	0.6
557.12646	0.8
589.15466	7.6
589.31683	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	588.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	12.1
59.01366	4.0
61.98827	19.7
63.42307	1.2
67.01878	4.4
68.77773	1.0
69.47562	3.6
69.47996	3.7
70.02975	6.7
71.01375	3.5
72.00900	2.8
85.02935	1.7
87.00895	1.2
87.45599	0.9
91.05532	3.9
93.03452	19.6
95.87167	1.1
96.95985	8.4
98.20644	1.5
111.04490	3.6
119.05022	9.1
134.82817	1.1
137.02444	3.0
142.78571	0.9
143.65190	1.0
147.04500	23.0
155.03456	2.2
160.80928	1.0
163.03998	13.0
164.07147	50.7
165.07487	1.6
173.04532	72.7
174.04826	1.8
191.05605	3.0
205.06125	1.2
206.08206	100.0
207.08559	2.6
214.97206	1.1
219.07622	1.6
231.62894	0.9
245.17337	1.0
304.22855	1.1
337.09256	23.0
339.11786	2.1
340.12067	2.8
468.13004	1.1
589.12720	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	588.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24147	7.7
52.51653	8.9
61.98816	27.9
70.11742	19.6
70.12132	20.6
72.61023	9.1
78.95894	10.2
79.76201	8.8
98.20618	11.9
100.33678	9.5
106.61295	10.7
152.99617	8.9
171.10278	26.1
224.75531	9.4
235.37418	10.5
236.80168	12.3
255.23395	11.0
277.21744	44.2
291.19601	16.1
293.21143	25.5
294.21512	12.0
295.22748	23.9
296.23004	9.6
309.20438	48.1
310.21051	51.7
311.22281	100.0
312.22604	56.6
363.81198	11.3
476.10742	10.0
552.50452	11.9
585.27136	12.6
588.47296	12.7
589.44397	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58570	0.9
57.03444	1.8
57.18127	0.8
58.15120	0.9
59.01376	100.0
61.98822	14.4
69.42645	6.8
71.01377	19.0
72.99306	1.6
73.02941	5.8
83.01373	1.8
85.02952	7.7
87.00880	1.9
87.04504	2.6
89.02446	7.9
93.03450	1.9
95.01385	3.0
96.96017	11.4
97.02940	1.0
97.06557	1.7
98.19933	2.0
99.00873	2.6
101.02438	13.4
101.06065	3.7
113.02444	12.0
115.00373	0.9
119.03479	3.2
125.02484	1.8
135.04480	1.3
143.03496	1.3
161.04549	5.0
161.57849	1.0
167.10789	1.1
173.04550	4.0
179.05592	1.9
191.05609	3.2
193.86630	0.9
221.30403	0.9
269.04626	1.6
339.25354	1.8
371.20795	11.0
383.11426	0.9
389.21606	2.1
395.24295	1.7
411.10623	1.3
413.25302	3.0
483.29599	18.8
484.30185	1.2
501.30606	14.4
502.31085	1.2
543.31970	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10212	0.6
57.03440	1.0
59.01376	15.5
60.89033	0.6
61.98828	1.7
69.56274	3.9
71.01388	4.3
81.89587	0.6
85.02934	1.2
87.00855	0.7
89.02438	3.4
96.17342	0.6
96.95998	1.9
97.06584	1.4
101.02437	3.3
111.08114	1.5
113.02437	2.4
119.03484	1.1
121.10217	6.1
125.09727	4.9
141.12883	0.7
147.08170	1.1
159.20598	0.9
161.04543	2.0
161.19670	0.7
173.04558	0.8
179.05620	0.8
180.80006	0.8
185.11810	8.8
187.09697	1.1
197.11812	2.2
209.11876	0.8
211.13393	1.2
251.05202	0.8
253.09259	19.5
254.09528	1.0
273.18546	2.1
291.19638	100.0
292.19937	4.1
309.20895	0.9
379.20493	0.7
527.28589	11.1
528.28870	1.1
587.30487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
59.01377	18.2
61.98819	3.4
68.58188	0.7
69.24309	4.8
69.24736	2.1
71.01382	4.8
71.05023	11.8
72.68922	0.7
73.02940	1.0
83.01426	0.8
85.02950	0.9
89.02441	3.5
96.95992	3.9
97.06570	4.1
101.02455	4.6
104.99395	0.8
111.08147	1.8
113.02425	2.0
159.50058	0.7
161.04507	1.8
173.04623	0.8
200.18095	0.7
207.13968	1.4
217.16013	0.8
219.13893	1.2
235.08032	1.0
235.16982	1.6
247.20718	1.7
253.09277	17.6
273.18588	2.2
291.19644	100.0
292.19882	4.7
309.20590	1.1
527.28510	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11033	0.4
59.01382	13.1
61.98815	1.4
69.48000	2.7
71.01379	4.2
72.99309	0.6
73.02943	0.8
77.62192	0.3
78.85622	0.4
83.01382	0.7
85.02952	1.2
87.00877	0.7
89.02452	4.9
93.03456	0.4
95.01386	0.7
96.96009	1.6
97.06609	0.5
101.02435	4.9
113.02469	2.4
116.41136	0.4
116.92883	0.4
119.03481	1.4
119.04981	0.4
125.06019	0.5
141.09209	0.4
143.03502	0.5
150.10544	0.5
161.04556	1.7
162.57568	0.4
163.11250	0.4
165.12852	11.7
171.10315	0.8
173.04535	0.8
179.05545	0.5
184.22118	0.4
191.05568	0.9
191.14336	0.5
197.11835	0.5
202.09991	0.5
221.05962	0.4
225.59593	0.3
247.20667	6.6
253.09280	20.1
254.09682	0.6
264.06607	0.4
273.18588	3.5
274.18683	0.5
291.19656	100.0
292.20044	5.2
314.37500	0.4
376.11432	0.4
393.35690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.24166	6.3
69.24598	5.2
71.01383	26.6
73.02952	26.0
76.32692	1.1
83.01398	5.2
85.02953	6.8
87.00852	1.2
89.02444	15.7
95.01406	1.4
99.00883	1.8
101.02447	23.5
113.02457	23.1
119.03478	7.4
131.03503	3.0
143.03496	3.5
149.04521	3.2
161.04599	10.0
179.05605	13.3
194.19249	1.2
218.35765	1.2
235.41678	1.3
483.29352	4.8
501.30429	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78001	1.4
56.98948	1.5
59.01376	100.0
70.83717	4.3
71.01378	23.7
73.02938	9.4
83.01413	3.6
85.02950	11.7
87.00862	3.0
87.04526	9.6
89.02438	15.0
94.54684	1.6
95.01376	3.3
96.95992	8.4
99.00882	3.4
101.02447	18.3
101.06086	6.8
113.02435	18.5
119.03483	3.7
126.23960	1.8
143.03453	4.9
161.04556	8.9
173.04555	2.2
179.05626	3.8
285.03995	3.3
286.04831	2.3
339.25400	5.4
352.36581	1.6
369.22775	2.4
395.23849	3.4
483.29584	51.1
484.30084	3.8
490.11163	2.5
501.30667	30.0
543.31653	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	586.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98503	0.1
56.82046	0.1
59.01377	1.4
61.98826	100.0
67.01895	0.2
70.88753	0.3
71.01373	0.9
73.02932	0.2
85.02971	0.3
87.00884	0.3
87.20914	0.1
89.02444	0.3
92.11807	0.1
93.03461	0.9
94.85961	0.1
96.96014	1.7
101.02453	0.5
102.23544	0.1
110.42338	0.1
111.00886	0.2
111.04537	0.2
112.77792	0.1
113.02410	0.3
119.05000	0.2
121.36270	0.1
123.04526	0.2
125.02443	0.2
135.04549	0.3
136.02020	0.1
137.02475	0.2
144.60995	0.2
151.00403	0.3
161.02455	0.2
173.04544	2.7
174.04919	0.2
177.01996	0.2
179.03467	0.2
187.18738	0.1
191.05562	1.2
225.11415	0.3
369.22702	0.2
382.10440	0.3
413.22073	0.4
424.91397	0.1
455.91525	0.2
526.36310	0.2
569.26587	0.2
586.16382	0.3
586.33978	0.4
587.27069	0.5
593.88086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37315	0.3
57.44923	0.4
59.01378	100.0
60.01694	0.7
61.98817	1.7
69.03468	0.3
71.01379	6.8
71.56902	0.5
71.86819	0.3
73.02943	2.9
74.13121	0.3
77.83334	0.4
78.91889	0.4
83.01392	1.1
84.30714	0.4
85.02957	2.1
87.00880	0.4
89.02444	3.8
93.03478	1.0
95.01393	0.4
96.96007	3.4
99.00888	0.4
101.02441	4.8
101.03030	0.5
105.03478	0.4
113.02451	6.4
119.03543	1.1
123.04620	0.3
131.03542	0.7
133.02959	2.5
134.03729	0.4
135.04556	0.6
137.02432	0.5
143.03487	0.7
149.04532	0.7
155.03566	0.7
161.04538	2.7
173.04579	2.4
177.01991	0.9
178.02698	0.4
179.03471	0.8
179.05602	0.6
191.04118	0.3
191.05630	1.8
200.00854	2.4
233.11499	0.5
255.03139	0.4
284.52936	0.3
300.94278	0.4
374.06165	2.7
393.13379	0.8
411.14474	0.6
465.28424	2.0
481.28156	0.5
483.30023	1.1
499.29156	0.4
585.19220	2.5
585.27112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98831	4.8
69.03429	1.1
70.07050	0.9
70.72368	0.9
71.01001	1.5
71.01377	18.0
71.56686	0.9
73.02945	8.3
75.00854	1.0
83.01383	2.0
85.02942	5.2
89.02436	8.9
93.03485	4.3
95.01389	1.9
96.96013	7.2
99.00863	1.2
101.02429	11.4
105.03423	1.2
111.04486	2.5
113.02438	13.4
119.03510	3.8
121.02983	1.2
127.03987	1.2
131.03537	1.3
133.02950	19.3
133.65273	0.8
134.03738	1.6
135.04510	2.4
137.02477	1.8
137.32948	0.9
143.03427	1.7
149.04576	1.0
155.03534	1.8
161.04614	5.3
173.04546	6.2
177.01894	3.2
178.02716	4.0
179.03430	2.7
179.05583	1.6
188.00806	2.7
191.05632	4.7
200.00890	19.5
206.11119	0.9
255.02928	3.4
283.02335	2.5
349.14005	1.2
351.07184	2.1
367.15295	3.1
374.06198	17.3
375.06363	1.3
393.13196	6.4
397.22205	1.1
411.14304	4.5
411.23962	4.7
418.40778	1.1
429.24829	4.5
453.24701	1.7
465.28360	2.2
471.25830	1.7
483.29636	2.3
488.09683	2.3
525.30334	1.1
585.19055	14.6
586.19659	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	585.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.5
59.01381	100.0
61.98831	1.9
69.03445	0.8
69.19836	5.3
71.01385	17.8
72.99330	0.6
73.02946	6.0
83.01404	2.1
85.02950	4.9
87.00906	0.8
87.70382	0.7
89.02450	9.7
89.02948	0.9
95.01398	1.3
96.96014	8.2
98.19869	1.1
101.02444	8.7
101.16789	0.7
113.02452	15.8
119.03518	3.6
131.03587	1.0
143.03511	1.9
149.04555	1.1
161.04556	5.8
162.08961	0.6
173.04762	1.0
179.05734	2.3
191.05605	1.1
221.06758	0.8
465.28531	9.9
465.34384	0.8
466.28922	1.0
483.29581	4.3
525.30853	1.3
585.27484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51996	0.1
59.01367	0.2
59.12286	0.1
59.74731	0.1
61.98827	100.0
62.98523	0.2
63.99250	0.1
70.40801	0.3
71.01401	0.1
78.61938	0.1
81.85914	0.1
85.02974	0.1
89.02454	0.1
93.03472	0.1
96.96014	1.2
98.95609	0.7
98.96376	0.1
173.04617	0.2
191.05598	0.2
197.98625	0.1
282.96002	0.1
585.28821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98828	100.0
62.45985	0.1
63.99264	0.1
71.01386	0.4
71.55013	0.1
81.34522	0.1
81.86695	0.1
85.02978	0.1
85.63116	0.1
89.02457	0.3
96.96016	0.6
101.02460	0.3
111.47260	0.1
113.02434	0.2
119.03526	0.2
149.02451	0.2
150.03268	0.5
150.04308	0.1
161.08217	0.3
161.69041	0.1
162.03290	0.1
165.05534	0.7
173.04552	0.2
177.05637	0.2
191.05568	0.2
195.06706	0.1
200.07462	0.1
203.09338	0.1
218.48384	0.1
302.05905	0.1
395.87552	0.1
457.20441	0.1
522.29376	0.2
525.30414	0.2
537.19562	0.5
549.25757	0.1
585.22113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
57.16293	0.9
57.58601	0.9
59.01378	45.3
61.98828	61.2
64.06296	1.1
69.53593	0.9
70.88405	1.9
71.01383	18.3
73.02947	10.5
73.14571	0.9
83.01410	1.7
83.05039	5.5
85.02950	6.0
89.02441	12.8
93.03436	3.3
95.01365	1.5
96.96005	9.0
98.95586	3.2
99.00890	11.2
101.02448	10.5
101.45017	1.1
109.06512	1.0
113.02454	7.8
116.92846	2.8
119.03519	4.6
121.02954	100.0
122.03271	1.9
128.03546	1.3
131.03459	2.4
133.02908	1.1
135.04497	1.7
141.89339	0.9
143.03516	1.2
149.02400	1.3
149.04527	3.9
150.03140	2.1
151.00316	1.1
155.03502	1.5
155.10764	1.9
161.04559	4.1
165.05528	1.8
171.10167	1.4
173.04581	5.5
173.05936	1.3
179.05489	1.0
191.05583	12.1
192.05812	1.2
193.08113	1.1
195.06664	1.6
203.05583	1.8
211.13376	1.2
217.10730	2.6
257.10291	2.0
287.11264	1.2
308.03598	1.1
311.05734	1.7
377.14529	4.5
381.09766	1.4
419.15536	30.1
420.15952	1.5
481.27890	2.0
499.28870	1.4
537.21381	1.1
560.39819	1.0
585.29144	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	585.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
58.00581	0.4
59.01379	4.3
61.13654	0.3
61.76418	0.3
61.98832	100.0
63.99266	0.6
65.00299	0.3
70.45096	0.3
71.01391	3.4
71.55203	0.4
71.55573	0.5
72.99345	0.3
73.02952	0.5
75.00867	0.5
78.91898	1.2
82.95424	0.4
83.01393	0.6
85.02956	1.2
87.00888	0.9
89.02438	2.7
93.03453	0.6
96.96020	5.8
97.02966	0.3
97.06599	3.3
98.95473	0.3
101.02462	2.2
111.00938	0.5
113.02473	1.0
118.99081	0.3
119.04967	0.3
123.08162	1.5
125.02493	0.4
125.09725	26.2
126.10068	0.5
135.04465	0.4
143.10764	0.5
150.03294	0.4
163.04002	0.4
165.05588	0.4
169.08698	0.6
170.54810	0.4
173.04521	0.7
179.05692	0.5
187.09763	20.3
188.10130	0.7
191.05563	1.9
196.52113	0.3
209.11871	0.4
221.06708	0.5
247.08052	0.5
261.13522	0.4
344.24374	0.5
363.56006	0.3
415.14435	0.8
537.20001	0.5
585.23962	37.3
586.24402	2.8
598.42249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33339	0.2
59.01373	0.5
61.37485	0.2
61.98828	26.1
69.84114	0.2
71.01376	0.4
75.00875	0.5
78.95898	1.0
79.95741	2.4
80.67883	0.2
85.02940	0.4
87.00870	0.2
89.02468	0.2
93.03435	0.4
96.96008	100.0
97.95955	0.4
104.60567	0.1
112.98813	0.2
119.05025	0.2
124.66719	0.2
126.98767	0.1
135.03038	0.2
163.03963	0.3
173.04500	0.4
175.03935	0.2
179.05598	0.2
191.05629	0.9
227.96915	0.2
236.79140	0.2
278.48456	0.2
331.12234	0.2
334.22968	0.1
387.03836	0.2
405.04947	0.2
456.19162	0.2
469.13049	0.2
489.21463	0.5
495.07986	0.2
585.21619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2893
Annotation	Scutianine K
Peak:m/z	Relative Intensity
59.01375	48.4
61.98822	79.2
70.70287	38.1
71.22678	17.3
88.62683	17.3
89.02408	17.9
89.25006	19.7
93.03456	21.5
96.96014	100.0
173.04500	43.6
191.05576	41.1
209.63235	21.5
253.09181	17.9
275.13458	17.9
282.63602	19.2
311.22134	49.8
404.81543	18.4
498.29303	22.8
583.28412	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01376	1.6
61.98828	100.0
70.41061	0.2
70.41403	0.3
71.01387	0.7
73.02927	0.3
82.14928	0.1
82.95413	0.3
83.01424	0.1
83.05026	0.1
85.02963	0.6
89.02459	0.4
93.03475	0.5
96.96006	3.7
98.19981	0.2
98.95608	0.2
101.02451	0.5
105.71080	0.1
111.04539	0.2
113.02477	0.4
116.92861	0.2
119.05045	0.2
125.02493	0.2
135.04530	0.3
137.02444	0.2
151.00397	0.4
155.03549	0.3
163.04121	0.2
173.04559	1.2
179.03488	0.2
191.05602	1.4
211.13367	0.2
219.26105	0.2
365.68127	0.2
366.46313	0.2
381.09860	0.6
403.73758	0.1
524.34991	0.3
584.33185	0.2
585.16486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	48.4
61.98822	79.2
70.70287	38.1
71.22678	17.3
88.62683	17.3
89.02408	17.9
89.25006	19.7
93.03456	21.5
96.96014	100.0
173.04500	43.6
191.05576	41.1
209.63235	21.5
253.09181	17.9
275.13458	17.9
282.63602	19.2
311.22134	49.8
404.81543	18.4
498.29303	22.8
583.28412	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78305	0.1
55.48634	0.1
59.01380	0.4
61.98827	100.0
69.64940	0.8
71.01377	0.2
71.61365	0.1
73.02933	0.2
84.12399	0.1
85.02985	0.2
89.02470	0.1
96.96044	0.2
98.20593	0.2
101.02449	0.1
118.72440	0.1
191.05591	0.5
195.06670	0.2
360.23907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98831	100.0
62.98540	0.2
69.22504	0.2
69.22910	0.7
71.01392	0.2
75.96365	0.1
85.03043	0.1
85.33148	0.1
86.45331	0.1
90.87550	0.1
96.95998	0.9
98.49541	0.1
101.02467	0.2
127.76183	0.1
168.84343	0.1
191.05580	0.4
205.39159	0.1
281.22339	0.1
313.11096	0.1
360.24210	0.2
381.04440	0.1
483.19928	0.1
522.29175	0.2
523.29523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60649	0.7
71.01364	2.1
71.54227	0.7
71.54599	0.8
73.02936	0.8
85.02953	2.0
93.03450	1.3
95.01370	1.0
96.96020	0.9
101.02460	0.8
108.02171	54.3
109.02345	1.1
109.02964	14.9
119.05063	1.0
119.63439	0.7
121.02890	1.1
152.01154	47.3
153.01939	18.4
154.02190	0.9
163.03998	1.5
165.01949	2.5
186.06068	0.8
191.05629	3.5
196.78957	0.7
222.54712	0.9
303.01709	1.6
315.07211	100.0
316.07510	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	583.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82572	1.2
51.46693	1.1
59.01363	2.8
61.98830	8.9
64.02415	1.2
67.13316	1.2
71.01405	2.9
71.55126	1.6
81.93402	1.2
85.02934	2.4
89.91547	1.1
96.96017	5.8
99.00883	5.3
99.75687	1.1
108.02206	2.1
111.00872	2.0
115.58746	1.2
123.04523	2.2
134.03792	5.7
147.04462	1.8
148.05269	4.9
149.06078	5.5
159.03001	1.1
159.04503	1.6
160.05309	2.0
161.02440	1.8
162.03218	3.0
162.06889	3.3
163.04004	4.1
163.07666	1.9
165.05563	1.2
167.03604	1.2
173.06114	3.1
175.04004	2.1
176.04759	2.8
177.05502	11.3
179.07133	1.6
185.05835	1.4
188.04729	4.2
189.05537	2.1
190.02602	2.3
190.06358	1.6
191.03712	1.1
191.05577	2.0
191.07130	3.7
191.21165	1.2
193.05048	1.9
193.08691	1.8
201.05614	1.7
202.06335	3.6
203.07088	2.2
204.04276	2.5
205.05028	5.0
205.08600	2.3
205.66794	1.4
207.06601	5.1
214.93108	1.4
216.04262	5.2
217.04945	1.6
217.08681	8.7
219.06641	11.6
220.03717	1.8
221.08037	5.0
231.06636	13.0
233.04555	3.4
235.06094	20.3
249.07632	12.7
251.05540	11.2
261.07715	1.8
265.07108	3.1
273.07703	2.1
287.09592	1.3
291.08636	2.6
293.06689	15.1
293.12555	1.6
309.09653	1.8
353.08765	100.0
354.09128	3.9
413.10892	3.7
455.11365	1.5
515.14026	28.0
516.13580	1.5
583.14160	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	581.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.6
61.20198	0.3
63.96238	1.2
70.41195	1.3
71.01377	6.6
73.02945	1.5
78.54436	0.4
78.95902	0.7
78.98579	4.2
79.95732	8.0
80.96513	58.5
81.03432	0.6
85.02950	2.6
87.00869	1.9
87.88307	0.3
94.98083	12.5
96.96003	5.6
97.02946	1.0
97.36308	0.3
98.20068	0.5
99.00898	0.4
101.02457	2.1
106.98082	3.0
122.97573	4.4
125.02417	2.7
127.04012	0.6
134.97586	4.1
136.99182	0.7
148.99123	4.9
152.98624	6.7
164.98616	10.8
182.99716	1.7
206.99664	3.0
225.00725	15.8
243.01761	1.7
281.24866	2.6
299.04324	2.3
456.72131	0.3
520.50299	0.3
581.29944	100.0
582.30298	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
59.01373	0.8
60.92173	0.4
61.96849	0.4
61.98838	0.5
63.96248	1.0
69.03453	0.4
71.01385	6.5
71.55247	0.6
73.02956	1.3
78.95897	0.9
78.98592	4.7
79.95741	8.7
80.96522	56.7
81.03448	0.5
83.01414	0.5
85.02937	1.9
87.00868	1.7
94.97487	0.7
94.98092	12.9
96.96024	5.2
97.02950	1.7
101.02470	2.6
106.98111	2.3
108.06038	0.3
109.54722	0.4
115.92099	0.5
122.97600	3.7
125.02437	3.0
127.04015	0.6
134.97600	4.3
136.99171	1.1
141.10339	0.4
146.97589	0.4
148.99152	5.2
152.98634	6.6
152.99765	0.7
154.89847	0.4
164.98631	9.2
167.00246	0.5
182.99654	1.9
192.60645	0.3
199.35938	0.3
206.99725	2.7
225.00754	16.9
232.55818	0.4
243.01772	2.0
281.24969	2.2
281.27542	0.3
299.04425	3.5
581.30017	100.0
582.30225	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54408	18.6
62.46197	17.9
70.09075	62.5
77.55125	18.1
84.16732	18.9
96.96012	48.2
99.98600	18.8
173.04536	21.9
188.29771	18.7
197.11870	32.6
198.25926	18.3
253.09219	41.5
309.20734	70.3
311.09891	20.4
383.91971	22.0
497.05923	19.9
571.36121	17.8
581.19202	26.5
581.27454	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	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86402	1.4
57.03447	2.2
59.01383	14.3
60.99323	1.8
61.98833	13.0
63.73317	1.3
67.01884	5.3
71.01384	8.1
71.16489	1.7
72.99306	5.9
73.02934	1.9
75.14713	1.4
83.01411	1.8
83.05009	2.3
85.02956	6.5
87.00872	5.3
89.02440	1.8
93.03451	36.5
94.03786	1.7
96.96006	27.8
101.02468	3.3
109.02940	2.1
111.04529	8.2
113.02417	3.5
127.03939	1.9
128.53235	1.2
133.02924	4.3
134.03708	4.6
135.04552	7.9
137.02426	7.8
142.56577	1.4
147.04469	2.6
151.03947	1.9
152.52100	1.4
154.02725	1.7
155.03474	6.4
163.21661	1.4
172.05165	1.8
172.18399	1.5
173.04538	100.0
173.05899	3.9
174.04790	3.0
175.03906	2.4
176.08423	1.8
177.05521	2.3
178.02713	4.2
186.06871	2.7
187.04002	1.7
187.07596	7.0
189.05403	1.6
191.05602	37.4
201.05443	3.9
201.09146	1.8
202.06102	1.5
203.07100	8.9
205.08655	5.9
211.13422	13.5
215.07065	2.5
219.10229	2.4
229.08598	3.2
230.09401	3.8
232.07327	4.5
233.08278	10.8
247.09682	10.9
248.10432	3.2
251.09229	5.7
251.16429	2.9
253.09297	9.7
265.10593	3.4
291.19675	13.5
309.20654	4.7
327.15988	3.2
345.17041	5.6
353.13095	1.5
371.14954	5.1
376.45139	1.8
389.16037	11.8
407.17151	6.1
447.22198	3.5
484.15588	2.3
527.28583	9.1
545.29535	1.5
563.21399	31.2
564.21625	3.2
580.60449	1.5
581.28076	15.9
581.35223	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	581.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.5
61.98817	1.8
62.97781	0.7
69.73742	2.4
69.74153	1.5
71.01373	11.4
73.02940	3.4
75.00868	7.9
83.01382	3.3
85.02951	2.8
87.00864	18.3
89.02480	0.7
93.03468	1.8
95.01402	1.1
96.96015	4.4
98.19978	1.1
99.00877	8.7
101.02438	2.0
104.90424	0.8
111.00887	3.8
113.02462	1.8
113.99523	0.8
115.00365	100.0
119.05024	1.2
121.44664	0.7
123.04539	2.1
125.02372	0.9
126.91101	1.0
134.03731	6.4
136.01625	2.3
137.02411	1.5
139.00343	1.8
148.05284	3.7
149.06062	8.6
150.03256	1.0
151.03963	3.0
155.03468	1.1
157.01393	6.8
160.01633	1.3
161.02382	1.4
162.03238	2.6
163.03976	2.2
163.07550	2.0
164.04819	1.4
165.05521	1.3
173.04555	3.3
174.01688	12.1
174.03148	1.9
175.02470	69.1
175.03900	3.9
176.02774	1.6
176.04776	1.6
177.05568	2.9
187.03981	0.8
188.04745	2.0
189.05586	1.5
190.02800	1.5
191.05635	3.7
191.07091	1.3
192.04289	4.3
192.05872	1.5
193.05052	1.2
201.05507	1.0
202.06319	0.8
203.03497	2.1
204.04245	2.1
205.05072	2.2
206.05872	3.8
207.06561	10.1
216.04283	1.6
217.05042	3.2
217.08470	0.8
219.06572	6.6
220.07027	1.0
221.08142	4.6
230.05634	1.2
231.02933	2.3
232.03694	1.5
233.04585	1.0
235.05966	1.0
237.07719	2.3
246.05426	2.1
247.06134	7.4
248.06709	0.8
251.05507	5.0
265.07166	2.8
277.05557	1.1
279.08627	1.1
289.07193	3.4
291.05109	15.1
321.09784	18.8
323.07819	5.3
351.07288	2.1
357.90070	0.8
365.08838	3.0
383.09900	1.9
397.11319	1.2
399.12878	1.2
407.13452	2.8
413.10910	7.8
445.13504	2.6
451.12369	1.0
453.10229	3.9
483.14880	5.8
485.12924	32.3
486.13312	1.4
495.11365	1.2
527.13983	6.1
545.15369	2.6
576.95660	0.8
581.12885	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	580.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98789	0.3
59.01380	9.1
61.98830	40.0
63.00179	0.3
63.02404	0.8
65.00320	0.5
69.86141	1.8
71.01383	3.9
71.57581	0.3
72.99287	0.6
73.02946	1.5
80.52361	0.4
83.01402	0.3
85.02940	2.0
87.00865	0.8
89.02444	1.5
93.03455	1.5
95.01396	0.5
96.96022	1.8
97.60144	0.3
101.02436	2.1
107.01392	0.6
113.02455	2.1
117.03478	2.1
119.03490	0.6
121.02934	0.4
125.02415	0.5
125.18636	0.3
135.04515	0.4
143.82848	0.3
144.05777	0.3
147.33949	0.3
149.02417	0.7
151.00372	0.8
151.52098	0.3
159.04536	0.8
161.02490	0.9
161.04597	0.8
161.06123	0.5
173.04572	3.4
178.84346	0.3
183.04506	0.6
191.05602	3.1
197.06082	0.6
201.05582	0.7
202.06416	0.3
213.89168	0.4
225.05566	1.0
256.06882	0.4
268.03702	5.5
269.04547	100.0
270.04898	3.4
301.87329	0.4
311.05569	3.6
375.27588	0.6
389.16077	0.5
407.17203	0.5
423.11066	0.4
424.11209	0.8
431.09726	0.5
473.10913	3.0
519.31757	5.4
520.32117	2.4
537.33173	2.0
538.33368	0.8
544.15594	2.1
579.31451	0.7
581.21631	0.6
596.50525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13808	6.1
59.01382	6.6
61.98821	7.2
65.65526	5.1
70.78360	11.2
71.01379	10.3
73.87836	4.5
93.03465	15.5
105.03455	6.2
111.04486	6.4
133.02963	41.4
134.03770	47.9
135.04538	8.5
137.02415	14.4
155.03525	7.1
162.03346	5.5
173.04553	42.7
177.01947	24.7
178.02711	78.7
179.03377	8.2
191.05629	6.4
222.19350	5.2
231.10193	19.4
253.09290	8.5
275.09262	100.0
289.18027	19.0
296.84900	5.0
307.19183	9.5
321.30344	5.6
403.17905	7.0
404.17935	6.1
405.18396	8.7
421.57550	6.3
428.89700	6.6
449.14304	8.1
579.25726	39.0
608.68726	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	579.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90451	2.0
59.01376	3.9
61.98824	7.4
66.40107	2.2
67.01892	2.9
69.75182	11.1
71.01383	8.8
77.88660	2.0
85.02969	4.8
87.00861	2.5
93.03461	15.4
98.20692	2.4
98.39143	2.2
105.03445	7.1
111.04495	9.6
117.03523	2.9
121.02902	2.2
133.02954	38.6
134.03749	47.0
135.04445	10.6
135.96754	2.3
137.02429	12.9
139.03989	2.2
155.03493	6.6
162.03218	2.8
173.04527	32.1
174.04910	3.0
175.04964	2.8
177.01929	27.8
178.02705	73.6
179.03313	5.4
187.07614	2.2
191.05600	7.9
192.04279	8.4
193.04530	2.4
231.10258	16.4
232.10764	2.2
275.09241	100.0
276.09607	4.1
403.17514	5.1
404.17889	11.3
405.18402	20.5
449.14041	2.8
520.70996	2.5
579.25549	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	579.208
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
57.03441	0.8
59.01377	20.9
61.67501	0.6
61.98819	1.1
67.01875	1.0
69.28552	3.5
69.28960	0.9
71.01006	1.0
71.01379	14.0
71.01769	0.7
72.99300	0.7
73.02928	2.1
75.00870	0.7
81.03457	0.6
83.01386	1.8
83.05031	0.7
84.02149	0.5
85.02947	6.4
87.00867	2.0
89.02437	11.7
93.03436	2.5
95.01389	1.3
96.96003	12.4
97.02911	0.8
97.06581	0.8
98.20612	1.1
99.00874	1.3
101.02428	7.1
102.79324	0.5
106.64593	0.5
108.02149	0.8
109.02956	1.9
111.04466	0.7
113.02436	5.9
115.00389	1.2
119.03498	4.6
123.00862	1.6
123.04492	1.2
124.01641	0.6
125.02438	1.4
131.03513	0.6
133.01436	1.0
135.04527	1.2
137.02431	7.7
137.09714	1.1
139.00348	0.6
143.03474	1.3
149.02458	0.9
150.03227	0.8
151.00357	14.9
151.03973	1.4
152.01170	1.1
152.04762	2.1
153.05533	0.5
161.02359	0.7
161.04543	2.9
163.03979	1.3
165.01979	1.1
166.02699	52.3
167.03406	2.6
171.10216	1.5
173.04524	3.8
173.05821	0.7
174.03267	0.6
175.04010	0.7
176.01151	0.6
176.04774	0.9
177.01889	2.8
179.03441	0.8
179.05577	4.9
181.05049	64.3
182.05373	1.9
184.03746	1.3
187.03923	0.7
188.04764	0.7
189.05560	1.0
190.06430	0.6
191.05592	7.4
192.04285	1.3
192.05812	0.6
193.05099	0.9
196.05180	0.6
203.07124	0.6
205.05031	0.9
205.08705	1.0
207.02946	1.0
207.06621	0.6
209.04546	0.8
233.04483	0.7
253.09225	2.7
253.40923	0.6
273.52039	0.6
299.13181	0.6
309.11337	1.2
325.14386	2.1
327.85318	0.7
339.12201	3.2
343.15427	1.2
343.21198	6.7
357.09680	0.7
359.11182	1.7
361.16562	1.6
387.10562	13.4
387.14685	2.0
388.11157	0.6
402.13031	6.3
405.15668	0.9
417.15515	100.0
418.15891	7.2
423.10645	0.8
449.27365	0.9
474.18509	0.6
489.17114	0.7
501.17490	1.9
519.31702	15.8
537.32306	2.9
543.14728	0.7
546.51904	0.6
579.20618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52118	4.2
67.01883	16.8
69.03448	5.0
69.55718	31.7
71.01385	7.1
72.29520	4.9
78.95900	16.8
85.75378	4.2
87.00858	5.2
93.03450	65.3
94.03815	8.2
96.95966	7.7
111.04511	12.5
133.02917	9.8
134.03743	15.0
134.63339	5.1
135.04568	10.4
137.02411	5.9
173.04532	100.0
174.04874	23.8
175.04997	5.3
176.33041	5.1
178.02684	10.2
183.57353	5.5
191.05600	17.8
222.08928	5.0
252.15472	4.9
253.09319	6.5
253.47858	4.0
259.43658	4.8
275.09070	11.7
289.18130	10.7
307.19211	10.7
332.44769	4.6
351.71454	4.4
405.18118	8.4
449.14267	15.2
483.76660	4.7
579.24548	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.2
61.30416	12.8
61.98824	14.1
69.28419	26.2
69.28822	86.6
93.03461	57.5
96.95980	12.1
97.51262	12.3
98.20639	26.5
111.04505	16.8
133.02968	37.0
134.03766	85.5
135.04103	30.2
137.02438	14.5
166.39417	13.1
173.04549	100.0
177.01961	36.6
178.02766	94.9
191.05605	23.2
192.04279	23.8
203.21547	12.7
227.74788	12.2
253.09332	22.7
275.09299	76.6
289.18063	22.8
307.19205	31.6
404.17700	19.7
405.18204	37.5
517.56329	17.0
579.25909	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
59.01377	9.2
61.98826	0.8
63.94757	0.4
66.75404	0.3
69.03066	0.8
69.03452	13.4
70.64372	1.1
71.01376	6.4
72.99326	1.1
73.02950	3.3
75.00901	0.4
79.01887	9.6
80.83838	0.4
81.03466	0.8
83.01408	1.3
85.02953	3.7
87.00896	1.4
89.02425	2.3
93.03465	2.2
94.47532	0.4
95.01399	3.2
96.96018	1.5
97.02943	8.3
99.00868	5.2
99.71902	0.4
101.02417	2.1
101.14764	0.4
107.01385	18.1
108.02169	40.0
109.02958	8.9
111.04524	0.7
112.19560	0.3
113.02446	6.1
119.05058	1.1
121.02927	2.4
123.00866	4.3
125.02441	13.5
131.03474	0.8
133.02931	0.5
134.03754	1.4
135.00877	34.0
135.04546	3.0
136.01324	0.5
137.02423	2.8
143.03493	0.6
145.02972	1.3
151.00354	9.6
151.03926	0.5
152.01141	100.0
153.01947	4.2
155.03537	0.6
161.02415	0.8
161.04590	1.1
163.04004	3.2
165.01909	0.4
173.04533	3.1
173.05905	0.5
175.02560	0.4
177.01895	1.5
178.02664	1.7
179.03481	3.0
180.37065	0.4
186.06668	0.4
187.07631	0.8
191.03806	0.6
191.05597	5.1
197.06070	1.4
205.04959	0.4
207.02896	0.6
213.05652	0.4
213.53448	0.4
215.06970	0.5
231.10141	0.6
242.05811	9.8
243.06587	54.2
244.06937	2.4
275.09439	0.9
285.07706	0.7
315.07181	1.1
317.17529	0.5
339.07175	0.7
342.23666	0.9
357.08298	4.4
387.10657	1.0
405.11642	2.2
405.16223	0.6
411.09152	2.2
429.10339	15.3
430.10468	1.0
447.12921	14.0
448.13406	1.0
471.11395	65.9
472.11810	3.2
519.15106	3.8
537.16089	16.5
538.16473	1.2
543.30420	1.1
579.16974	20.6
579.32330	0.9
580.17566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31392	1.1
55.01879	2.4
57.03440	3.9
59.01377	90.8
59.77884	1.1
61.86787	1.0
61.98827	67.2
63.02393	1.8
65.00327	1.9
67.01868	1.9
67.20939	1.2
69.03454	2.0
71.01378	44.0
71.05016	1.4
71.56337	1.1
72.99297	5.3
73.02943	11.7
75.00866	1.7
81.03440	6.5
83.01370	9.3
83.05019	3.3
85.02950	21.7
87.00877	6.5
88.98775	1.8
89.02441	21.7
93.03457	14.2
95.01396	4.7
95.05015	1.9
96.96008	27.4
97.02933	6.3
97.06569	1.8
98.95599	1.9
99.00883	4.8
99.04501	3.1
101.02440	24.8
101.96680	1.2
105.01952	1.4
107.01389	2.4
109.02969	1.9
111.00852	2.3
111.04515	4.1
112.01630	1.1
113.02441	26.9
114.02770	1.4
119.03508	9.0
119.05016	2.0
119.08691	3.0
121.02938	4.6
123.00863	1.6
123.04502	3.5
124.01652	3.2
125.02438	14.6
125.32712	1.2
127.11311	1.2
129.01932	1.6
130.52185	1.2
131.03506	1.1
133.02922	1.5
134.03697	1.1
135.04506	4.0
137.02397	5.7
137.09712	4.8
139.03998	2.5
143.03470	5.6
145.02911	2.1
149.02409	3.5
149.06146	1.7
151.00374	6.1
153.09192	2.2
155.03497	5.2
159.03165	1.4
159.04485	3.3
161.02444	3.0
161.04561	6.8
161.05887	1.7
163.00337	3.1
163.03978	2.4
165.01909	5.3
165.09245	1.7
166.02585	1.5
167.03470	16.6
171.10298	1.5
171.13892	2.9
172.05272	2.0
173.04552	30.1
173.06007	2.2
174.03273	1.6
174.04845	2.4
175.03929	2.4
176.01112	1.3
179.03493	3.8
179.05533	2.1
181.05051	2.0
187.03961	1.9
187.07544	2.5
188.04713	1.5
189.05576	2.7
191.03690	1.7
191.05594	21.0
192.05983	1.4
193.01369	7.4
196.05263	1.6
197.04572	2.4
199.07713	1.8
201.09187	3.3
201.14912	6.7
203.07053	1.4
205.01543	1.4
205.08585	1.8
207.03017	1.8
209.04500	1.9
211.04099	1.6
211.07608	2.4
213.09195	1.3
214.06383	1.4
217.08694	1.7
223.02463	4.1
225.09167	2.9
227.03583	1.7
227.07047	3.2
229.08739	6.8
231.10208	1.1
233.04568	2.1
240.04234	1.7
245.08150	3.4
246.09102	1.5
253.08775	7.0
255.06583	13.6
259.11188	1.4
268.03775	2.9
269.04532	70.6
279.06546	2.9
287.22479	1.5
295.09729	2.2
297.04160	1.6
298.04782	12.5
309.04062	1.6
311.05402	2.9
319.09637	1.7
321.07471	3.4
322.04883	1.6
323.05768	1.9
325.14539	2.8
337.07156	2.3
343.15466	2.5
343.21356	2.8
345.19278	4.2
349.02020	1.5
349.07108	1.4
351.05060	3.1
351.08865	1.8
357.26337	5.1
363.08755	2.3
363.20227	5.5
375.27515	7.0
379.08267	6.1
381.09961	2.3
383.10245	2.4
384.10641	1.6
387.14468	5.0
393.09985	3.0
405.09702	4.1
405.15494	4.2
409.09183	2.2
417.24838	2.9
423.10806	50.0
424.11215	3.1
447.26178	1.4
453.11914	19.3
459.29660	2.4
465.11783	2.4
473.10950	2.0
475.29041	3.1
501.30524	3.2
519.31702	88.5
520.32074	3.4
535.25000	2.1
537.32880	24.5
543.15033	100.0
544.15302	8.8
561.13196	1.7
579.20612	4.5
579.30682	20.1
580.30341	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	579.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31392	1.1
55.01879	2.4
57.03440	3.9
59.01377	90.8
59.77884	1.1
61.86787	1.0
61.98827	67.2
63.02393	1.8
65.00327	1.9
67.01868	1.9
67.20939	1.2
69.03454	2.0
71.01378	44.0
71.05016	1.4
71.56337	1.1
72.99297	5.3
73.02943	11.7
75.00866	1.7
81.03440	6.5
83.01370	9.3
83.05019	3.3
85.02950	21.7
87.00877	6.5
88.98775	1.8
89.02441	21.7
93.03457	14.2
95.01396	4.7
95.05015	1.9
96.96008	27.4
97.02933	6.3
97.06569	1.8
98.95599	1.9
99.00883	4.8
99.04501	3.1
101.02440	24.8
101.96680	1.2
105.01952	1.4
107.01389	2.4
109.02969	1.9
111.00852	2.3
111.04515	4.1
112.01630	1.1
113.02441	26.9
114.02770	1.4
119.03508	9.0
119.05016	2.0
119.08691	3.0
121.02938	4.6
123.00863	1.6
123.04502	3.5
124.01652	3.2
125.02438	14.6
125.32712	1.2
127.11311	1.2
129.01932	1.6
130.52185	1.2
131.03506	1.1
133.02922	1.5
134.03697	1.1
135.04506	4.0
137.02397	5.7
137.09712	4.8
139.03998	2.5
143.03470	5.6
145.02911	2.1
149.02409	3.5
149.06146	1.7
151.00374	6.1
153.09192	2.2
155.03497	5.2
159.03165	1.4
159.04485	3.3
161.02444	3.0
161.04561	6.8
161.05887	1.7
163.00337	3.1
163.03978	2.4
165.01909	5.3
165.09245	1.7
166.02585	1.5
167.03470	16.6
171.10298	1.5
171.13892	2.9
172.05272	2.0
173.04552	30.1
173.06007	2.2
174.03273	1.6
174.04845	2.4
175.03929	2.4
176.01112	1.3
179.03493	3.8
179.05533	2.1
181.05051	2.0
187.03961	1.9
187.07544	2.5
188.04713	1.5
189.05576	2.7
191.03690	1.7
191.05594	21.0
192.05983	1.4
193.01369	7.4
196.05263	1.6
197.04572	2.4
199.07713	1.8
201.09187	3.3
201.14912	6.7
203.07053	1.4
205.01543	1.4
205.08585	1.8
207.03017	1.8
209.04500	1.9
211.04099	1.6
211.07608	2.4
213.09195	1.3
214.06383	1.4
217.08694	1.7
223.02463	4.1
225.09167	2.9
227.03583	1.7
227.07047	3.2
229.08739	6.8
231.10208	1.1
233.04568	2.1
240.04234	1.7
245.08150	3.4
246.09102	1.5
253.08775	7.0
255.06583	13.6
259.11188	1.4
268.03775	2.9
269.04532	70.6
279.06546	2.9
287.22479	1.5
295.09729	2.2
297.04160	1.6
298.04782	12.5
309.04062	1.6
311.05402	2.9
319.09637	1.7
321.07471	3.4
322.04883	1.6
323.05768	1.9
325.14539	2.8
337.07156	2.3
343.15466	2.5
343.21356	2.8
345.19278	4.2
349.02020	1.5
349.07108	1.4
351.05060	3.1
351.08865	1.8
357.26337	5.1
363.08755	2.3
363.20227	5.5
375.27515	7.0
379.08267	6.1
381.09961	2.3
383.10245	2.4
384.10641	1.6
387.14468	5.0
393.09985	3.0
405.09702	4.1
405.15494	4.2
409.09183	2.2
417.24838	2.9
423.10806	50.0
424.11215	3.1
447.26178	1.4
453.11914	19.3
459.29660	2.4
465.11783	2.4
473.10950	2.0
475.29041	3.1
501.30524	3.2
519.31702	88.5
520.32074	3.4
535.25000	2.1
537.32880	24.5
543.15033	100.0
544.15302	8.8
561.13196	1.7
579.20612	4.5
579.30682	20.1
580.30341	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	578.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13123	0.2
59.01376	0.3
59.38010	0.2
61.98826	100.0
67.73856	0.2
68.60239	0.2
70.51435	0.2
70.88876	0.5
72.40285	0.2
73.60224	0.2
75.89252	0.2
78.95918	0.6
79.95751	0.3
80.27760	0.2
80.96507	0.4
81.30158	0.2
82.81217	0.2
96.96004	16.0
97.88455	0.2
127.00327	0.2
144.87308	0.2
150.37767	0.2
152.99644	0.3
164.17700	0.3
194.90018	0.2
194.93924	0.2
245.04309	0.3
253.21832	0.3
279.23364	0.7
280.23593	1.3
281.23999	0.7
282.24451	0.4
331.54086	0.2
343.01141	0.4
481.25970	0.7
579.19098	0.4
579.28516	0.4
600.48468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15903	0.2
52.39474	0.3
58.78424	0.3
59.01377	0.4
60.60869	0.2
61.98827	100.0
70.66664	0.8
71.40657	0.3
78.95906	1.5
79.95742	0.7
80.96516	0.9
96.96009	17.8
117.99413	0.3
141.30278	0.3
143.93265	0.3
152.99574	0.4
185.43529	0.3
194.90019	0.3
194.93761	0.3
234.50429	0.2
279.23322	0.8
280.23795	0.9
281.23813	0.7
282.98877	0.3
343.01190	0.6
393.09872	0.3
481.25507	0.7
577.40662	0.3
578.27289	0.4
579.19165	0.3
579.28528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37776	1.0
53.34449	1.0
53.68085	1.2
59.01377	100.0
71.56734	1.4
74.74698	1.1
80.96502	2.5
97.21021	1.0
183.14017	1.4
197.86482	1.1
273.62473	1.1
389.84821	1.3
432.69818	1.3
577.27026	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	578.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.55109	0.2
71.55484	0.2
88.81245	0.2
96.96044	0.4
124.87077	0.2
155.03569	0.2
158.23189	0.2
163.00330	0.2
163.04030	0.4
191.05692	0.5
191.29498	0.2
191.73549	0.2
200.99155	0.2
353.08868	0.6
354.08942	0.2
355.09372	0.3
356.09665	0.3
383.56900	0.2
578.13934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65649	1.1
57.03423	1.4
59.01376	43.2
61.60751	1.1
61.98816	4.1
67.01886	2.2
69.03462	1.4
71.01382	20.2
72.99306	2.0
73.02940	10.3
75.00908	1.9
78.95910	1.2
79.86737	1.0
79.95735	1.7
81.03445	1.3
83.01382	3.4
83.05013	2.1
85.02937	16.4
87.00871	24.6
88.42566	1.0
89.02438	7.4
90.23956	1.1
93.03456	12.0
95.01402	2.5
96.96008	51.6
97.29585	1.2
99.00880	3.9
101.02438	11.3
111.04513	3.9
112.55222	1.0
113.02449	15.7
114.02868	1.7
119.03484	1.4
119.05041	1.9
125.02498	1.8
125.09686	2.7
125.55366	1.1
127.11289	2.6
133.02959	1.4
137.02423	1.5
137.09746	2.4
139.11292	1.1
141.15297	1.1
143.03522	1.3
151.00342	1.5
151.07623	1.1
155.03519	2.0
155.10715	1.7
159.04454	2.2
161.04620	1.2
164.01021	1.2
171.04422	1.5
171.10268	7.6
172.05235	2.1
173.04555	27.3
173.06047	2.8
174.06779	1.2
175.02446	2.5
182.03735	2.1
183.10277	1.1
186.06845	5.1
187.07616	3.7
191.05588	30.8
192.05965	1.2
198.68399	1.2
200.04791	3.2
201.05663	2.1
201.09386	1.5
201.11302	21.1
209.11809	1.6
211.07588	4.0
211.13377	1.4
211.53941	1.1
214.06300	9.1
215.07048	3.4
219.17453	1.4
229.08598	7.2
229.55797	1.3
230.09404	1.5
253.09200	1.7
255.02899	2.3
255.14047	1.2
256.03366	2.9
257.03625	1.4
263.16501	6.5
269.04593	1.4
275.20139	1.4
279.19489	1.7
283.13416	1.6
284.03052	1.2
285.03781	2.3
286.04739	2.2
293.21237	3.7
309.14883	2.2
311.12787	4.7
311.22299	8.5
327.16010	4.8
329.23288	10.1
353.13989	1.6
359.18716	2.1
371.14944	13.6
381.09653	2.7
382.10089	2.8
383.10553	6.7
399.11038	1.5
400.10779	1.3
401.11380	4.3
403.17679	12.0
473.27585	9.6
483.22342	1.4
491.28693	16.7
517.30176	2.0
533.29626	100.0
534.29895	7.5
535.31036	1.8
545.19989	5.9
559.13965	2.7
577.14276	1.4
577.30066	17.6
578.32074	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	577.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	0.4
67.01889	1.1
69.03454	1.5
70.59731	1.0
71.01364	1.0
81.03466	0.6
83.05029	2.9
85.02957	1.0
87.00877	1.4
93.03459	10.2
105.03445	1.6
106.04239	1.1
108.02157	0.5
109.02949	1.4
111.04503	5.6
121.02940	0.7
127.04000	0.7
129.01926	0.9
132.02203	0.6
133.02956	16.9
134.03735	78.2
135.04579	7.0
137.02423	4.1
139.04019	1.3
141.03551	0.4
148.05316	0.5
149.02406	0.7
155.03494	5.8
160.01602	0.6
161.02415	1.5
162.03159	0.9
164.04784	0.7
172.05258	0.5
173.04536	22.0
174.03201	1.2
177.01903	11.1
178.02693	15.1
179.03323	0.8
191.05658	2.1
192.04268	66.0
193.04773	2.8
193.12299	3.9
202.06430	0.4
211.13387	4.9
225.14853	2.7
299.16553	1.1
327.15985	5.8
329.13831	1.0
359.18555	0.5
371.14868	6.4
372.15155	0.5
385.16470	1.3
389.16040	1.5
403.17569	100.0
404.17889	7.4
408.29980	0.5
409.26318	0.4
577.22791	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	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92595	0.7
57.03468	0.9
59.01373	2.5
60.99307	2.1
61.98822	1.6
65.03960	0.7
67.01887	8.1
68.50914	0.6
69.03456	2.6
71.01407	3.5
81.03460	2.0
83.05037	2.1
85.02954	1.9
87.00887	6.9
93.03455	58.0
94.03786	0.8
99.00827	0.9
105.03458	2.1
106.04227	0.6
108.02175	0.8
109.02947	1.2
111.00876	1.3
111.04514	10.2
113.02495	0.6
113.07265	0.5
121.02961	2.9
124.01677	1.7
125.02435	1.3
127.03964	1.0
129.01900	1.1
133.02954	17.8
134.03737	39.0
135.04526	28.9
136.05008	0.7
137.02446	12.9
138.02835	0.6
139.04002	2.5
149.02393	0.6
150.03217	2.6
151.03990	3.0
155.03488	6.6
161.02438	1.4
162.03212	0.8
173.04539	100.0
174.03317	0.8
174.04848	2.2
177.01915	10.6
178.02705	24.9
179.03482	4.7
180.04166	0.8
181.05023	0.6
191.05603	8.4
192.04263	9.0
192.05951	0.9
193.12274	0.7
205.45039	0.6
225.14911	1.4
290.07974	0.7
299.16290	0.6
307.08188	1.5
308.08987	10.0
327.15933	3.0
351.07123	2.7
352.07974	15.7
359.18524	3.8
366.09985	0.7
371.14886	1.1
385.16565	3.7
403.17578	21.7
404.17542	0.7
577.22839	20.8
578.23285	1.9
585.19666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92667	0.5
55.59367	0.5
57.03432	0.6
59.01361	0.6
60.99314	0.5
61.98835	0.5
67.01888	3.1
69.03450	1.5
71.01385	1.7
71.55695	0.9
73.02946	0.9
76.06792	0.5
81.03451	1.4
83.05009	2.9
85.02946	1.0
87.00882	2.9
93.03455	23.1
96.96003	1.1
105.03459	1.3
106.04220	0.7
109.02959	1.0
111.04510	7.0
121.02934	0.6
127.04019	0.6
129.01964	0.7
131.58466	0.5
133.02951	9.8
134.03740	84.7
135.04562	7.8
137.02422	3.7
139.03996	0.7
145.02972	1.1
155.03493	6.1
160.01645	0.8
161.02480	3.7
162.03198	5.1
165.12750	0.5
171.89247	0.4
173.04543	36.0
174.03200	1.6
174.04797	0.5
177.01921	8.7
178.02693	9.9
179.03450	0.9
191.05591	4.3
192.04277	23.2
193.04860	1.3
193.12334	4.4
211.13452	1.6
225.14966	3.0
299.16513	2.1
308.09009	1.0
327.15924	3.4
329.13602	0.5
351.07431	0.6
371.14987	1.3
385.16473	0.9
389.16113	0.8
403.17584	100.0
404.17926	7.5
577.22845	10.6
577.29504	0.4
578.22906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01369	2.2
60.99304	2.3
64.20611	0.5
65.03954	1.1
67.01882	7.7
68.60722	0.4
69.03464	2.6
69.40471	1.7
69.40897	1.9
71.01382	4.0
78.95909	0.8
79.88492	0.5
81.03448	1.5
83.05022	2.1
85.02937	2.7
87.00864	7.5
91.74622	0.5
93.03451	55.3
94.03799	0.9
95.05029	0.5
96.96018	2.4
98.20634	0.7
99.00893	0.5
99.04521	0.8
105.03455	1.3
106.04234	0.6
108.02195	0.7
109.02937	2.2
111.00820	0.8
111.04510	8.6
113.02447	0.9
121.02946	2.0
124.01648	1.5
125.02424	1.7
127.04028	1.1
129.01949	1.0
132.02165	0.8
133.02948	14.9
134.03738	30.7
135.04521	23.6
136.04869	0.5
137.02432	9.8
139.03989	2.6
150.03192	2.0
151.04004	3.1
151.63901	0.5
155.03514	6.0
160.01654	1.9
161.02475	1.1
173.04530	100.0
174.04907	2.3
177.01920	7.0
178.02693	19.9
178.04269	1.0
179.03491	3.9
180.04276	0.7
191.05588	16.4
192.04263	11.6
193.04651	0.6
193.12317	0.9
200.03624	0.5
253.09444	0.6
299.16568	0.7
307.08209	1.9
308.08972	7.8
314.93222	0.5
327.15985	1.8
351.07220	1.3
352.07928	11.8
359.18701	2.8
365.72324	0.5
371.14853	0.9
385.16431	3.7
403.17560	18.4
404.17960	1.0
577.22821	20.3
578.23218	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50681	0.4
51.78358	0.3
59.01379	13.1
61.98813	0.4
63.76078	0.4
69.96741	0.9
69.97141	0.6
70.60314	0.4
71.01377	3.1
73.02943	0.9
78.95884	0.5
83.01395	0.4
85.02939	0.7
87.00882	0.4
89.02451	3.8
98.17905	0.3
99.00899	0.5
101.02447	3.4
108.02167	0.7
109.02941	0.4
113.02463	1.5
119.03444	0.6
143.03488	0.4
152.01135	0.9
161.04565	0.7
179.05611	0.4
235.08237	1.6
253.07034	0.4
253.09271	15.7
279.23279	100.0
280.23663	4.5
491.25769	0.4
575.28418	0.8
576.27612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03443	1.6
57.93535	0.9
58.48925	0.9
59.01373	2.5
67.01882	1.1
69.03460	9.6
70.69382	1.5
70.69772	1.6
71.01376	2.1
71.05021	2.3
88.85838	0.8
90.18579	0.8
97.02977	1.0
97.06571	1.7
98.20037	0.9
106.54890	0.8
119.49072	0.8
123.08163	2.4
125.09730	3.8
137.09666	0.8
146.07976	0.8
149.09705	2.2
151.11317	6.4
153.12843	1.7
161.09746	11.2
179.10779	37.1
180.11140	1.2
197.11838	92.7
198.12181	3.3
223.09776	5.2
241.10811	12.2
277.21729	68.2
278.22073	3.3
297.13397	9.7
315.14453	21.7
316.14993	0.9
385.50922	0.9
462.15393	0.8
483.74103	0.9
575.35883	100.0
576.36230	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	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97947	0.3
59.01386	0.3
61.98830	100.0
66.56058	0.2
70.30634	1.2
71.01374	1.4
73.02951	0.3
78.98600	0.8
79.95734	1.4
80.96519	10.6
85.02958	0.5
87.00850	0.3
94.98086	2.1
101.02444	0.6
106.98091	0.3
109.75936	0.3
122.97572	0.8
125.02472	0.5
134.97604	0.7
148.99135	0.8
152.98628	0.6
160.46600	0.3
164.98666	1.9
206.99661	0.5
215.10098	0.3
223.93968	0.3
225.00763	1.9
277.21692	0.6
278.22144	0.9
279.22501	0.4
299.04285	0.6
577.26843	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84196	0.2
56.64170	0.2
58.46652	0.2
59.01381	18.6
69.71175	1.4
71.01367	0.6
73.47884	0.2
78.95903	7.3
78.98603	0.5
79.95718	1.1
80.96519	7.4
83.05009	0.3
85.02983	0.3
87.00880	0.4
94.98086	1.7
101.02434	0.4
106.98046	0.5
122.97606	0.7
125.02485	0.3
133.46643	0.2
134.97545	0.5
139.87250	0.2
148.99126	0.7
152.98573	0.6
152.99585	1.6
164.98630	1.1
166.00943	0.3
168.04309	1.3
182.99702	0.3
197.12202	0.2
206.99738	0.3
224.06871	0.8
225.00734	1.8
242.07977	3.3
259.20676	0.5
275.20087	0.4
277.21710	100.0
278.22055	4.4
422.72421	0.3
502.29395	39.8
503.29703	3.2
517.25623	0.3
576.25311	0.3
577.26862	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	575.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14056	0.8
53.40369	0.7
57.03442	2.0
59.01371	6.6
61.98815	1.3
63.47537	0.6
64.33514	0.7
67.01879	2.1
69.03448	1.0
69.93559	1.3
69.93967	2.9
71.01379	7.0
73.02933	1.9
79.95715	1.1
80.96519	2.1
81.03447	1.8
83.05013	3.3
85.02946	6.6
87.00883	3.4
89.02429	1.3
92.31181	0.7
93.03454	19.8
95.01388	1.0
96.96011	9.1
98.95609	1.2
101.02440	2.6
109.02919	1.0
111.04520	11.1
111.08146	1.3
113.02426	2.2
114.05600	3.2
116.92888	1.3
119.04991	0.8
121.02917	0.7
125.02481	1.2
127.04029	2.1
129.01944	1.0
131.52966	0.7
135.04524	3.2
137.02444	4.3
151.00333	1.9
155.03484	13.9
161.02477	0.8
165.12836	36.4
166.13103	1.1
173.04532	35.8
174.04855	1.5
177.01894	1.2
179.03491	2.3
181.12289	0.9
183.13889	98.7
184.14252	4.0
191.05600	53.6
192.05942	1.8
193.01588	0.7
209.11801	3.6
225.00824	1.0
227.12868	54.4
228.13219	2.8
245.65776	0.7
253.09026	1.0
265.05051	0.8
283.02554	1.1
311.02069	0.9
315.37277	0.8
325.14420	2.0
369.13293	1.2
381.09509	1.2
383.12463	0.8
383.16904	3.8
399.10184	1.2
401.18225	43.1
402.18445	2.1
455.13730	1.1
461.20911	0.9
471.15555	3.6
539.34521	2.5
557.22772	1.6
575.23468	100.0
575.31421	5.3
576.23444	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	575.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01378	5.9
61.98828	1.9
64.94965	0.5
66.72360	0.4
67.01888	5.4
68.99571	1.2
69.03442	1.6
71.01381	7.1
71.05065	0.5
72.99298	0.9
73.02949	1.5
78.91863	1.1
79.95745	0.6
81.03455	1.9
83.01376	0.5
83.05025	3.0
85.02940	5.4
85.26792	0.4
87.00877	2.3
89.02446	0.8
91.32967	0.5
93.03455	39.5
95.01394	0.6
96.96010	10.0
98.20736	1.1
99.00900	0.9
101.02438	1.3
109.02956	1.8
110.55278	0.5
111.00858	1.5
111.04513	10.0
111.08165	1.2
112.98613	1.2
113.02450	2.8
125.02429	1.1
127.03996	1.5
129.01915	0.5
134.03885	0.4
135.03087	0.5
135.04478	1.3
137.02440	8.2
151.00316	1.0
155.03497	10.0
163.03902	0.7
165.12840	15.7
173.04543	100.0
174.04887	2.2
179.03430	0.7
179.08363	0.5
183.13893	45.9
184.14105	1.2
191.05614	25.6
209.11809	1.6
211.13382	0.5
227.12877	26.2
228.13116	0.9
248.18985	0.5
311.05533	0.5
359.50235	0.5
381.09641	1.2
383.16992	4.0
399.10706	1.6
401.18143	33.3
402.18500	1.7
423.10812	1.6
455.13474	2.5
485.14441	0.9
557.22772	0.9
575.23456	74.0
576.23633	5.4
576.30432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.211
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
50.40610	0.5
50.86607	0.5
55.01883	0.6
57.03456	0.9
59.01381	9.7
61.98820	4.8
69.30081	5.2
71.01390	5.3
73.02956	1.5
73.92486	0.5
78.95903	33.5
80.02675	0.6
81.03440	1.8
83.01395	1.1
83.05036	6.9
84.02170	1.5
85.02954	2.3
85.06607	0.6
87.00874	1.2
87.57499	0.6
89.02451	2.5
93.03455	2.0
95.05020	0.7
95.79626	0.6
96.96030	3.9
96.96960	6.1
97.06586	0.7
99.00864	1.0
101.02425	3.2
103.00403	0.6
111.00884	1.0
113.02450	2.6
119.03465	1.1
121.02949	31.4
122.03273	0.7
125.02380	0.6
125.06090	0.8
127.05143	0.5
131.03360	0.5
134.03735	0.6
135.04494	0.7
135.08153	0.9
141.01918	0.6
151.00346	2.0
152.99577	39.1
159.02931	0.6
163.11281	4.3
165.00188	0.6
165.12805	3.2
171.00624	1.4
173.04535	3.0
176.10800	0.5
179.03484	0.7
179.05676	0.9
181.12372	1.0
191.05605	6.5
191.10724	0.9
209.11812	79.2
210.12144	1.7
223.00101	5.2
227.12868	7.2
228.13144	0.6
241.01167	16.3
259.02188	1.1
315.04883	4.6
317.01254	1.8
318.01642	1.0
319.01199	1.3
327.05081	2.5
333.05646	0.8
344.24405	1.1
381.09732	0.7
409.13599	2.7
416.22913	0.8
493.04678	0.9
495.04208	1.5
531.17065	3.1
543.18243	3.6
575.21027	100.0
576.21381	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	575.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71033	9.9
71.01368	1.8
82.11327	1.8
98.20784	1.8
99.00874	3.6
112.16530	1.8
134.03714	2.2
147.04501	5.4
148.05347	4.6
158.43474	2.2
159.04524	2.2
160.05293	5.5
161.06070	2.1
162.03229	4.1
163.04057	1.9
165.93948	1.8
172.05348	3.1
173.06065	6.6
175.03998	3.3
175.07645	2.5
176.04733	3.5
177.05612	13.2
188.04773	12.0
189.05489	2.3
190.02747	1.9
202.06340	7.3
203.07071	4.1
204.04195	4.5
205.04997	5.0
205.08740	2.2
207.06679	2.7
216.04306	11.2
217.08681	13.7
219.06638	19.1
221.08189	6.7
231.06564	20.2
233.04578	5.6
235.06119	7.4
244.87447	1.7
249.07666	13.5
251.05602	8.8
265.07114	4.0
291.08755	4.2
293.06665	21.3
309.09933	3.1
353.08743	100.0
354.08954	5.2
354.33035	1.8
393.12036	2.5
429.08011	1.9
515.14490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23316	0.8
55.01883	1.2
55.13593	0.7
57.03446	2.4
58.00618	1.0
59.01377	27.9
61.98833	1.5
67.01888	1.5
68.99836	1.1
69.56020	2.4
69.56428	3.2
71.01386	16.9
71.05990	0.7
72.99300	2.4
73.02956	6.3
75.00874	4.9
81.03472	0.9
83.01395	2.2
84.50874	1.0
85.02953	20.9
87.00888	4.1
89.02434	8.1
93.03465	10.2
95.01395	5.6
96.36467	1.0
96.96025	4.7
99.00890	9.4
101.02455	4.4
103.00368	3.8
105.03416	1.9
107.01389	1.1
108.02180	6.0
109.02973	1.2
111.04507	2.5
113.02456	35.9
113.03262	1.8
115.00375	1.0
117.01907	1.6
119.03506	1.0
119.05094	1.1
121.02941	1.5
121.59041	0.8
123.04530	4.4
125.02399	0.8
128.25911	0.9
129.01918	1.4
133.02982	3.3
134.03752	1.6
135.04530	2.5
137.02466	1.9
143.07224	1.8
147.11784	0.8
149.02454	5.5
151.00417	1.0
151.03996	1.3
152.01167	18.0
155.03525	1.7
156.88545	0.9
157.01430	1.0
161.02458	2.4
161.04446	1.1
163.00368	2.1
163.04170	0.9
167.03503	29.5
167.04922	1.6
171.10326	1.2
173.04543	24.4
175.02513	11.5
175.03992	1.5
178.99875	1.3
179.03468	2.3
190.02806	1.1
191.05620	13.8
191.37358	0.9
195.68765	0.9
201.02028	1.1
211.13474	1.9
219.13609	0.9
221.15591	1.4
225.05450	1.2
227.03479	1.3
229.05014	0.8
241.05067	1.4
251.03635	0.9
253.05139	1.6
253.09131	1.6
255.02977	21.8
256.03415	2.0
263.12735	1.5
268.03833	1.2
269.04547	62.7
270.04922	2.1
279.03015	1.9
281.04575	1.0
283.02518	9.0
284.03302	5.3
285.04117	7.1
296.03229	2.0
297.04031	43.1
298.04797	23.5
299.05450	1.4
307.02515	1.1
309.03995	3.7
309.20724	1.3
311.05441	1.1
313.03519	12.2
321.17200	2.0
323.05511	1.3
325.03531	10.1
326.04263	9.1
327.05130	4.7
337.07251	1.4
355.04807	0.9
356.05423	1.6
381.09799	28.8
382.10178	2.0
395.11346	13.8
396.11523	1.2
398.12286	1.1
399.10867	28.5
400.11664	1.2
401.16953	1.3
401.21750	8.4
405.09302	1.2
407.17596	1.4
423.10849	71.1
424.11215	4.4
435.10492	1.1
445.07761	10.7
446.08530	20.8
447.08847	1.1
453.11993	2.3
455.13382	14.7
489.26843	2.0
515.28583	1.2
531.28198	17.4
543.15057	100.0
544.15540	7.7
557.12921	2.9
575.17328	7.7
575.27338	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	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65833	0.6
57.03438	1.7
59.01383	5.8
63.02394	1.4
65.00323	4.1
69.67177	0.5
69.93465	1.7
71.01388	5.7
72.99292	0.6
73.02970	0.6
74.09385	0.4
75.00890	2.6
80.36868	0.5
83.01381	3.3
83.02599	0.5
85.02955	9.9
87.00865	1.7
89.02454	0.9
93.03471	0.7
95.01393	2.7
96.95988	1.3
99.00881	4.0
103.00391	1.1
107.01394	6.7
111.39480	0.5
113.02454	12.2
114.75729	0.5
115.00372	0.6
117.01962	1.3
123.04499	1.1
124.01603	0.7
125.02456	6.4
128.64232	0.5
129.01947	0.8
137.02509	0.6
145.30884	0.5
151.00372	21.4
167.03474	3.5
172.05266	1.6
173.04529	1.4
175.02478	5.8
185.06157	1.0
186.06886	2.6
191.05576	0.9
196.05269	0.6
200.04744	0.5
201.09210	5.7
211.07646	3.0
220.18668	0.5
223.49539	0.5
226.02687	0.6
229.08716	6.4
240.04219	0.8
253.08711	0.6
255.06618	5.4
266.05826	1.0
277.08704	0.7
279.06586	2.1
282.61313	0.6
284.03128	0.7
295.09744	0.9
308.03232	1.1
309.04053	7.9
319.09689	0.8
320.07230	0.6
335.09348	0.6
337.07208	4.4
353.10419	0.9
363.08676	7.8
364.09198	0.5
379.71402	0.6
381.09781	100.0
382.10056	6.8
399.10959	1.0
423.10614	1.3
441.80820	0.7
455.13553	1.9
539.11664	0.7
557.13007	57.7
558.13275	4.0
575.16010	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	573.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.6
59.01377	11.8
61.66119	0.4
61.98813	1.5
69.95499	1.1
69.95893	1.2
71.01373	5.7
72.99281	0.4
75.79432	0.4
78.13100	0.4
83.01356	0.8
85.02940	0.8
87.00840	0.7
89.02440	5.6
90.02750	0.5
95.01346	0.5
96.96001	7.3
101.02436	7.0
112.62720	0.5
113.02451	3.2
119.03488	1.6
152.99600	0.6
159.90034	0.5
161.04562	2.5
179.05638	0.7
235.08180	1.3
253.09261	25.8
254.09801	0.7
260.75272	0.5
277.21698	100.0
278.22031	4.3
468.49799	0.6
476.27869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54525	0.6
55.01872	1.2
57.03455	0.8
59.01387	1.1
61.98829	1.1
66.03484	1.5
68.99816	1.0
69.42953	3.9
70.02977	4.2
71.01397	4.5
73.02941	6.0
73.41940	0.5
75.00860	2.0
82.02962	0.7
83.01382	1.5
83.04985	0.8
85.02943	2.5
86.02480	0.6
87.00881	4.3
88.98807	1.1
93.03472	0.9
95.01392	1.0
96.04577	1.4
96.96008	1.6
97.75589	0.5
98.02478	24.3
98.20626	0.8
99.00875	3.1
100.04081	1.7
101.02438	4.5
104.84431	0.5
111.00878	16.1
113.02480	3.2
127.00362	1.3
128.03578	0.7
129.01949	4.3
130.05095	2.6
131.03482	2.5
141.01956	8.9
159.02988	16.2
173.04572	1.5
191.05621	5.6
198.95157	0.5
206.08182	1.0
227.16565	3.7
277.34473	0.6
350.22046	0.7
360.23904	100.0
361.24362	4.8
430.24564	1.1
556.25250	13.1
557.25635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01381	5.5
60.99312	0.9
61.98827	3.1
65.00327	0.8
66.82767	0.4
67.01893	4.6
67.72836	0.4
69.03460	1.2
71.01382	7.6
71.56146	0.8
72.32562	0.4
72.99314	0.9
73.02943	2.8
78.99045	0.5
79.95749	0.8
81.03467	1.5
82.78539	0.6
83.01402	1.0
83.05039	2.1
85.02946	3.1
87.00856	1.2
89.02431	0.7
91.19827	0.5
93.03457	33.1
94.03821	1.1
95.01416	0.8
96.96008	28.7
97.95956	0.6
98.95599	4.5
98.96391	0.8
99.00877	0.5
99.92592	0.8
101.02460	1.2
107.01339	0.6
109.02946	1.4
111.00868	0.6
111.03740	0.6
111.04516	8.5
113.02449	2.4
115.92048	1.8
116.92085	0.7
116.92863	5.7
121.02957	1.2
125.02441	3.6
127.04012	1.5
128.90164	0.6
129.01895	0.8
133.03000	0.6
135.04498	0.5
137.02437	6.9
151.00363	1.9
155.03482	9.5
163.11275	1.8
167.03575	0.7
173.04539	100.0
174.04869	3.6
175.05016	1.3
181.12337	19.6
191.05606	14.7
192.05887	0.5
192.67226	0.4
225.11307	20.9
226.11617	0.8
243.06631	0.9
246.43546	0.5
250.62209	0.5
271.06171	1.4
325.07178	0.8
329.58533	0.5
379.08255	4.4
381.15390	2.0
397.09201	3.6
397.13864	0.7
398.15302	0.8
399.16541	31.3
400.16916	1.9
555.11316	1.1
555.20117	0.7
573.13037	3.3
573.21704	69.0
574.22186	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	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78846	1.7
59.01377	100.0
61.98820	5.4
63.76464	1.5
69.49405	1.5
71.01380	18.4
71.56245	1.6
73.02947	5.1
74.71717	1.6
80.19057	1.8
83.01361	3.0
85.02949	5.5
87.04496	1.8
89.02450	5.0
96.96006	3.7
97.06460	1.7
101.02446	9.0
101.06096	3.1
113.02415	4.9
130.91663	1.7
161.04498	2.9
173.04585	2.3
191.05553	2.4
206.05855	1.7
209.11575	1.6
310.34036	1.8
323.25879	2.2
467.30127	19.3
485.31171	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	571.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01371	2.3
60.99302	0.4
61.33495	0.4
61.98823	0.9
65.03956	0.5
67.01891	5.1
69.03453	0.9
69.38605	2.5
71.01380	3.6
76.18930	0.4
79.95750	1.8
81.03461	0.8
83.05029	1.0
84.75812	0.4
85.02953	1.7
87.00878	0.8
88.98828	0.5
89.02462	0.4
91.71819	0.4
93.03455	29.5
94.03791	0.5
95.01408	0.4
96.96006	78.7
99.00886	0.5
99.04536	0.7
109.02947	1.5
111.00903	1.5
111.04516	6.0
113.02432	0.5
116.92882	0.5
127.04019	0.7
135.11836	0.9
137.02441	6.4
155.03481	5.6
167.03383	0.4
173.04535	100.0
174.04861	1.7
179.10765	6.0
180.11218	0.5
191.05586	6.9
223.09810	3.2
256.88297	0.4
260.99078	0.5
289.09454	0.4
353.15863	0.9
379.13504	0.5
395.07809	0.5
397.14984	28.7
398.15411	1.1
553.19617	0.6
571.20215	36.4
572.20264	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	571.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49376	0.4
57.03463	0.8
58.10284	0.4
59.01386	3.2
60.99299	1.2
61.98830	0.6
62.54015	0.4
67.01885	4.5
69.03436	1.1
71.01386	4.6
71.55514	0.7
73.02953	1.1
75.00873	3.2
79.95760	1.3
80.96511	0.6
81.03459	0.9
83.05019	1.3
85.02946	2.5
87.00898	1.4
88.98833	0.8
89.02479	0.6
93.03458	32.7
94.79132	0.4
96.96013	50.5
98.95609	1.0
99.00833	0.8
109.02921	0.9
111.00902	1.4
111.04513	7.2
113.02453	1.0
113.99571	0.7
115.00392	0.9
119.04990	0.4
119.47206	0.4
121.04260	0.4
127.04019	0.5
135.11803	1.8
137.02448	6.8
150.03259	0.8
155.03494	6.0
156.00659	0.8
161.09839	0.5
165.05516	0.7
173.04546	100.0
174.01701	5.4
174.04886	1.7
179.10779	9.1
191.05617	12.1
223.09715	4.5
224.10228	0.4
353.16031	0.8
367.06348	0.5
379.13925	0.5
395.07919	2.5
397.15012	34.7
398.15381	1.8
553.19250	0.6
571.20239	40.4
572.20367	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	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01386	5.0
60.65885	0.6
60.99331	0.8
61.98830	7.2
67.01899	5.4
69.03434	0.7
71.01373	5.2
71.56190	0.9
71.81129	0.8
79.95763	1.4
81.03451	1.7
83.05022	2.4
85.02966	2.6
89.02444	1.3
92.40215	0.7
93.03457	33.5
94.03805	1.1
95.01436	0.8
96.96013	52.2
98.95599	12.0
98.96440	1.3
99.92594	1.7
101.02457	1.1
109.02951	2.3
111.00887	2.0
111.04520	10.1
115.92078	2.6
116.92868	11.7
127.03993	1.1
129.01930	0.8
135.11823	4.2
137.02435	8.4
148.43661	0.7
155.03505	8.0
171.10297	1.0
173.04550	100.0
174.04890	1.8
175.02527	0.7
179.10779	17.9
191.05620	14.5
191.07338	0.8
223.09760	8.2
278.92029	0.7
330.56686	0.8
353.16312	0.8
397.15057	33.7
398.15088	2.1
399.14050	0.9
571.11798	2.4
571.20245	58.7
572.20184	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	569.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01737	0.5
61.98832	17.7
69.31470	1.4
69.31895	2.1
71.01379	13.3
72.99306	0.5
73.02949	9.6
73.30305	0.4
83.01393	2.4
85.02963	2.9
87.00933	0.4
87.04525	1.5
89.02444	6.3
95.01412	0.6
96.96035	1.3
99.00917	0.5
101.02441	8.1
113.02454	8.7
119.03530	1.7
131.03479	1.1
143.03532	1.0
149.04572	0.9
161.04579	3.7
171.10318	1.2
173.04550	0.8
179.05678	1.2
191.05614	0.6
283.47803	0.5
325.04074	0.4
465.28510	2.9
483.29929	1.3
509.26031	0.6
569.34973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92855	0.1
59.01375	0.4
61.98831	100.0
62.98528	0.1
64.44507	0.1
71.01385	0.3
74.39645	0.1
74.89462	0.1
78.95908	0.2
83.14899	0.1
85.02935	0.2
87.04545	0.1
89.02435	0.1
93.03484	0.2
96.96008	0.5
98.20646	0.4
113.02422	0.2
134.36455	0.1
137.02467	0.2
152.99551	0.2
171.10321	0.1
173.04570	0.5
174.04924	0.2
191.05576	0.6
215.56207	0.2
223.04921	0.1
327.38882	0.1
510.36075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98827	24.6
66.03509	0.9
70.02979	7.1
71.01377	3.3
71.26154	1.8
78.95895	2.1
80.05057	0.9
81.02200	0.9
82.06622	1.8
84.08195	1.5
85.02942	2.8
87.00832	1.0
88.98771	1.4
90.68714	0.8
93.03454	3.1
96.00909	21.4
96.96008	13.8
98.02470	30.7
99.00951	0.9
101.02425	1.5
109.01699	1.8
111.04531	1.0
112.07689	1.1
114.01964	5.5
115.08764	1.0
116.92847	1.3
119.05022	2.7
120.05391	0.7
124.07662	2.3
125.07162	0.9
126.49021	0.8
129.10333	43.7
130.08731	90.1
133.02956	1.3
134.84615	0.7
135.04504	2.0
137.02475	1.3
139.08734	0.8
140.07184	1.2
145.02913	1.1
151.08759	2.6
152.07135	4.9
152.99576	2.6
154.74231	0.7
155.03508	0.9
155.08191	1.6
159.88585	0.8
163.03951	1.8
166.08762	0.8
168.11320	1.0
169.09871	3.6
173.04562	6.6
176.04857	0.8
179.03532	2.2
181.09824	1.0
181.13380	1.0
183.11456	1.2
191.05623	7.7
192.06035	0.9
192.10707	0.9
194.11879	1.5
195.07742	4.5
195.14978	1.7
197.16579	11.3
199.18173	5.7
200.14139	1.4
211.14583	5.2
221.16505	1.0
223.14487	1.7
225.16048	1.9
226.11942	7.1
243.17108	15.1
244.12941	2.7
247.14407	1.2
249.16026	1.4
262.63324	0.8
265.15448	0.9
283.87567	0.9
285.03821	1.2
342.24023	1.3
378.23944	5.1
407.16476	0.9
408.17450	0.9
422.22922	57.3
423.23199	2.7
440.23993	4.0
532.27838	0.8
552.33972	100.0
553.34296	8.0
570.35065	70.1
571.35229	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	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98830	100.0
67.34729	0.2
69.83522	0.8
71.01389	0.7
76.15859	0.2
89.02457	0.9
101.02445	0.5
113.02464	0.2
115.31396	0.1
117.39234	0.2
119.03481	0.2
171.10292	1.8
171.54050	0.2
209.11887	0.6
227.12953	0.5
236.04474	0.2
341.10861	1.1
397.13583	0.7
415.14722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
61.98827	100.0
62.98518	0.1
63.11150	0.1
63.99258	0.5
67.77636	0.1
69.19840	1.1
71.01398	0.6
85.02938	0.2
87.00884	0.3
89.02429	0.6
96.96002	0.1
101.02455	0.4
113.02460	0.3
119.03523	0.2
121.37684	0.1
135.04662	0.1
171.10233	1.2
173.04529	0.3
179.03554	0.1
179.05589	0.2
191.05638	0.4
191.57999	0.1
209.11829	0.7
227.12930	0.5
231.06783	0.1
264.53116	0.1
333.52887	0.1
341.10904	0.9
362.14789	0.1
397.13721	0.5
415.14810	0.2
509.31625	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.00581	1.2
59.01376	100.0
61.98838	0.7
64.28134	0.5
69.03439	0.6
69.31691	3.3
69.32120	1.9
71.01380	30.8
72.14512	0.6
72.99294	0.6
73.02943	21.0
73.37896	0.6
83.01382	5.5
85.02961	6.2
87.00906	0.9
89.02442	14.4
95.01398	2.4
96.96038	1.0
99.00882	1.5
101.02439	19.0
113.02448	23.2
119.03481	4.8
125.02455	0.8
131.03523	1.7
143.03523	2.8
149.04587	1.7
155.03493	0.7
161.04552	8.1
179.05626	2.7
191.05580	0.7
370.81311	0.7
465.28467	7.5
483.29446	3.3
555.81799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2744
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
57.02059	1.1
59.01350	1.0
61.98814	1.9
68.99277	0.7
68.99567	7.4
70.03686	4.5
75.49917	0.9
78.95901	54.9
96.95985	0.9
96.96960	10.3
98.20569	1.3
112.98566	9.3
131.23628	1.1
152.99579	73.0
163.10626	0.9
171.00609	2.3
173.91690	0.9
223.00075	9.8
241.01181	19.1
253.21709	64.4
254.22089	2.5
259.02209	1.6
277.43860	1.1
315.04822	12.4
348.74802	1.2
376.43472	1.1
432.45819	1.0
569.27271	100.0
570.27515	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	569.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	0.2
59.01377	4.3
61.98828	100.0
63.99258	0.2
65.62733	0.2
70.55077	0.1
71.01379	3.2
73.02956	0.3
83.01379	0.2
83.05049	0.2
84.02200	0.2
84.13777	0.2
85.02967	0.6
87.00888	0.6
89.02442	4.3
95.01395	0.2
96.96017	0.6
97.02942	0.2
101.02449	2.1
112.57877	0.2
113.02413	1.2
118.02644	0.2
119.03484	1.3
125.02467	0.4
131.03537	0.2
143.03493	0.4
149.96686	0.2
161.04578	0.4
171.10258	7.4
172.10544	0.2
173.04546	0.2
179.05560	1.1
191.05594	0.3
209.11801	3.6
210.12193	0.2
227.12845	2.8
235.08197	0.5
253.09328	0.2
287.07870	0.2
305.08917	0.3
323.53568	0.2
341.10831	5.4
341.14798	0.3
342.10895	0.2
373.02765	0.1
397.13470	4.0
415.14563	1.5
569.24365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03440	0.7
58.00592	3.9
59.01375	89.5
59.76770	0.6
61.98814	2.3
69.26435	4.6
71.01377	62.6
72.99300	5.8
73.02953	3.3
75.00848	0.7
83.01383	2.2
85.02950	10.0
87.00865	6.3
89.02439	100.0
90.02740	0.9
93.03443	2.2
95.01369	3.4
96.96006	20.8
98.19930	1.2
99.00853	1.2
99.92572	5.4
101.02434	31.0
108.02182	1.0
113.02442	26.2
115.00368	0.7
116.92854	88.6
117.01933	3.3
117.03454	1.2
117.92890	2.1
119.03495	36.8
119.04897	1.0
123.04491	1.6
125.02433	1.3
131.03481	4.7
133.02945	1.1
134.03745	0.8
135.04561	1.4
141.51515	0.6
143.03471	8.4
145.02965	3.9
146.03694	0.8
147.04494	0.9
149.02425	0.5
149.04530	3.5
150.03183	0.6
151.04001	0.9
153.05521	0.6
161.02498	4.0
161.04544	7.6
162.03217	24.2
163.03860	0.9
171.10289	1.1
173.04500	3.7
177.04089	1.1
177.05547	17.5
179.03394	0.9
179.03790	1.0
179.05597	20.8
179.19536	0.6
180.04269	1.5
181.05042	10.8
183.80444	0.6
191.05594	5.0
195.06573	2.4
196.07387	9.1
211.09735	4.6
278.33347	0.6
357.11655	1.6
521.19623	0.8
569.27869	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	567.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27858	1.2
59.01371	4.5
61.98826	5.0
68.85309	1.0
70.65580	2.2
70.65927	2.7
71.01386	2.6
72.02139	1.6
78.95907	27.6
87.60017	1.1
96.96005	3.0
96.96955	2.3
110.98547	16.3
112.85194	1.1
120.11094	1.1
121.74094	1.2
127.07716	1.5
136.95949	1.1
137.00040	2.7
141.09236	3.1
152.99602	17.0
167.01205	6.2
167.14378	4.0
171.10298	3.0
183.13901	3.4
185.02211	8.4
195.13852	8.9
197.15485	1.5
207.10173	2.0
211.13448	3.2
211.17081	2.7
213.14957	11.1
223.00165	1.4
225.11287	2.1
227.12772	1.6
227.16406	2.1
237.14946	8.6
239.16541	5.3
241.01193	5.0
247.94754	1.3
251.20122	10.6
255.16019	89.6
256.16428	3.4
257.17584	100.0
258.17896	4.2
287.16696	1.3
315.04703	2.6
423.17902	73.3
424.18253	4.0
425.19415	47.0
426.19772	2.6
489.28647	1.9
504.73389	1.4
567.29810	48.9
568.29645	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	567.2945
Annotation	5-Oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
59.01379	53.6
61.98817	47.3
67.29272	20.0
71.01383	23.5
74.98004	20.6
74.98984	18.9
78.95898	46.5
82.33492	23.0
96.96006	92.8
98.19852	39.9
183.13861	29.6
227.12787	30.1
241.13350	23.0
253.09167	65.8
255.02994	27.5
283.02402	25.6
283.22794	30.5
285.03641	42.1
286.04819	23.9
295.22766	100.0
321.16928	33.4
363.25363	30.3
394.66315	44.9
397.76553	24.9
479.16861	30.2
549.28284	36.5
567.29102	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98834	1.0
67.55989	0.1
69.29510	1.1
71.01376	0.5
72.99297	0.1
73.02940	0.2
78.95904	0.3
79.35467	0.1
79.95735	2.5
85.02928	0.3
87.00865	0.4
88.98817	0.4
89.02438	0.5
93.03457	0.5
96.96006	100.0
99.00890	0.2
101.02437	0.4
108.77901	0.1
111.04557	0.1
113.02426	0.3
118.96633	0.1
119.05009	0.5
130.99944	0.1
135.04521	0.4
150.03322	0.3
155.03506	0.1
162.54599	0.1
163.04018	0.3
171.10249	0.7
173.04529	0.9
179.03456	0.2
191.05594	1.6
192.06033	0.2
209.11790	0.1
216.12552	0.1
269.38989	0.1
305.08826	0.1
337.08865	0.1
397.13776	0.3
415.14560	0.3
450.61102	0.1
454.78735	0.1
471.28363	0.2
521.20099	0.2
569.20453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92268	0.1
59.01377	0.5
61.98832	100.0
67.69364	0.1
69.56231	0.3
69.56644	0.5
71.01407	0.4
78.85689	0.1
81.65943	0.1
82.72586	0.1
83.01387	0.1
85.02974	0.3
87.00883	0.6
89.02441	0.2
93.03466	0.2
111.00886	0.4
113.02456	0.2
121.02959	0.9
125.42817	0.1
128.17926	0.1
129.01978	0.6
132.38412	0.1
135.04619	0.2
151.03993	0.2
165.01923	0.9
173.04565	0.4
191.05617	0.7
193.93103	0.2
209.11975	0.2
507.30295	0.3
523.24536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93924	0.8
61.98832	1.2
63.96230	1.1
69.67805	1.8
69.68217	3.8
71.01382	7.2
73.02929	2.0
78.95894	2.5
78.98602	4.4
79.95726	8.4
80.96513	55.1
81.03468	1.0
85.02953	1.3
87.00859	2.0
92.31650	0.9
94.98081	12.5
96.54287	0.8
96.96010	2.0
97.02930	1.3
101.02436	1.5
106.98071	2.7
122.97580	5.2
125.02462	2.0
134.97577	3.4
148.99094	4.8
152.98599	7.1
152.99626	1.8
164.98647	10.9
182.99629	2.2
206.99692	1.9
225.00717	14.2
243.01785	1.0
245.04311	2.1
246.04530	1.3
254.22153	1.2
267.23367	1.8
299.04324	2.1
345.03040	0.9
389.80057	0.8
482.26071	4.9
567.28418	100.0
568.28680	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	567.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72816	0.3
55.01878	0.5
55.60635	0.2
59.01075	0.3
59.01376	9.6
61.98827	100.0
71.01382	6.1
73.02944	2.5
81.03468	0.4
83.01414	0.3
85.02971	1.1
87.00870	0.6
87.29867	0.3
89.02437	8.2
96.96021	0.6
97.02815	0.4
98.20766	0.5
98.95587	0.3
99.00874	9.0
101.02432	2.3
111.00897	0.3
113.02448	1.7
116.92844	0.4
119.03517	0.6
125.02453	0.7
131.03482	2.1
143.03513	0.7
149.04550	8.8
152.06927	0.3
155.03523	0.8
161.04578	0.4
173.04611	0.8
191.05600	6.5
191.47313	0.3
192.05971	0.4
195.46236	0.3
203.05559	3.0
209.11800	2.9
227.13010	0.6
229.49702	0.4
233.06749	1.9
233.08839	0.4
236.30536	0.3
240.90492	0.3
253.09308	0.5
335.10028	0.4
371.85760	0.3
398.35345	0.3
507.30051	0.4
567.30872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39422	0.2
53.68604	0.2
59.01378	3.2
61.98827	100.0
68.63104	0.2
70.54298	0.2
71.01376	2.1
71.56355	0.3
72.99306	0.6
73.02948	0.7
75.00865	0.2
85.02959	0.5
87.00877	0.8
89.02436	2.4
96.96012	0.3
99.00867	2.5
101.02457	0.9
105.01959	0.9
111.04500	0.3
111.29725	0.2
113.02464	0.7
116.92878	1.1
117.92901	0.6
118.92683	0.7
118.99857	0.4
125.02471	0.4
131.03525	0.6
135.03011	0.2
149.04538	2.6
150.01784	0.2
165.05548	0.4
173.04585	0.6
191.05609	2.4
195.06712	0.2
203.05653	0.6
209.11777	1.0
219.52597	0.2
228.02031	0.2
233.06621	0.4
327.05118	0.3
344.24573	0.3
424.00406	0.2
447.09784	0.5
475.32834	0.2
506.29980	0.3
507.29874	1.3
567.30353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01379	65.4
60.01713	1.2
61.98829	100.0
71.01382	9.7
71.55560	0.8
72.99324	0.9
73.02950	1.8
73.51019	0.7
75.00877	0.7
78.95921	1.0
82.95440	0.7
83.01412	1.7
85.02932	4.4
87.00907	2.4
87.04511	1.0
89.02435	3.3
91.74345	0.7
92.11172	0.8
93.03470	2.7
95.01385	1.1
96.96011	12.1
98.57580	0.8
99.00929	1.5
101.02451	5.0
111.04499	0.9
113.02436	5.2
115.92065	1.1
116.92857	0.9
119.00035	0.7
119.03506	1.1
133.02954	0.9
134.03745	0.8
135.04543	2.0
137.02448	1.0
161.04626	2.0
173.04578	6.8
191.03537	1.9
191.05647	5.7
245.04691	1.4
285.04529	0.8
348.18680	0.8
369.85019	0.7
399.23813	10.8
417.24973	4.1
459.26163	7.2
462.27762	1.6
505.33978	1.0
506.34009	3.5
566.23444	1.2
566.32172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01379	65.4
60.01713	1.2
61.98829	100.0
71.01382	9.7
71.55560	0.8
72.99324	0.9
73.02950	1.8
73.51019	0.7
75.00877	0.7
78.95921	1.0
82.95440	0.7
83.01412	1.7
85.02932	4.4
87.00907	2.4
87.04511	1.0
89.02435	3.3
91.74345	0.7
92.11172	0.8
93.03470	2.7
95.01385	1.1
96.96011	12.1
98.57580	0.8
99.00929	1.5
101.02451	5.0
111.04499	0.9
113.02436	5.2
115.92065	1.1
116.92857	0.9
119.00035	0.7
119.03506	1.1
133.02954	0.9
134.03745	0.8
135.04543	2.0
137.02448	1.0
161.04626	2.0
173.04578	6.8
191.03537	1.9
191.05647	5.7
245.04691	1.4
285.04529	0.8
348.18680	0.8
369.85019	0.7
399.23813	10.8
417.24973	4.1
459.26163	7.2
462.27762	1.6
505.33978	1.0
506.34009	3.5
566.23444	1.2
566.32172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96237	8.1
58.69537	8.7
61.98832	19.2
69.71673	45.3
69.72088	20.3
78.95889	9.4
82.72918	8.3
85.02966	16.1
113.02497	9.1
158.97314	10.2
194.65997	10.5
247.26054	10.3
253.18062	16.4
255.02924	32.6
283.02524	24.1
285.04031	37.4
363.64703	17.2
393.66122	100.0
442.25720	10.8
444.27386	13.4
465.19571	9.7
477.66986	53.7
520.11261	10.1
565.27802	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11292	1.0
59.01375	5.9
59.49184	1.1
59.74170	1.1
61.98836	6.6
64.35374	1.0
69.03461	2.1
71.16072	2.4
81.39580	1.2
84.03443	1.5
96.96001	4.0
115.47747	1.2
149.09654	1.3
167.10744	2.5
173.04533	1.7
178.61180	1.1
179.10803	1.8
179.14365	3.9
191.05582	1.4
192.09651	1.2
195.13930	11.1
197.76613	1.3
205.12317	8.9
223.13365	100.0
224.13681	3.8
249.47849	1.1
269.04645	1.3
530.28003	1.1
565.27747	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	565.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
61.98828	19.6
63.99168	4.7
71.01380	12.5
71.55937	5.5
71.56288	5.7
75.04530	5.0
77.69202	4.7
78.05629	5.0
78.95904	40.3
85.02969	8.2
92.21620	4.6
96.95997	26.9
96.96939	7.5
97.02979	5.5
113.02469	18.8
152.99599	34.1
165.79187	5.5
174.01762	9.0
240.68541	5.7
241.01184	7.4
249.18544	14.9
254.85556	12.9
255.02982	15.9
267.09299	6.2
268.03665	7.3
283.02423	13.5
285.04160	32.0
293.21307	7.1
309.63770	7.0
315.04935	9.3
363.64978	8.0
393.66037	100.0
394.16013	12.5
407.17496	10.9
416.83386	6.1
444.27313	8.3
468.05515	5.8
477.67007	39.9
565.24768	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82172	1.3
57.03439	3.6
59.01377	2.1
60.38794	1.3
60.91354	1.4
61.98840	8.4
67.59990	1.4
69.03426	1.6
71.01348	1.8
71.56750	1.3
75.00864	1.8
75.14139	1.3
78.95896	9.2
83.05002	5.4
85.02938	3.1
93.03444	3.1
95.05031	3.2
95.73885	1.3
96.96013	3.3
97.06613	6.3
106.04207	4.2
107.05011	4.5
108.42239	1.3
109.02915	1.6
110.98493	3.1
111.08170	2.4
113.02441	4.1
119.05038	3.0
121.02958	3.0
121.10232	2.8
122.03830	1.7
133.06596	4.6
135.04547	2.6
152.99590	3.4
159.11729	8.4
161.09831	2.0
175.11224	2.5
177.12842	65.8
178.13239	1.6
187.11263	3.3
203.10767	29.6
221.11818	30.8
221.63350	2.2
239.12825	4.3
241.01126	3.5
249.18474	2.0
253.14433	100.0
254.14719	3.3
255.02887	4.6
281.17313	1.7
283.02365	5.0
285.03995	10.1
293.21152	2.6
311.16550	47.2
312.16885	2.3
312.68967	1.7
344.16980	1.3
393.66052	15.4
394.16168	1.7
444.27618	3.6
477.66946	8.5
565.25128	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	565.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.2
57.03194	1.8
57.03447	18.4
59.01374	10.1
61.98825	6.3
68.99796	1.3
69.46602	7.8
69.47028	3.6
70.09794	1.4
70.85315	1.5
71.01381	12.6
72.99300	2.3
75.00861	6.0
83.01385	35.9
85.02951	21.1
87.00873	29.8
87.01376	1.9
88.54211	1.5
89.02451	3.3
89.03413	1.4
99.00888	10.8
101.02439	4.3
111.00879	15.0
129.01938	100.0
130.02263	1.8
136.40665	1.5
143.03500	14.4
147.02998	39.5
149.04581	2.0
150.26537	1.6
161.04544	6.0
191.01965	31.1
191.05560	2.6
223.04565	21.8
332.12350	1.5
341.10989	2.8
403.20621	1.8
420.95337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2685
Annotation	Dmp 323
Peak:m/z	Relative Intensity
59.01361	1.3
61.98809	1.7
63.96231	0.9
69.03439	0.5
70.10936	0.6
71.01378	7.5
71.56145	0.7
73.02928	1.7
75.00884	0.6
78.95897	0.8
78.98602	4.2
79.95736	8.5
80.96514	58.6
81.03450	1.1
83.01360	0.8
85.02947	2.4
85.54668	0.5
87.00877	2.7
90.62638	0.5
91.18867	0.5
94.36041	0.5
94.98089	13.8
96.96010	3.8
97.02954	1.4
99.00863	0.7
101.02477	2.8
104.54292	0.5
106.98058	2.8
109.02927	0.5
113.02461	0.5
116.48190	0.5
122.97588	5.0
125.02428	3.3
127.04019	0.7
134.97578	3.7
136.99141	1.3
139.67508	0.6
148.99124	5.1
152.98616	6.4
152.99713	0.8
164.98611	11.0
164.99876	1.0
169.95958	0.6
182.99680	1.8
188.98622	0.7
196.44029	0.6
206.99634	2.7
212.60001	0.5
225.00725	18.1
243.01718	1.4
252.27817	0.6
265.21683	2.7
276.89478	0.5
277.21762	1.3
279.23273	6.6
280.23557	2.1
299.04355	2.8
504.30673	2.0
505.31299	1.9
517.10974	0.6
527.28430	1.0
565.26825	100.0
566.27185	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	564.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63346	1.2
57.03424	2.0
57.31886	1.2
59.01111	1.5
59.01381	20.3
61.98831	18.4
68.81912	1.6
69.69930	4.8
69.70335	3.1
71.01377	18.1
73.02955	7.3
73.03313	1.2
83.01376	4.5
85.02939	9.8
87.00865	2.1
89.02444	4.4
93.03445	3.8
95.01363	1.8
96.96018	10.4
99.00873	2.2
101.02448	16.5
110.74039	1.5
111.00856	4.1
112.35433	1.3
113.02465	7.0
113.43031	1.7
161.04643	1.6
173.04524	6.5
191.05658	2.8
191.49306	1.5
193.04980	2.0
225.24980	1.4
229.66054	1.4
239.18446	1.4
292.19263	3.9
310.20197	2.8
342.22891	18.4
402.14749	1.6
459.09152	2.2
504.28152	100.0
505.28497	4.4
564.20496	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	563.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74310	0.3
55.01872	1.4
57.03447	4.4
58.00594	0.7
59.01376	100.0
60.01688	0.5
61.98825	2.5
67.01893	1.1
68.58726	0.3
69.03128	0.2
69.03449	2.0
70.76749	0.6
71.01376	23.6
71.05021	0.7
72.99308	2.1
73.02938	5.3
74.96024	0.3
75.00864	0.4
81.03468	1.0
82.95425	0.5
83.01380	4.3
83.05034	0.5
84.02164	0.5
85.02944	15.6
87.00876	4.7
87.04510	0.4
89.02443	7.9
93.03448	6.3
95.01382	2.7
96.96013	3.1
97.02959	1.7
97.06591	1.2
98.95595	2.0
98.96433	0.5
99.00886	2.6
99.04520	0.6
101.02435	12.8
109.02956	0.7
111.00879	1.4
111.04496	2.0
111.08153	0.6
112.01648	0.3
113.02438	13.1
113.09732	0.8
115.04007	0.4
116.92854	0.8
119.03503	2.6
124.01661	0.5
125.02418	1.5
125.09689	0.5
127.03992	0.5
127.11246	1.4
129.01913	0.7
131.03488	0.3
133.02953	2.9
134.03751	3.3
135.04514	1.0
137.02428	1.9
137.09708	3.1
143.03511	2.8
146.03658	0.4
147.04552	0.9
149.04483	0.3
150.03238	0.4
153.12848	1.2
155.03479	1.9
155.10754	3.1
157.12315	2.1
158.03726	0.5
159.02971	0.4
159.04530	0.7
160.05280	0.3
161.04559	3.9
161.05934	0.6
163.22935	0.3
171.10252	7.8
172.05206	0.7
173.04543	17.6
173.06004	1.4
173.11800	1.6
174.03224	0.9
174.04836	0.4
174.06853	0.7
175.03984	1.2
175.07576	0.7
176.04762	0.4
177.01907	1.2
177.05470	0.3
178.02716	1.9
179.05644	0.9
183.13887	2.7
183.77272	0.3
185.06044	0.3
186.06841	0.8
187.04039	0.7
187.07652	0.9
187.13437	0.6
191.05586	10.5
199.07703	0.5
200.04851	0.4
201.05537	1.0
201.09218	0.5
201.11391	0.4
201.14946	5.1
202.06378	0.7
203.07147	1.7
204.07870	2.2
209.11894	0.5
211.07664	0.6
211.13368	5.9
214.06303	2.2
215.07071	1.3
217.08725	0.5
221.11838	0.6
229.08694	1.3
229.14403	2.5
230.09491	1.4
230.15221	1.8
232.07402	1.2
239.12819	0.4
247.09775	1.2
248.10506	0.8
251.16466	0.8
253.09258	15.8
254.09506	0.6
257.15433	0.5
271.13275	0.4
283.13388	1.0
285.20581	0.4
291.19699	1.1
299.16531	0.6
301.14392	0.9
309.14914	2.8
309.20584	0.6
311.12924	0.7
313.23801	0.4
327.16086	4.2
327.21722	28.5
328.22012	1.5
329.13916	0.8
341.26944	1.3
345.12866	0.7
345.16925	7.7
345.21439	0.4
345.23053	0.5
346.17447	0.6
353.13858	0.4
357.26297	0.6
359.27997	14.4
360.27936	0.4
371.14935	6.9
372.15588	0.4
374.19431	0.7
383.27695	0.5
389.16046	5.3
407.22922	0.3
437.28821	0.3
455.30194	0.8
467.30029	0.5
473.31317	0.5
485.31097	1.0
503.32211	96.2
504.32626	6.2
521.33264	27.9
522.33728	2.2
545.20679	0.6
545.33087	2.8
563.21582	5.2
563.34894	3.2
564.21692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88322	0.3
52.18574	0.3
54.35706	0.3
54.36641	0.3
55.01877	1.2
57.03446	3.4
58.00595	0.6
59.01376	46.1
60.01724	0.4
61.98835	1.1
62.13087	0.3
65.77893	0.3
67.01871	0.7
69.03453	2.4
70.41605	0.5
71.01379	17.8
71.05016	0.7
71.16769	0.3
71.33292	0.3
72.99306	1.3
73.02939	3.7
81.03452	0.7
82.41101	0.3
83.01388	2.3
83.05029	1.2
84.02163	0.7
85.02948	14.5
87.00874	4.7
87.04533	0.5
89.02437	9.8
89.03001	0.5
89.57280	0.3
91.03993	0.4
93.03457	5.1
95.01385	1.6
95.05025	0.8
96.96040	0.5
97.02943	1.7
97.06597	3.7
99.00909	1.5
101.02440	13.0
101.03107	0.7
105.03480	0.5
106.04247	0.3
107.05051	0.4
109.02955	0.6
109.06618	0.5
111.00858	0.4
111.04491	2.1
113.02448	9.5
119.03510	3.6
121.10223	0.5
123.04476	0.3
123.08205	0.5
125.02428	0.9
125.09719	1.2
127.04021	0.6
127.10463	0.3
127.11284	1.5
129.01938	0.4
133.02965	1.4
134.03752	2.8
135.04507	0.9
137.02423	1.4
137.09706	2.8
143.03510	1.7
146.03754	0.4
147.04488	0.3
151.11278	0.3
153.09138	0.3
155.03510	1.7
155.10786	1.0
157.12285	0.5
158.07393	0.3
159.03094	0.6
159.04433	0.5
161.04549	5.7
165.12842	0.7
167.14418	0.4
170.16371	0.3
171.10258	20.4
172.05342	0.5
172.10501	0.6
173.04556	14.2
173.06015	1.1
174.06793	0.5
175.04002	0.7
175.07603	1.0
176.04839	0.3
176.08421	0.4
177.01901	0.6
177.12820	0.8
178.02658	0.8
179.03462	0.4
179.05620	1.6
181.12325	0.3
183.13892	4.4
185.11864	1.2
186.06859	1.1
187.03996	0.4
187.07681	0.5
191.05595	14.1
193.12309	1.0
197.11906	0.4
200.04701	0.5
201.05571	0.9
201.09302	0.4
201.11298	1.0
201.14809	0.4
202.06418	0.4
203.07092	1.6
203.10799	0.6
204.07910	1.2
205.08527	0.4
209.11749	1.4
211.07594	0.7
211.13371	17.0
212.13739	0.5
214.06334	1.8
215.07114	1.3
221.11827	2.6
229.08681	1.1
229.14417	9.9
230.09322	0.9
232.07414	1.1
233.06801	0.4
239.12823	1.8
247.09659	1.0
248.10542	0.6
251.16472	0.4
253.09267	39.2
254.09622	1.1
255.13913	0.4
269.04309	0.3
274.08377	0.4
281.08109	0.7
283.13336	1.2
291.19574	2.9
299.16556	0.6
301.14468	0.9
309.14908	1.2
309.20605	1.9
311.12869	1.1
327.16296	3.2
327.21732	100.0
328.22049	4.0
329.13925	0.5
341.26971	0.9
345.12982	0.5
345.16998	6.3
346.17465	0.5
347.20520	0.9
353.13922	1.2
359.27997	2.6
363.20206	0.3
371.14902	4.9
372.15259	0.4
383.28439	0.4
389.16034	4.6
419.40128	0.3
485.31015	0.4
503.32202	31.5
504.32767	1.6
521.33252	8.8
522.33655	0.4
545.19958	1.0
563.21301	5.4
563.30981	4.3
564.21936	0.4
564.30438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06283	0.4
55.01880	1.1
56.93502	0.5
57.03444	3.6
57.69487	0.4
58.00602	0.8
59.01378	36.8
61.98829	0.8
62.48957	0.4
67.01888	1.6
69.03454	2.5
70.23667	1.8
71.01379	16.3
71.01778	0.9
72.99320	1.1
73.02946	3.7
81.03447	0.8
82.95427	0.8
83.01380	2.0
83.05033	1.2
84.02164	0.6
85.02948	16.5
87.00878	6.0
87.04478	0.4
89.02440	10.7
93.03463	8.1
95.01406	1.5
95.05040	0.7
96.96024	0.7
97.02950	2.4
97.06585	3.5
99.00864	2.0
101.02439	12.9
105.03507	0.4
109.02974	1.0
109.06566	0.5
111.00932	0.7
111.04523	2.6
111.08188	0.6
113.02450	9.0
119.03477	3.8
119.08646	0.6
121.10291	0.5
125.02444	0.9
125.09693	0.9
127.04029	0.9
127.11301	1.5
131.03557	0.5
133.02962	3.3
134.03738	6.8
135.04520	1.9
137.02420	2.2
137.09723	3.8
138.13852	0.5
142.36485	0.4
143.03491	1.1
147.04492	0.7
151.04089	0.4
151.11343	0.5
155.03545	2.5
155.10756	0.8
155.14487	0.6
158.03720	0.5
159.03017	0.5
159.04436	0.7
161.02483	0.4
161.04572	7.1
161.05952	0.9
163.07678	0.4
165.12784	0.5
167.14395	0.5
171.10258	28.2
172.05324	0.9
173.04543	20.1
173.05957	1.0
174.03227	0.8
174.05013	0.6
174.06810	0.9
175.04012	0.7
175.07649	1.5
176.04820	0.5
177.01965	1.3
177.12820	0.7
178.02693	2.3
179.03514	0.7
179.05562	3.4
183.04350	0.4
183.13887	4.1
184.05275	0.5
185.11826	0.7
186.06888	1.6
187.04012	0.9
187.07594	1.1
188.04807	0.5
189.05553	0.6
191.05602	23.6
192.05905	0.6
193.12311	1.0
195.13847	0.5
197.05951	0.5
200.04802	0.9
201.05540	0.9
201.11354	1.8
202.06372	1.4
203.07100	1.2
203.10826	0.5
204.07896	1.7
209.11763	1.2
211.07675	0.8
211.13373	17.6
214.06345	2.7
215.07111	1.6
221.11790	2.3
229.08678	1.6
229.12292	0.8
229.14426	8.1
230.02322	0.4
232.07504	0.6
239.12938	1.3
247.09662	0.6
248.10413	0.8
251.16527	0.7
253.09271	54.7
254.09613	1.2
269.04547	0.6
271.13525	0.5
281.15396	0.5
283.13654	0.9
283.16806	0.4
291.19702	2.6
291.22812	0.4
299.16489	1.2
301.14316	1.1
309.11606	0.6
309.14951	5.6
309.20612	1.0
311.12921	1.5
317.17526	0.7
327.16251	6.2
327.21729	100.0
328.16495	0.4
328.22122	3.7
329.13922	1.1
341.26843	1.3
345.12949	1.0
345.17023	13.1
346.17429	0.7
353.13953	3.1
359.28073	2.2
371.14938	14.9
372.15283	1.0
389.16006	5.7
462.81827	0.4
503.32257	19.9
504.32629	1.1
521.33191	5.6
545.20972	2.3
563.21259	9.6
563.30798	5.2
564.21765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51544	18.1
58.56728	18.5
58.69263	19.0
59.01377	44.0
61.98825	92.4
71.01352	21.2
71.47658	18.4
71.56523	17.0
71.56924	25.0
78.95900	33.9
96.95966	30.3
125.02412	18.5
135.04536	25.0
135.58875	19.3
164.53297	19.8
173.04567	76.5
191.05637	40.7
281.67520	20.4
291.19662	100.0
294.31018	21.0
309.20770	27.8
345.16959	29.1
563.26105	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	563.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05535	10.7
51.48497	12.2
59.01367	51.7
61.98826	76.6
71.01376	17.8
71.55734	17.9
89.02409	13.8
89.13408	11.7
93.03459	55.2
96.96015	27.6
107.36900	11.1
110.96806	11.2
111.04503	16.1
127.77215	11.4
133.02914	29.3
134.03706	27.1
135.04521	30.8
137.02420	13.6
155.03493	11.6
160.74919	12.7
163.03983	15.3
171.10233	12.8
173.04541	100.0
178.02705	20.1
179.03464	22.1
187.53845	13.4
190.06267	21.0
191.05592	79.6
211.13557	13.7
231.72360	14.0
253.09554	15.2
291.19626	30.8
309.14670	16.8
327.16052	18.5
345.16980	37.6
563.26624	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98830	1.2
63.47720	0.5
63.96248	1.0
68.85284	0.5
69.03465	1.1
71.01387	6.6
71.55422	0.5
73.02967	1.4
74.29352	0.5
78.98606	5.5
79.95744	8.4
80.96522	64.8
81.03439	1.1
85.02969	2.6
87.00893	2.2
94.98090	14.0
96.95999	0.9
97.02959	1.4
101.02457	2.1
106.98086	3.2
122.97591	4.4
125.02449	2.6
127.04009	0.9
134.97598	4.7
136.99179	1.2
148.99142	6.8
152.98608	5.8
152.99556	0.6
155.82713	0.5
164.98627	10.0
182.99649	2.0
188.98642	0.7
206.99680	3.4
225.00752	14.4
226.01192	0.6
243.01877	1.6
263.20129	2.1
277.21826	1.3
297.99692	0.5
299.04422	2.1
541.51288	0.5
563.25330	100.0
564.25726	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45052	1.1
55.04057	1.0
57.03435	1.5
59.01376	5.2
63.95908	1.0
67.01881	4.8
71.01377	5.0
72.99330	1.6
83.05025	2.2
85.02937	9.8
87.00872	8.4
92.00828	1.2
93.03459	43.5
99.04501	1.4
105.03424	3.5
106.04263	1.2
107.52540	1.1
108.02167	2.0
109.02972	6.5
111.00854	1.5
111.04483	6.7
121.02940	4.6
124.01642	6.2
125.02461	3.1
127.04025	2.8
132.02203	2.7
133.02953	26.1
134.03748	30.1
135.04521	68.2
136.05070	1.3
137.02441	21.1
139.04068	5.3
150.03189	4.0
151.04015	9.1
155.03529	7.5
160.01633	5.0
172.05237	2.6
173.04544	83.9
174.03169	3.4
174.04814	2.2
176.04744	1.4
177.01924	9.8
178.02696	30.6
179.03484	14.5
180.04202	1.3
184.05228	1.4
186.06784	1.7
187.03984	4.7
187.07651	2.4
188.04750	1.3
189.05481	1.3
191.05600	100.0
192.05862	2.6
198.06740	1.3
201.05592	1.5
201.09128	1.5
202.06319	2.0
205.08609	1.5
211.13396	8.2
212.45882	1.3
214.06429	2.1
215.05389	1.6
215.07159	2.9
228.04366	1.5
229.08618	1.5
233.08369	1.9
247.09679	2.6
253.09319	2.4
257.15350	1.4
274.08240	1.8
283.13422	2.8
299.16528	4.2
301.14340	2.8
307.07947	1.4
308.09009	15.6
309.14871	9.6
313.72009	1.2
325.20972	1.1
327.15988	25.8
327.19958	1.4
327.21753	2.7
328.16360	1.9
345.12869	2.2
345.17023	35.1
351.07159	10.2
352.07956	29.6
353.08157	1.4
353.13748	3.2
371.14941	46.8
372.15320	4.3
389.16040	8.2
545.20325	4.3
563.21271	43.6
563.28503	0.8
564.21704	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	563.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10752	0.2
57.03439	0.9
59.01379	5.9
60.99293	0.4
61.98838	1.1
63.67722	0.2
67.01888	4.5
68.99799	0.2
69.03457	1.3
71.01384	5.2
71.55990	0.3
72.99300	0.5
73.02944	1.1
80.96509	0.2
81.03445	1.0
82.95426	0.3
83.01382	0.7
83.05020	1.0
85.02952	1.9
87.00866	1.5
89.02436	1.3
93.03455	27.5
94.03770	0.3
95.01385	0.5
96.96013	2.2
97.02876	0.2
98.02476	0.4
99.00871	0.7
101.02435	1.4
108.02195	0.3
109.02966	1.0
111.00172	0.3
111.00890	4.1
111.04511	4.5
113.02457	1.5
119.03506	0.5
121.02937	1.3
122.03724	0.4
125.02445	0.2
127.03999	0.6
129.01907	0.6
133.02953	0.5
134.03740	4.1
135.04539	0.5
137.02441	4.5
141.01913	0.8
149.02461	1.6
149.06053	1.0
150.03223	4.9
155.03488	4.8
159.02995	1.3
161.04515	0.3
164.04828	0.2
165.05557	4.0
173.04535	100.0
174.04875	1.9
178.02721	2.0
179.03342	0.3
180.04298	0.3
191.05618	3.7
192.05998	0.3
193.05046	7.1
193.06804	0.5
195.06589	2.3
210.36049	0.2
239.07176	0.3
250.06493	0.4
253.08983	0.3
267.06818	0.4
282.09048	0.8
283.05988	0.3
294.20743	0.9
301.14615	0.4
311.05579	0.4
341.10254	3.7
342.22791	0.8
343.23080	0.7
344.24417	2.2
359.14978	0.5
360.23911	0.5
371.15070	0.5
389.12326	1.5
389.21371	0.3
504.28079	5.5
519.20227	0.3
522.29315	1.2
563.18066	3.2
563.26550	0.4
564.30963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.4
60.99299	12.9
70.76958	1.7
71.01384	9.7
72.99308	78.5
75.00871	19.1
87.00883	6.3
89.02443	40.9
99.00891	3.8
101.02448	1.6
105.01957	4.6
115.00373	36.5
117.01945	19.6
127.00410	1.9
133.01434	100.0
145.01428	60.0
149.04515	1.9
149.20064	1.4
177.04062	2.1
177.92618	1.4
197.68828	1.4
218.80304	1.7
221.03058	30.9
304.70685	2.0
503.16144	4.7
529.46997	1.5
593.33405	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	563.1404
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
54.36351	0.6
58.00580	1.0
59.01379	22.2
66.92561	0.5
69.62472	2.5
69.62890	1.0
71.01385	14.9
72.99321	1.8
73.02935	1.4
75.00861	0.8
82.95409	1.3
82.96111	0.7
85.02950	1.5
85.46149	0.6
87.00829	0.6
88.98804	1.3
89.01929	0.9
89.02454	13.6
93.03450	2.0
96.95996	3.1
98.95586	2.5
101.02454	0.8
111.00880	0.6
113.02440	0.9
115.92068	0.7
117.03455	4.6
121.02958	1.1
125.02397	0.7
131.01384	1.3
131.03415	0.6
135.04578	0.9
151.03979	0.7
159.04524	1.1
161.02466	1.5
163.00314	0.7
170.24170	0.5
173.02481	1.7
173.04555	2.6
175.00368	5.5
175.07594	0.6
191.05618	4.0
225.05423	0.8
237.05470	0.8
269.04599	6.0
279.06693	0.7
281.04523	6.6
282.05322	3.6
283.06113	14.4
293.04562	51.4
294.04904	2.3
295.02747	0.7
295.06009	4.6
309.04187	1.0
311.05627	24.5
312.05783	0.9
314.04230	3.1
323.05582	9.5
325.07178	1.1
329.13840	2.5
335.05551	2.6
337.07138	0.7
341.06653	24.3
342.06998	0.8
353.06702	2.7
355.08328	1.2
385.75854	0.6
389.16068	0.9
413.08749	13.4
431.09933	4.2
443.09824	3.3
503.19104	0.6
563.14038	100.0
564.14319	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	563.1398
Annotation	Apiin
Peak:m/z	Relative Intensity
57.03431	0.3
59.01376	3.1
61.98813	1.2
63.02398	1.4
65.00322	0.5
65.95184	0.3
67.01892	0.5
69.03474	0.3
71.01383	2.1
71.56004	0.2
72.99292	0.9
73.02932	0.6
74.02457	0.3
75.00854	0.4
81.03458	0.2
85.02944	0.9
85.66608	0.3
87.00871	2.8
88.98799	1.3
89.02432	1.0
93.03450	4.1
93.41676	0.2
96.96001	3.9
99.00830	0.5
101.02422	0.4
102.17340	0.2
105.01927	0.7
107.01361	1.2
108.02192	0.2
109.02933	0.4
111.04507	1.0
113.02448	0.8
117.03474	3.2
121.02956	0.5
127.03922	0.3
135.04547	0.3
136.01624	0.3
137.02454	0.7
147.03003	0.4
149.02429	0.9
150.74536	0.2
151.00362	1.0
151.04021	0.4
155.03543	1.3
159.04497	1.7
161.02444	0.7
161.04533	0.3
163.03932	0.3
169.06592	0.3
169.12459	0.2
173.04544	9.6
173.05925	0.4
174.04842	0.3
175.07674	0.4
181.06593	0.5
183.04500	0.8
187.04001	2.2
187.07619	0.4
189.05598	0.3
191.05608	5.6
196.05299	0.3
197.06047	1.0
201.05574	0.9
201.09113	0.5
211.07657	0.6
213.05614	0.4
224.04826	0.4
225.05562	1.1
225.09190	0.9
227.03487	0.6
227.10808	0.3
229.08838	0.4
239.03455	0.3
240.04298	0.4
253.08742	0.6
254.09465	0.7
255.10220	0.3
255.13867	1.2
268.03726	8.0
269.04526	100.0
270.04861	3.9
270.12622	0.3
271.13504	0.3
273.14987	0.3
283.13379	3.1
299.16306	0.5
301.14468	0.6
309.14874	0.7
311.05402	0.3
311.12851	2.1
327.12256	1.2
327.15994	3.5
327.21756	0.7
329.10410	0.3
329.13846	1.6
345.13031	0.4
345.17038	4.1
353.13934	0.5
359.15137	0.3
371.14999	6.5
389.16098	2.3
389.25345	1.6
397.12759	0.2
431.09650	1.3
479.09702	0.3
503.24625	0.3
545.20160	1.3
546.20752	0.3
563.13995	39.2
563.21228	2.3
563.29504	1.3
564.14423	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	562.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79030	0.3
57.91987	0.3
61.98828	100.0
71.56043	0.6
71.90469	0.3
80.96523	1.3
121.02924	2.1
121.38204	0.3
123.64795	0.3
179.03503	2.1
192.86307	0.3
237.32425	0.3
245.55559	0.3
319.23178	0.3
563.25342	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	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98832	3.3
71.55848	0.7
78.95911	9.3
95.77102	0.6
96.96022	2.7
122.00088	0.6
140.01192	2.4
152.99593	0.9
155.14418	0.7
165.12881	0.6
181.12292	0.8
196.03743	0.8
199.13393	20.8
200.13858	1.0
214.04897	3.4
262.21838	0.6
279.19678	4.3
347.25931	5.9
363.25558	0.6
365.26950	100.0
366.27228	4.2
562.31555	26.4
563.32458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35909	1.6
55.01893	1.9
57.03419	1.9
57.17609	1.8
59.01377	100.0
60.50859	1.5
61.98826	2.9
64.29949	1.6
67.01913	3.8
69.03434	4.3
69.32691	2.5
69.33089	13.2
69.55170	1.6
71.01379	41.1
73.02943	53.5
76.32444	1.6
83.01382	13.7
85.02954	15.4
85.46729	1.7
87.00892	3.8
88.98811	2.1
89.02435	9.7
89.56165	1.6
93.03454	25.8
95.01378	3.2
96.96001	16.4
97.02929	1.9
98.95567	2.2
101.02441	53.1
108.02176	4.7
109.02953	2.8
111.04520	3.2
113.02444	18.3
119.03505	4.8
121.02959	7.3
123.04525	6.5
123.48232	1.6
125.02418	3.6
129.60005	1.5
131.03485	5.2
133.02921	7.7
134.03690	3.5
135.04521	6.4
136.01659	65.1
137.02399	5.1
143.03482	4.6
145.73772	1.9
149.02386	2.4
149.04549	9.0
151.04001	83.6
152.04301	1.9
155.03482	5.9
160.01680	4.8
160.05244	4.0
161.02481	7.9
161.04533	16.7
162.03162	2.3
163.00374	1.8
173.04507	15.0
177.01929	6.0
179.03487	3.1
188.04735	3.8
191.05600	64.9
203.07112	6.7
215.05681	2.7
215.74748	1.6
221.06569	1.8
263.07104	2.9
269.04507	18.5
279.06516	4.1
281.08194	3.7
294.08902	2.9
297.04013	10.5
298.04724	7.4
303.68842	1.7
309.07654	13.2
309.11261	8.4
310.07977	1.8
313.03491	3.8
322.27423	1.9
324.09970	8.3
325.03482	4.8
326.04102	2.0
339.12366	29.0
342.11099	5.3
351.07224	6.6
357.13397	88.5
358.13751	5.1
369.09616	14.3
387.14658	2.6
395.11374	4.8
423.10840	25.2
441.11874	5.9
446.08484	6.8
471.12427	2.0
501.30768	2.6
543.14905	31.5
544.14996	3.0
561.15369	8.9
561.30255	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	561.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.3
59.01378	4.6
61.98820	0.4
68.93056	0.2
71.01373	1.6
72.99298	0.2
73.02947	0.5
78.95895	0.2
79.95734	2.6
83.01398	0.3
83.23588	0.2
85.02963	0.9
87.00877	0.3
89.02444	0.6
93.03432	0.5
96.96004	100.0
97.62587	0.2
97.95953	0.2
101.02442	0.8
111.04478	0.2
113.02441	1.0
119.03481	0.3
136.53094	0.2
161.04539	0.6
173.04547	1.4
183.13870	0.4
188.04474	0.2
191.05586	0.7
227.07022	0.2
229.72346	0.2
251.20135	0.2
269.04504	1.3
270.21497	0.2
284.03262	0.2
285.04138	0.3
297.03964	1.1
298.04712	1.7
313.03500	0.9
325.03336	0.2
325.09668	0.3
325.14511	0.4
326.04288	0.3
343.15396	0.3
345.21143	0.2
348.72617	0.2
376.77264	0.2
385.11810	0.2
387.14539	0.3
395.11368	0.4
423.10675	1.4
441.12064	0.4
445.08078	0.5
446.08502	1.5
463.21750	0.5
501.16370	0.7
501.30603	2.5
519.31805	1.0
543.15125	2.3
561.19354	0.5
561.30975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12034	0.2
50.40168	0.1
59.01379	3.8
61.98819	1.1
62.35813	0.2
65.09847	0.2
69.25742	1.4
71.01380	1.8
73.02945	0.5
78.33974	0.2
79.95737	2.8
81.03469	0.2
85.02934	1.2
87.00872	0.2
89.02441	0.6
93.03454	0.8
95.01346	0.2
95.05006	0.2
96.96007	100.0
99.00909	0.3
101.02454	0.9
111.04510	0.4
113.02436	0.8
119.03466	0.2
137.02356	0.2
154.57494	0.2
161.02444	0.2
164.01024	0.2
171.10265	0.3
172.05414	0.3
173.04524	1.5
174.06891	0.2
178.99829	0.2
180.59866	0.2
183.13870	0.3
187.03957	0.2
191.05612	4.3
199.07687	0.2
201.05513	0.2
202.06348	0.4
212.04636	0.2
227.07159	0.4
245.08270	0.3
253.09258	0.7
256.41202	0.2
265.08301	0.2
269.04575	2.2
285.03964	0.4
292.90353	0.2
297.04050	1.7
297.14941	0.3
298.04739	2.1
313.03452	1.2
325.03479	0.3
325.09744	0.3
325.14420	0.4
325.20087	0.8
326.04333	0.4
327.05078	0.3
336.71362	0.2
341.14117	0.3
343.15549	1.1
357.12424	0.2
369.13345	2.2
387.14456	0.7
395.11337	0.3
420.82471	0.2
423.10782	2.0
441.11911	0.8
445.07736	1.0
446.08636	1.6
463.21927	0.5
501.16718	0.7
501.30649	1.9
519.31671	0.8
543.14972	3.2
561.16577	1.0
561.28955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01376	5.0
60.99304	0.6
61.98824	3.2
65.00339	0.4
65.07666	0.4
67.01881	1.3
69.03459	0.5
70.93361	0.7
71.01375	6.2
72.01768	0.5
72.99281	0.5
73.02938	1.6
73.03328	0.4
77.03944	2.4
79.95757	0.5
80.91704	0.4
81.03451	0.9
82.95361	0.4
83.01392	0.5
83.05024	1.3
85.02951	2.6
87.00875	2.0
88.98793	2.3
89.02458	1.8
89.03965	0.9
93.03447	11.2
94.03795	0.4
95.01441	0.4
95.05016	4.1
96.96003	16.1
98.95592	1.3
98.96439	0.5
99.00869	1.6
101.02450	1.5
105.03459	15.5
109.02935	0.8
111.00837	0.6
111.04514	4.4
113.02455	1.8
116.92862	0.5
119.03512	0.7
119.05021	0.7
119.18161	0.4
121.02937	1.5
123.04514	1.9
125.02401	0.7
127.04005	0.8
129.01889	0.4
132.02217	1.1
133.02948	100.0
134.03795	5.6
135.04524	9.6
137.02422	5.0
139.04044	0.9
141.01830	0.6
149.02477	1.1
149.04497	0.8
150.03172	0.5
151.04008	1.2
155.03490	4.5
160.01682	0.5
161.02423	1.7
161.04532	0.8
163.00404	0.5
164.04807	0.6
165.01929	0.7
167.03535	0.4
173.04533	25.6
174.04909	0.4
177.01913	81.6
178.02699	10.8
179.03499	5.2
179.07083	0.8
191.05592	14.7
191.06863	0.7
193.01381	0.5
193.04958	0.7
194.05775	0.8
209.08173	2.3
209.11427	0.4
217.08817	0.4
225.11340	0.4
229.08588	0.5
233.04482	0.9
253.08940	0.4
255.06758	0.5
265.07870	0.6
297.04083	0.5
309.07977	0.4
309.11539	0.5
311.04984	0.4
323.05569	0.6
325.14471	1.4
327.12326	0.8
338.07568	0.4
343.11703	1.2
343.15500	1.0
351.07175	9.8
352.07864	0.9
357.09662	1.9
367.10638	0.4
369.09485	2.5
369.13525	1.1
386.48575	0.4
387.10669	6.8
387.14862	0.9
387.23657	1.0
388.11386	0.8
415.16064	0.6
423.10703	4.6
435.18637	1.3
441.11932	1.3
453.11731	1.4
457.16815	0.9
471.12610	0.6
543.14966	3.0
560.30273	0.8
561.15277	10.9
561.29816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20071	0.7
52.91127	0.7
57.48556	0.6
59.01381	17.8
61.98817	2.3
68.79684	0.7
69.52020	4.0
71.01369	3.1
73.02947	1.1
79.16180	0.7
82.18578	0.8
83.89473	0.7
88.22308	0.7
89.02448	3.0
96.96001	2.9
98.20669	0.7
101.02439	3.2
113.02455	1.8
119.03381	0.8
133.13200	0.7
143.03496	1.0
161.04483	0.9
171.37408	0.7
204.36693	0.8
235.08205	2.3
253.09299	16.5
263.20135	100.0
264.20444	3.6
333.59476	0.8
373.13400	0.8
553.27972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3261
Annotation	Montanin
Peak:m/z	Relative Intensity
57.03446	2.8
57.41726	1.1
59.01381	48.7
61.01124	1.0
61.98825	8.5
65.38716	1.3
69.63559	4.9
71.01381	22.6
73.02944	5.6
75.00869	1.9
79.95732	1.5
82.95413	2.3
83.01394	3.8
85.02950	11.0
87.00885	3.6
89.02451	14.3
93.03446	5.7
95.01366	2.0
96.96012	69.7
97.06617	1.5
99.00895	4.2
101.02439	12.9
102.62144	1.1
106.55490	1.3
107.01390	2.5
108.02159	1.4
111.04509	1.8
113.02448	17.5
115.62154	1.1
119.03521	5.1
119.05020	1.6
121.02977	1.5
123.04590	1.4
125.02465	5.4
133.03003	1.9
135.04518	1.2
137.02383	1.7
143.03427	1.8
145.02980	1.5
149.04477	1.7
151.00392	6.4
155.03574	1.3
155.10919	1.8
156.00644	4.4
161.04579	4.5
163.03978	1.3
167.03514	3.6
173.04533	11.9
175.02422	1.6
177.01903	2.3
179.03545	1.5
179.05646	4.0
187.07588	1.6
191.05612	14.7
211.13519	2.6
231.10378	1.5
253.09218	1.6
253.96951	1.3
269.04663	2.7
340.05099	1.2
341.13818	1.4
355.03320	1.4
363.66547	1.3
381.09692	2.3
382.10181	2.1
383.10931	12.2
385.12997	4.2
398.25677	2.6
441.25015	1.4
471.51300	1.3
481.28375	1.8
499.29135	10.5
515.48663	1.3
517.30292	4.3
521.33459	3.4
523.34961	14.9
559.14313	5.2
559.32568	100.0
560.33081	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	559.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
61.98835	0.1
63.55073	0.1
67.32297	0.1
69.46170	0.6
77.35683	0.1
79.95737	2.8
79.96201	0.1
82.34589	0.1
85.02961	0.1
96.96008	100.0
97.95954	0.3
131.25873	0.1
133.02994	0.1
173.04552	0.3
185.27888	0.1
191.05597	0.2
198.08868	0.1
285.04071	0.9
461.07202	0.5
522.37683	0.1
559.19995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.96712	0.3
59.01371	3.4
61.98833	2.2
63.96234	0.5
67.01891	0.8
69.03439	1.0
70.88493	0.8
71.01376	6.1
72.99324	0.4
73.02946	1.0
77.05762	0.3
78.95899	0.4
78.98590	3.9
79.95736	7.0
80.96513	35.0
81.03474	0.6
83.01374	0.9
83.05019	0.4
85.02942	2.1
87.00852	1.7
89.02426	1.0
93.03455	5.4
94.98082	8.5
95.01349	0.3
96.96005	100.0
97.02934	1.0
99.00890	0.8
101.02441	2.1
101.03012	0.3
106.98071	2.2
107.01371	0.5
109.02894	0.4
111.04533	1.0
113.02463	0.9
119.05009	0.9
122.97584	3.0
124.39403	0.3
125.02404	2.4
126.90334	0.4
127.04013	0.6
134.97606	2.7
135.11816	0.7
136.99199	0.7
137.02451	1.1
148.99135	3.4
149.06071	1.2
151.00378	1.0
152.98604	3.9
152.99574	0.4
155.03531	1.0
161.04602	0.4
161.09726	0.4
164.98619	6.8
173.04533	14.5
174.04860	0.6
179.03448	0.5
179.10779	2.8
182.99687	1.6
191.05630	2.1
202.88887	0.3
206.99702	1.7
209.11778	2.6
223.09718	2.4
225.00729	12.6
243.01761	1.0
265.10623	0.4
285.04044	2.3
299.04343	2.3
317.01224	0.9
385.15070	1.3
397.14713	1.1
461.07230	1.0
471.29013	0.5
479.06335	2.1
499.18124	0.8
527.18213	1.4
559.20605	74.8
560.20947	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	557.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01376	4.3
61.98807	0.4
63.02401	1.6
65.00323	5.1
67.01875	0.6
67.44791	0.4
71.01384	4.7
72.99294	1.0
73.02943	0.6
75.00862	1.9
77.08894	0.3
83.01376	3.3
85.02943	6.5
87.00874	1.5
89.02451	0.8
95.01380	1.6
96.96017	0.8
99.00884	2.7
101.02428	0.5
103.00379	0.9
107.01387	7.6
113.02446	11.4
115.00353	0.6
117.01927	1.1
123.04519	1.6
124.01657	1.0
125.02435	7.0
151.00363	21.2
152.01097	0.6
165.01923	0.5
167.03473	2.5
172.05316	1.2
173.06056	0.8
175.02504	4.3
185.06044	1.8
186.06870	2.5
196.05255	0.7
198.03255	0.5
200.04831	0.6
200.08344	0.5
201.09204	5.3
211.07619	2.7
213.05569	0.5
223.07550	0.4
224.04738	0.9
225.05238	0.4
226.02730	0.5
227.07346	0.4
229.08669	7.7
229.79059	0.5
237.05627	0.5
238.06424	0.7
240.04271	0.7
244.58769	0.4
251.07040	0.7
253.08784	1.0
255.06625	5.2
266.05893	1.2
277.08813	0.5
279.06732	2.1
284.03265	0.6
295.09689	0.9
306.05383	0.5
308.03253	0.9
309.03998	6.8
319.09848	0.5
320.06760	0.6
325.07358	0.4
334.04874	0.4
335.09171	0.9
337.07068	2.8
363.08731	7.9
364.08972	0.6
381.09766	100.0
382.10080	5.9
412.33624	0.4
539.11200	0.5
557.12964	21.9
558.13531	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	558.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66990	0.2
58.36422	0.2
59.01373	1.5
60.98226	0.2
61.98832	100.0
67.52095	0.2
68.95398	0.2
69.97190	0.2
71.01382	0.7
71.56100	0.2
83.76800	0.2
84.56108	0.2
85.02958	0.3
87.17818	0.2
88.66019	0.2
88.98816	0.3
89.02449	0.6
93.03448	0.3
96.96014	6.6
97.74141	0.2
99.00922	0.2
101.02464	0.4
113.02455	0.5
113.73240	0.2
122.65269	0.2
128.03508	0.3
144.30574	0.2
151.00348	0.2
158.52510	0.2
163.99115	0.2
173.04556	0.8
179.05650	0.2
191.05611	0.5
215.01625	0.2
558.13171	0.3
558.29547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.41558	0.4
59.01383	0.7
59.06638	0.5
63.96224	1.4
69.19611	0.4
71.01373	6.5
73.02935	2.0
78.98587	5.5
79.95732	7.9
80.80341	0.4
80.96513	57.9
81.03446	1.0
85.02943	3.1
85.93429	0.4
87.00864	2.8
92.17407	0.4
92.44936	0.4
94.97475	0.9
94.98080	14.0
96.96014	1.0
97.02947	1.3
99.00867	0.6
101.02433	1.9
106.98083	3.0
113.02405	0.4
122.97588	3.6
125.02418	3.5
127.04015	0.6
134.97600	3.3
136.99179	0.9
146.97557	0.5
148.99129	5.5
152.98633	5.9
164.98615	10.6
167.00253	0.5
167.93143	0.4
182.99660	2.3
204.09769	0.4
206.99658	2.7
225.00737	17.5
243.01756	1.6
255.23216	2.4
299.04419	3.1
395.24695	0.4
555.28369	100.0
556.28552	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.0
57.41610	0.3
59.01381	8.3
61.98833	0.6
63.02398	2.4
64.56822	0.4
65.00325	7.5
69.03455	0.4
69.61250	2.3
71.01383	6.3
72.99293	0.7
73.02947	1.7
73.30162	0.4
75.00872	2.4
83.01388	3.8
85.02955	6.2
87.00874	1.7
89.02441	0.8
93.03465	0.4
95.01382	1.9
96.96024	3.5
99.00888	3.2
99.04509	4.2
101.02430	2.2
103.00369	1.0
107.01393	11.9
113.01710	0.7
113.02454	10.1
115.00334	0.9
117.01965	0.7
123.04534	1.0
124.01663	0.5
125.02448	12.0
129.01979	0.5
133.72148	0.4
146.03740	0.4
151.00372	30.0
165.01944	0.5
167.03526	1.5
169.01451	0.5
172.05296	3.2
173.04576	0.5
174.03242	0.9
175.02472	3.4
181.19304	0.4
186.06914	0.5
187.04031	0.5
194.80176	0.4
198.03183	0.4
199.07687	0.7
200.04785	0.8
201.09207	28.8
202.09612	1.1
209.06094	0.6
212.04802	0.7
223.07555	0.7
225.09215	0.4
227.07166	1.4
229.08682	16.4
249.09186	0.5
251.07184	2.2
253.08694	0.5
255.02901	0.7
255.06604	2.5
256.03763	0.7
277.08990	0.7
279.06570	3.8
283.02426	1.1
284.03308	1.2
292.03635	0.8
295.02670	0.7
297.04257	0.8
298.04700	0.5
301.05853	0.6
308.03290	3.7
309.04044	8.0
319.02563	1.5
320.03220	5.8
321.03842	0.6
322.04803	0.6
323.05435	0.7
324.02795	1.4
334.08392	0.5
335.09247	2.5
337.03638	0.6
337.07184	0.9
338.04272	3.7
351.08707	6.2
353.10281	6.0
354.66647	0.4
363.08719	19.9
364.09210	1.1
381.09784	100.0
382.10092	5.1
392.16159	0.8
393.09634	0.6
437.08606	0.8
521.33337	0.5
539.11926	0.8
557.13007	29.4
557.31506	1.8
558.13214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85418	1.4
53.17626	1.6
59.01386	14.0
61.98827	7.9
62.22758	1.1
62.65429	1.2
64.95327	1.0
69.31750	5.3
69.32170	4.1
71.01373	9.2
71.42694	1.3
73.02968	1.9
78.95894	2.2
83.05016	3.8
85.02979	2.0
87.00899	1.7
88.98817	2.3
89.02444	14.1
93.03452	2.4
95.01397	1.7
96.96019	6.0
101.02470	6.7
102.05690	1.2
113.02454	4.7
119.03504	3.9
121.02927	1.5
128.03485	2.3
135.04611	1.9
149.78320	1.2
155.70569	1.2
161.04507	2.2
163.11292	2.1
165.12840	2.3
173.04546	2.3
179.05605	5.2
179.07060	1.4
182.52373	1.2
191.05563	3.3
209.11827	100.0
210.12265	3.2
227.12888	16.2
253.05008	1.5
253.09239	16.5
263.07193	1.8
281.08218	3.4
309.07761	13.3
323.09189	2.9
324.10043	9.5
325.10544	1.5
339.12375	22.8
379.08127	4.3
381.59055	1.4
445.21109	2.5
555.23578	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	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16297	1.1
59.01381	8.2
61.98800	0.9
71.01376	3.8
71.56175	1.1
83.01376	1.1
83.05029	2.5
85.02924	1.1
88.98801	0.8
89.02443	3.3
96.96008	3.8
101.02431	3.6
101.75259	1.0
113.02457	1.2
118.60371	0.9
121.83870	0.8
135.04535	1.4
156.43175	0.9
163.11285	3.0
165.05550	0.9
165.12830	2.0
166.05070	1.6
167.05382	1.1
173.04488	1.2
191.05678	1.0
209.11826	100.0
210.12195	2.7
227.12880	14.2
253.09265	14.1
445.20676	1.6
529.23798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98378	0.9
57.03447	1.0
57.21984	0.9
59.01372	14.5
61.98827	7.3
65.00327	1.7
69.36624	2.8
69.37033	5.4
71.01377	8.9
73.02935	1.4
78.95862	1.4
82.95421	1.2
83.01386	1.2
83.05017	3.4
85.02936	2.0
87.00860	1.5
89.02448	9.9
93.03473	1.3
96.96015	3.5
98.20682	2.1
99.00850	1.6
101.02442	6.1
107.01365	1.7
109.02915	1.2
113.02451	4.0
118.63825	0.9
119.03470	4.1
121.02881	1.5
125.02421	2.8
135.04514	1.5
151.00369	8.4
161.04509	2.9
163.11285	2.5
165.12823	2.2
173.04524	1.6
179.05571	6.8
191.05557	3.5
198.06818	1.0
209.11807	100.0
210.12120	3.0
227.07127	5.1
227.12872	16.6
253.04945	3.9
253.09241	18.0
272.62842	1.2
309.11298	2.3
324.10007	1.5
335.05191	1.3
339.12311	4.7
379.08200	21.0
380.08414	1.6
445.20575	3.6
458.02588	1.2
489.47043	1.3
501.17590	2.2
555.10675	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	553.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
59.91362	0.3
61.98818	0.4
63.96231	0.8
70.41338	1.2
71.01375	5.7
73.02943	1.8
78.98588	5.8
79.95735	8.3
80.96513	61.2
81.03454	0.8
85.02931	2.0
87.00876	2.7
94.98085	16.0
95.01397	0.4
96.96015	0.8
97.02947	1.4
99.00841	0.6
101.02425	3.3
103.11044	0.4
106.98064	2.7
107.58971	0.3
122.97579	4.7
125.02429	3.2
127.04049	0.6
127.20524	0.3
134.97583	3.9
136.99159	1.0
148.99146	5.7
152.98615	7.1
164.98622	9.9
182.99712	2.3
188.98573	0.4
206.99651	3.3
212.34882	0.4
225.00722	17.3
226.01024	0.4
243.01834	1.7
253.21716	3.2
299.04391	2.9
430.50983	0.4
553.26831	100.0
554.27191	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	553.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75213	0.2
59.01374	1.9
59.88049	0.2
61.98827	100.0
71.01386	0.9
71.56551	0.2
73.02946	0.3
76.05343	0.2
76.23989	0.2
78.95912	0.2
79.95737	0.2
83.01408	0.2
85.02965	0.6
87.54514	0.2
88.98826	0.3
89.02460	0.4
93.03487	0.3
96.96007	4.4
96.96603	0.3
99.00916	0.2
113.02433	0.3
119.04983	0.2
120.79829	0.2
134.03807	0.2
135.04538	0.6
137.02431	0.4
149.02492	0.3
150.03246	0.7
153.05615	0.2
153.07907	0.2
153.41508	0.2
163.04037	0.2
164.04779	0.5
165.01624	0.2
165.05574	0.7
166.05032	0.3
167.41911	0.2
173.04562	0.8
177.22319	0.2
179.03612	0.4
179.07129	0.2
183.72136	0.2
184.14346	0.1
191.05614	1.0
195.06612	0.6
200.00964	0.2
219.87825	0.2
249.02672	0.2
269.04617	0.3
509.28226	0.2
535.22400	0.2
553.27838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29243	1.8
54.07791	1.6
59.01380	100.0
61.98823	4.5
71.01377	10.3
71.57046	2.6
73.02962	10.9
78.95944	2.1
83.01406	2.4
85.02914	2.3
85.91482	1.8
89.02448	4.4
93.03435	1.8
96.96018	7.0
101.02442	11.7
113.02445	6.1
161.04568	2.1
173.04610	1.9
191.05643	7.3
261.29279	1.7
368.68567	2.1
553.34546	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.4
60.64151	0.4
68.20223	0.4
70.22557	0.7
70.22943	0.7
71.01379	1.2
78.95909	5.5
78.98578	0.6
79.95744	1.9
80.96515	10.4
82.96082	0.4
87.00841	0.3
89.26456	0.4
94.98098	1.8
96.96025	0.6
101.02412	0.6
106.98100	0.7
108.49612	0.3
111.77348	0.4
122.97544	1.0
125.02429	0.7
134.97568	0.7
136.99152	0.3
148.99170	0.8
152.98584	0.9
152.99591	1.1
164.98653	2.0
165.98955	0.3
168.04262	1.2
177.00098	0.4
186.06348	0.4
210.78337	0.3
224.06847	0.9
225.00659	2.5
226.01009	1.0
242.07935	2.6
254.22052	0.5
261.21927	0.6
277.21347	0.5
279.23273	100.0
280.23557	4.0
294.82266	0.3
299.04254	0.4
310.78003	0.3
406.74792	0.4
420.45908	0.4
504.30960	43.5
505.31326	2.5
547.99713	0.4
554.27209	18.7
555.27124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15382	0.2
57.03431	0.2
59.01379	4.4
61.98827	1.8
69.70654	0.9
71.01365	1.0
72.71371	0.2
73.02942	0.7
75.00845	0.3
78.95901	0.4
79.95744	2.7
83.01418	0.2
85.02950	0.6
87.00866	0.2
89.02479	0.3
93.03458	0.5
96.96012	100.0
98.19946	0.2
99.00877	0.3
101.02427	1.2
113.02426	0.6
114.93410	0.5
115.43983	0.2
118.27025	0.2
119.05055	0.2
135.04552	0.2
149.02428	0.2
149.04504	0.2
150.03255	0.4
163.03943	0.3
165.05565	0.5
173.04555	0.7
191.05643	0.8
198.79187	0.2
240.87015	0.2
269.04471	0.3
279.06900	0.2
303.21384	0.2
307.06186	0.5
322.08447	0.2
335.20715	0.3
337.10794	1.4
379.23376	0.3
467.15900	0.3
467.25165	0.9
505.18869	0.6
508.28348	0.4
509.26230	2.0
553.24512	0.5
553.32892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15382	0.2
57.03431	0.2
59.01379	4.4
61.98827	1.8
69.70654	0.9
71.01365	1.0
72.71371	0.2
73.02942	0.7
75.00845	0.3
78.95901	0.4
79.95744	2.7
83.01418	0.2
85.02950	0.6
87.00866	0.2
89.02479	0.3
93.03458	0.5
96.96012	100.0
98.19946	0.2
99.00877	0.3
101.02427	1.2
113.02426	0.6
114.93410	0.5
115.43983	0.2
118.27025	0.2
119.05055	0.2
135.04552	0.2
149.02428	0.2
149.04504	0.2
150.03255	0.4
163.03943	0.3
165.05565	0.5
173.04555	0.7
191.05643	0.8
198.79187	0.2
240.87015	0.2
269.04471	0.3
279.06900	0.2
303.21384	0.2
307.06186	0.5
322.08447	0.2
335.20715	0.3
337.10794	1.4
379.23376	0.3
467.15900	0.3
467.25165	0.9
505.18869	0.6
508.28348	0.4
509.26230	2.0
553.24512	0.5
553.32892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71348	0.3
59.01377	14.9
69.87210	1.8
71.01377	2.1
73.02960	0.7
80.96513	0.4
83.01376	0.4
85.02955	0.8
87.00880	0.6
89.02443	2.4
101.02422	2.6
103.00365	0.9
113.02450	0.8
119.03465	0.7
128.48570	0.3
143.03506	0.4
161.04494	0.9
191.05547	0.4
235.08192	3.0
253.09276	12.9
255.23271	100.0
256.23593	5.0
279.23312	0.7
409.58536	0.4
435.22586	0.4
447.25256	0.5
462.04016	0.4
463.71902	0.8
491.32364	0.7
551.37439	0.4
572.80255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.4
61.35969	0.4
71.01385	4.9
71.26176	0.7
73.02944	1.2
78.95891	0.4
79.95710	0.5
83.01393	0.4
85.02934	1.5
87.00840	0.6
89.02445	4.6
99.00857	0.5
101.02461	4.4
113.02457	2.2
119.03483	1.1
161.04579	1.3
179.05518	0.8
235.08247	2.4
253.09308	18.5
254.09631	0.5
255.23302	100.0
256.23712	4.3
270.40414	0.4
414.84387	0.5
491.32230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98811	0.3
69.18124	3.7
71.01370	0.6
78.14935	0.3
78.95909	7.0
80.96514	1.8
94.98059	0.4
101.57552	0.3
113.65774	0.3
122.70614	0.3
152.99564	1.4
168.04335	1.9
170.07368	0.3
203.37189	0.3
224.06903	1.7
233.22911	0.5
239.69427	0.4
242.07942	3.5
277.21725	100.0
278.22073	4.4
356.64557	0.4
502.29434	47.4
503.29984	2.3
552.25488	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	553.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46462	0.1
59.01377	1.7
61.98835	2.7
71.01378	0.7
73.02941	0.3
78.95911	0.3
79.95740	2.6
82.42696	0.1
85.02970	0.3
87.00841	0.2
88.98809	0.3
89.02411	0.3
93.03412	0.2
96.96013	100.0
99.00864	0.2
101.02431	0.6
108.02152	0.3
109.02964	0.2
113.02472	0.4
114.93391	0.2
119.05062	0.2
121.06600	0.2
122.06088	0.3
132.04546	0.2
135.00861	0.2
135.04564	0.3
152.01166	0.6
152.07155	0.7
166.05196	0.2
167.03513	0.8
173.04607	0.7
189.54083	0.1
191.05623	0.5
281.09451	0.3
387.22083	0.2
467.25354	0.3
478.19742	0.2
509.26373	0.4
522.18896	0.4
552.31476	0.2
553.19330	0.3
553.30804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66098	18.6
61.98829	100.0
66.92188	19.8
78.81562	25.1
80.96497	26.1
96.96014	22.1
103.00385	25.8
165.67827	20.8
171.10130	31.9
209.11800	39.8
227.12901	26.3
279.23187	61.6
309.20602	30.1
312.52298	25.6
350.81644	22.1
551.30127	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
58.00582	2.7
59.01377	80.7
61.98831	7.0
69.03439	2.7
69.23287	8.4
71.01380	56.4
72.99292	3.1
73.02943	32.2
81.03468	1.5
83.01392	2.3
85.02949	7.8
87.00880	1.6
89.02441	85.8
90.02781	0.9
96.96009	1.8
97.02942	3.5
99.00877	100.0
100.01210	1.5
101.02441	13.5
113.02440	14.9
118.03134	0.8
119.03515	1.8
119.05048	1.9
124.42721	0.7
125.02442	8.2
131.03497	21.6
143.03500	9.1
149.04547	89.0
150.04973	1.3
155.03491	8.1
161.04581	5.9
163.03995	1.1
166.52905	0.8
173.04541	2.5
187.67587	1.0
191.05597	46.8
193.97264	0.8
203.03786	1.8
203.05594	26.1
233.06635	13.1
261.16159	0.8
266.15955	1.0
279.06357	1.2
283.26901	0.8
313.67017	0.8
335.09848	3.9
551.21826	2.2
551.34277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56448	0.7
55.01863	0.8
57.03444	1.1
58.00584	0.8
59.01382	70.9
61.03682	0.6
61.98834	5.5
69.03455	1.3
71.01003	1.3
71.01384	19.2
71.56300	0.9
72.99309	1.8
73.02950	6.3
74.72627	0.7
82.95420	1.2
83.01411	3.7
83.05053	0.6
84.95119	1.5
85.02954	8.5
85.28752	0.7
87.00875	1.8
88.98823	1.1
89.02444	8.4
93.03459	2.6
93.22293	0.7
95.01390	1.5
96.96012	2.3
98.58203	0.7
99.00861	1.7
101.02448	14.7
111.04520	1.0
113.02454	8.6
119.03513	2.7
119.05060	4.0
122.06096	0.7
125.02444	1.0
134.33664	0.8
135.04520	2.4
137.02460	1.0
139.04004	1.6
143.03493	1.5
159.02956	0.7
161.04602	3.7
161.05766	0.6
163.04012	3.0
165.05518	0.9
165.12846	6.0
173.04559	4.6
174.04895	1.2
179.05669	1.8
179.10858	0.7
183.13902	13.2
191.05597	2.6
209.11749	0.7
227.12892	10.9
251.13023	0.7
269.14035	0.9
285.04047	0.7
303.21750	2.7
329.15961	2.5
329.25284	1.5
341.10867	2.2
347.28006	1.4
370.91837	0.7
377.28204	1.1
389.17963	4.6
447.25867	4.2
465.27094	10.9
489.26996	3.2
491.32211	8.7
492.32486	0.9
507.28082	100.0
508.28409	5.3
509.33582	2.0
533.33807	0.9
551.23474	17.8
551.32892	3.2
551.88629	0.7
552.22809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76302	0.7
57.03461	0.9
59.01378	80.4
61.18692	0.6
61.98832	8.8
69.03441	0.7
70.88561	1.6
71.01376	12.9
72.99279	1.3
73.02953	4.8
75.00844	1.2
81.03452	0.7
82.95419	1.4
83.01366	3.4
85.02950	8.4
86.71287	0.6
87.00848	3.2
88.98804	1.1
89.02444	2.9
93.03455	2.7
94.98103	1.2
95.01380	1.0
96.96020	4.2
97.02956	0.6
97.06563	0.7
98.95604	0.8
99.00881	2.7
101.02438	11.6
102.55340	0.7
111.00882	0.9
111.04516	1.0
113.02454	5.0
119.03539	0.9
119.05038	1.7
119.96568	0.7
121.02995	1.0
121.21456	0.6
133.03018	0.8
134.03722	2.1
135.04518	1.4
137.02438	1.2
138.51231	0.7
145.63033	0.7
151.00333	1.2
159.02969	0.9
161.04529	1.4
163.04152	0.7
173.04558	5.6
177.01863	0.8
178.02635	0.9
183.13892	1.4
191.05571	5.2
227.12918	1.0
243.19606	0.8
261.66129	0.7
285.04190	1.4
285.20731	1.0
301.07233	1.2
302.07535	1.2
303.07788	1.5
303.21655	2.5
332.73349	0.8
405.25226	0.9
447.25739	5.1
465.27039	7.9
489.27264	3.4
507.28070	100.0
508.28323	7.3
519.14319	0.8
551.31287	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	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.4
58.44888	1.0
59.01376	83.4
60.01723	1.3
61.98826	8.9
68.15686	1.0
69.03458	2.3
69.35657	2.0
69.36073	7.7
71.01377	61.9
72.99297	2.6
73.02945	30.6
73.03354	1.8
81.03433	1.9
83.01405	4.2
85.02946	7.7
87.00887	1.5
89.02437	85.4
95.01411	1.5
97.02962	3.6
99.00874	100.0
101.02444	14.8
113.02442	17.7
118.85390	1.2
119.03492	2.3
119.05058	3.8
125.02424	9.5
125.30729	1.1
131.03484	23.8
143.03519	7.3
149.04543	95.2
155.03531	5.8
161.04477	6.3
163.04002	2.6
173.04561	2.1
189.99170	1.1
191.05591	46.8
203.05602	25.2
233.06622	15.2
249.45541	1.2
335.09763	2.9
551.21259	2.6
551.33826	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93827	1.9
55.01869	3.3
57.03439	3.4
59.01379	79.3
61.98828	11.2
71.01380	39.6
71.56814	2.4
72.99322	2.9
73.02948	13.3
83.01403	8.8
85.02948	14.2
87.00874	10.2
89.02448	18.4
93.03455	6.4
95.01393	2.6
96.96007	7.6
97.02943	2.3
99.00851	3.6
101.02436	31.2
113.02435	17.7
119.03491	4.7
119.05018	5.2
134.03819	2.5
134.73564	1.9
135.04454	2.3
138.05612	2.4
143.03473	2.6
145.02997	1.8
147.04572	2.2
152.70958	1.9
153.22812	1.8
161.04602	6.8
163.03961	3.9
165.11427	2.1
165.12839	40.0
173.03098	1.6
173.04472	9.7
179.05626	2.3
183.13904	100.0
184.14261	2.5
191.05615	5.5
195.13837	1.8
197.15497	14.2
207.13901	6.4
209.11813	8.3
225.14944	7.2
227.12874	99.9
241.14204	2.2
251.12857	3.1
269.13907	10.7
285.03949	2.2
295.10812	2.8
299.14923	7.9
303.21838	2.9
328.24860	6.5
329.16061	29.1
329.25211	6.8
334.37027	2.0
341.10861	4.8
371.16974	1.9
371.27966	3.0
389.18127	87.9
390.18423	4.7
447.25937	5.3
465.26862	12.4
491.30786	6.3
507.28061	76.7
508.28503	3.3
533.33148	9.3
542.03571	2.4
551.23499	66.8
551.34021	35.7
552.23279	2.3
552.34637	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	28.4
59.01373	18.3
59.06076	2.7
69.27477	15.0
69.27901	7.7
71.01379	17.1
72.99304	3.2
74.35835	2.2
74.41684	2.5
75.00873	7.2
83.01384	5.9
85.02939	24.0
87.00874	100.0
89.02430	8.3
99.00867	10.0
101.02445	9.8
105.05965	2.9
111.00890	8.5
129.01930	47.5
135.03041	5.2
135.04507	9.6
147.02992	40.2
147.04219	4.3
148.05276	4.2
160.05170	3.2
162.03152	4.9
162.06877	3.0
165.04128	3.4
173.04578	3.0
177.05589	5.2
180.74084	2.4
191.00249	3.7
191.01982	74.4
191.05615	8.7
195.08661	2.4
204.04204	3.4
205.05072	3.3
209.03101	22.1
209.06654	49.8
216.04248	5.4
217.08688	9.1
219.06584	11.2
231.06595	11.6
235.06081	3.2
249.07718	9.0
249.40228	2.6
251.05591	4.3
265.07483	2.8
293.06714	13.7
297.10010	4.3
341.10645	6.8
353.08719	65.9
372.80334	2.6
426.38919	2.6
515.14313	3.1
551.11517	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	551.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86362	0.5
57.03439	0.5
58.88435	0.5
59.01380	0.7
59.46967	0.6
65.90905	0.6
71.01379	1.3
71.54942	0.8
83.01395	0.9
89.02454	0.6
96.95991	0.6
99.00889	4.6
116.64043	0.5
123.04485	0.9
125.02439	0.6
131.05061	0.6
134.03719	2.0
135.04510	3.1
145.02985	0.7
146.03717	0.9
147.04465	4.0
148.05305	3.5
149.06084	1.7
159.04486	1.3
160.05275	5.6
161.02419	1.1
161.06067	2.1
162.03194	3.1
162.06848	4.3
163.03964	1.6
163.07619	2.3
164.04703	1.0
167.79158	0.7
171.04509	0.8
172.05237	1.3
173.04701	1.1
173.06070	4.4
174.03149	1.0
175.03949	3.1
175.07628	2.2
176.04762	1.8
177.05557	8.6
178.06363	1.1
184.05246	1.9
185.06009	1.3
187.03972	2.0
187.07607	0.7
188.04796	7.5
189.05527	2.2
190.02722	1.2
190.06348	3.5
191.03462	0.7
191.07101	1.3
193.04985	0.9
193.08719	0.9
199.07607	0.9
201.05585	1.4
202.06360	4.5
203.07100	2.8
204.04247	4.7
205.05043	5.3
205.08652	2.0
206.05762	1.3
207.06606	2.4
214.06316	1.6
215.03609	1.2
216.04268	8.8
217.08653	13.3
218.02203	0.7
219.03175	0.7
219.06606	15.4
221.08168	6.7
229.04945	0.9
229.08752	1.1
231.06593	19.1
231.08810	1.3
232.07196	1.0
233.04527	4.2
235.06090	6.7
249.07651	13.1
249.10248	0.8
250.08156	1.0
251.05612	6.2
258.05209	0.9
261.07693	1.6
265.07138	2.4
273.07648	1.6
291.08691	3.8
293.06680	18.9
293.10068	0.9
309.09778	3.8
323.54620	0.6
353.08731	100.0
354.09149	4.2
393.11899	1.6
411.13193	0.7
413.10800	1.6
420.69601	0.7
455.12222	0.9
482.74973	0.6
515.14087	3.2
551.11725	33.2
552.11981	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	551.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.6
60.99662	0.8
61.98815	4.6
69.19198	7.3
69.75143	0.7
71.01372	2.7
83.01342	1.1
85.02920	1.0
85.06294	0.7
87.00865	1.2
96.95999	2.7
99.00874	5.0
107.49245	0.7
117.02030	0.7
119.05005	1.1
123.04518	1.1
133.28871	0.7
134.03732	1.3
135.04520	2.3
141.01663	2.1
141.31541	0.8
146.03697	1.0
147.04475	4.1
148.05278	3.3
149.06038	1.3
159.04449	1.5
160.05292	5.0
161.02458	0.8
161.06027	2.1
162.03191	4.1
162.06834	3.0
163.07637	3.3
172.05258	0.9
173.04648	1.8
173.06078	3.9
175.03995	1.7
175.07625	2.9
176.04787	2.1
177.05568	10.3
178.06398	1.2
184.05247	1.6
188.04745	6.1
188.40332	0.8
189.05479	2.4
190.02789	1.5
190.06352	4.4
191.05530	1.6
191.07127	1.6
193.77676	0.9
199.65843	0.7
201.05545	1.1
202.06342	4.9
203.07063	4.5
204.04247	6.3
205.05014	4.1
205.08714	2.6
206.05882	1.1
207.06621	2.9
214.06320	1.0
215.03552	1.0
216.04274	8.0
217.08656	12.2
219.06592	16.8
221.08160	8.4
231.06602	17.9
232.07045	1.1
233.04556	4.2
235.06094	6.6
245.85809	0.9
249.07613	13.0
251.05609	6.6
261.07831	1.3
265.07080	2.7
267.60608	0.7
273.07608	2.0
291.08661	3.3
293.06641	16.6
309.09796	4.1
353.08734	100.0
354.09033	3.5
393.11920	1.2
413.10745	1.5
515.14063	5.1
551.11725	30.8
552.12018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73896	0.1
55.23867	0.2
59.01381	0.4
61.98826	100.0
62.85400	0.2
67.13121	0.2
69.42667	0.4
69.43086	0.7
75.00861	0.2
81.33785	0.1
85.02978	0.2
96.96025	0.4
101.02404	0.2
113.02471	0.2
114.05614	0.3
129.51514	0.1
135.04514	1.8
163.07671	0.2
165.34308	0.1
173.04532	0.3
175.03983	0.2
179.03604	0.1
182.02783	0.2
191.05663	0.5
206.61171	0.2
263.09290	0.2
297.09943	0.2
307.08185	0.2
376.23105	0.3
414.19934	0.2
469.13577	0.8
515.14001	0.3
551.11707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91949	0.3
55.01884	0.4
57.03440	0.5
58.93416	0.3
59.01377	5.5
60.99302	2.9
65.00295	0.6
71.01392	3.8
72.99294	3.2
73.02927	0.9
73.28766	0.3
75.00866	1.3
78.64056	0.4
78.99381	0.4
82.95449	0.4
83.01381	0.6
85.02948	4.2
87.00880	4.0
88.04034	0.7
88.98803	13.7
89.02453	2.2
93.03455	1.0
95.01363	0.7
96.96014	1.5
98.20771	0.8
99.00887	1.7
101.02448	1.4
103.00360	0.5
107.01369	0.9
109.02953	0.8
113.02459	2.7
115.00360	0.6
117.01937	0.5
119.05120	0.4
121.02951	0.8
125.02488	0.5
129.01906	0.5
132.02182	0.5
133.02950	4.4
134.03720	4.6
135.04529	0.7
137.02455	1.1
149.02396	1.2
149.06044	0.8
151.00359	3.2
157.59006	0.4
162.03169	1.1
173.04524	2.5
175.02571	0.8
175.04001	2.0
177.05515	0.9
178.02731	2.7
189.05463	0.4
191.05576	1.8
192.04228	1.4
193.05048	5.6
199.03989	1.7
201.01958	0.4
209.11790	1.2
213.05640	0.8
217.05028	0.9
227.12852	0.5
229.05104	0.6
241.04976	0.8
243.02945	0.7
285.04028	100.0
286.04352	3.6
297.11203	0.6
327.05072	1.4
327.12698	0.5
353.10159	0.6
357.06113	1.2
461.07227	43.7
462.07361	1.7
490.30148	0.8
508.31171	0.6
522.29340	0.7
550.25592	0.5
551.16833	4.7
551.25391	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	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01381	100.0
59.52892	0.7
60.01705	2.4
61.01836	0.7
61.98825	6.5
65.39941	0.7
71.01379	9.9
73.02949	3.0
75.00887	0.7
78.95922	1.3
83.01380	1.5
84.98710	0.9
85.02944	6.9
87.00866	1.3
89.02439	1.8
93.03445	2.7
95.01373	1.2
96.95998	2.2
99.00871	1.3
101.02460	5.8
112.15589	0.8
113.02483	4.2
113.03090	0.8
125.02452	1.0
135.04442	1.0
137.02502	0.8
148.12959	0.8
152.99590	2.0
161.04562	1.4
173.04544	4.8
179.03458	1.0
191.05548	2.2
199.74081	0.9
253.18048	1.1
445.31747	19.4
446.32114	1.3
463.32806	9.5
465.06387	0.8
489.33722	6.8
505.34003	1.8
507.34683	3.6
549.19836	1.1
549.33185	1.8
549.89813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24259	0.2
50.27567	0.2
55.01870	0.9
56.80116	0.2
57.03448	1.8
58.00598	0.5
59.01378	100.0
60.01720	0.6
61.98817	1.0
65.21036	0.2
69.03462	0.5
70.88371	0.3
71.01380	16.6
72.99310	0.6
73.02945	4.5
74.02486	0.2
75.00871	0.6
78.95908	0.3
82.95406	0.2
83.01390	3.1
84.02194	0.2
85.02950	10.1
86.00115	0.5
87.00870	1.1
89.02439	2.7
93.03467	0.6
95.01382	2.0
96.96019	1.2
97.02944	0.9
98.95575	0.2
99.00877	2.3
101.02440	8.0
101.03107	0.4
109.02975	0.2
111.00889	0.8
112.01662	0.4
113.02447	10.6
115.04014	0.4
115.92046	0.3
116.92857	0.4
119.03513	0.7
119.05025	0.2
121.02908	0.4
125.02439	1.5
135.04552	0.8
137.06100	0.6
143.03491	2.0
152.99562	0.2
158.51715	0.2
159.02977	0.6
161.04546	4.0
167.85757	0.2
171.13942	0.2
173.04572	1.2
181.05055	2.0
185.15456	0.3
187.07623	0.2
191.05597	1.4
197.15428	0.3
206.38486	0.2
213.18626	0.5
215.07196	0.3
217.74712	0.2
240.55125	0.2
269.11798	0.3
299.25928	1.6
309.14871	0.8
327.15930	3.0
327.28925	0.4
328.16342	0.3
343.10440	0.3
345.30090	4.1
387.31064	0.3
441.32257	0.4
447.22458	0.4
459.33136	0.5
489.34320	57.9
490.34570	4.0
505.28256	0.3
507.35352	26.0
508.35574	2.1
549.19672	0.6
549.36615	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	549.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.2
59.01382	14.0
59.90540	0.5
61.98825	2.9
69.51785	1.5
69.52197	1.9
71.01378	2.9
76.29571	0.6
84.35622	0.5
85.25272	0.7
89.02462	2.2
89.58088	0.5
90.77789	0.5
96.96017	1.7
101.02448	2.5
103.84276	0.5
113.02428	1.0
115.66472	0.5
119.03514	0.8
121.03018	0.6
127.66785	0.5
129.66235	0.6
130.96548	0.6
152.99571	0.7
221.77872	0.6
235.08168	1.7
244.59964	0.7
253.09296	13.3
253.21736	100.0
254.22015	2.9
277.21713	1.0
295.19162	0.8
489.30710	0.9
549.28320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	6.0
71.01380	11.4
73.02950	3.2
78.95889	1.1
83.01389	2.4
85.02948	6.9
87.00896	1.3
93.03438	1.5
95.01394	1.5
95.29946	0.9
96.96005	3.1
97.02972	1.2
97.06561	1.1
98.19893	1.8
99.00876	1.1
101.02431	4.8
113.02439	4.9
129.76102	1.0
152.99570	1.1
159.87401	1.1
161.04530	1.9
173.04555	2.4
177.01826	1.1
189.44235	0.9
191.05637	1.4
253.18002	3.2
301.27289	1.2
445.31668	26.6
463.32697	15.7
547.25000	1.2
549.19678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60283	2.2
57.34943	2.2
59.01379	100.0
71.01380	43.1
71.55470	2.2
72.99303	3.0
73.02942	26.9
75.00842	2.6
83.01379	4.8
85.02956	19.0
88.21859	2.0
89.02441	44.8
93.03436	3.8
95.01356	3.1
96.96006	34.5
98.95579	4.4
99.00880	86.6
101.02423	19.2
113.02452	22.8
119.03520	6.6
121.38728	2.4
125.02403	6.4
131.03535	14.8
149.04547	41.7
150.51625	2.2
155.03545	4.1
161.04584	12.2
173.04494	5.3
191.01920	3.2
191.05623	47.0
203.05637	17.9
233.06670	8.8
245.65663	2.5
328.91052	2.6
373.18677	3.6
463.21973	10.2
474.04486	2.4
505.22861	55.4
549.21808	5.1
549.29309	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66201	5.7
57.53984	6.2
59.01375	10.0
61.98540	6.3
61.98829	100.0
62.90893	4.9
67.90344	5.1
69.24104	54.5
74.29125	5.6
93.82716	5.7
152.99557	8.9
156.25623	5.4
169.12296	10.6
172.86220	5.0
229.14432	9.2
241.18036	7.0
251.20140	11.6
252.20488	8.8
253.09146	7.6
253.20753	11.4
277.21619	9.7
283.19067	10.3
404.11047	6.8
436.13235	6.5
549.28241	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	549.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
64.95585	0.1
71.01381	0.2
72.99316	0.1
75.00875	0.1
78.89440	0.1
78.95909	0.2
79.95736	2.3
88.98822	0.1
96.96012	100.0
97.95966	0.2
98.19904	0.2
110.25131	0.1
113.02446	0.1
116.92836	0.5
173.04527	0.3
191.05437	0.1
230.13115	0.1
549.21796	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	96.9
61.98817	2.8
69.32693	14.4
71.01006	3.1
71.01383	47.7
72.99327	3.3
73.02952	39.2
83.01389	5.4
85.02959	11.7
87.00890	2.9
89.02449	50.1
93.03452	4.4
95.01372	3.1
96.96012	17.3
98.95557	2.4
99.00883	100.0
101.02450	24.8
103.00370	2.5
105.01944	2.3
113.02454	19.5
115.37270	1.6
115.92068	3.5
119.03510	8.0
119.05020	2.4
119.81949	1.7
122.03730	2.1
123.76877	1.7
125.02444	4.4
131.03491	12.3
135.04529	3.6
136.01657	6.3
137.02499	3.1
143.03468	5.7
149.04572	42.3
151.00372	2.4
151.04015	9.1
155.03516	5.0
156.06932	1.6
161.04559	9.9
166.02759	10.8
173.04567	6.8
179.05588	3.2
181.05083	9.8
191.05620	42.4
203.05598	18.8
233.06645	7.1
272.99146	1.6
281.38513	1.9
305.25662	2.3
348.07037	1.7
375.20392	2.3
387.10205	1.8
387.14597	26.1
445.20581	3.3
463.21689	12.9
505.22845	31.9
507.28311	2.2
538.29095	2.0
549.29028	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	549.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34440	1.7
57.01735	2.2
57.03442	3.3
59.01373	100.0
61.98819	9.8
69.03443	2.2
69.63345	2.0
70.70071	4.5
70.70393	1.8
71.01376	47.9
72.99303	8.2
73.02948	16.7
75.00848	2.0
82.95418	2.5
83.01391	6.7
83.05003	2.2
85.02933	18.4
87.00860	7.4
88.98797	4.4
89.02437	42.7
93.03458	11.2
94.03723	1.8
95.01392	2.8
96.96011	42.2
97.02940	2.6
97.80467	1.8
98.95582	7.8
99.00884	22.0
101.02439	29.4
111.00924	2.1
111.04514	4.1
113.02441	21.2
115.92078	4.8
119.03517	13.7
119.05029	3.5
125.09705	2.2
129.01970	3.0
131.03494	5.2
133.02951	4.0
133.38229	2.0
134.03761	2.1
135.04477	4.5
136.01660	19.5
137.02440	6.5
143.03455	3.8
147.04509	1.9
149.04475	10.1
151.00340	6.2
151.04004	32.1
155.03548	2.8
160.01630	4.1
161.04553	6.8
163.04077	2.9
166.02666	15.0
173.04539	26.3
174.04842	5.4
177.01834	3.2
177.05551	2.3
179.03464	3.4
179.05568	5.6
179.07054	3.6
181.05035	19.1
181.84993	1.8
191.05624	19.3
193.05026	2.4
203.05559	2.1
240.07857	2.9
243.06589	2.2
268.07394	8.9
269.04382	3.1
280.07309	6.9
283.09711	5.4
290.36847	2.3
293.08279	2.7
296.06781	6.7
308.06854	10.4
309.07648	8.3
321.07858	2.2
322.08444	6.3
323.09192	17.5
324.06332	7.6
324.09909	5.9
337.09988	2.0
338.11514	5.4
339.04587	3.0
339.08694	58.6
340.09042	3.2
353.10297	4.3
354.10941	15.9
357.09653	4.6
369.13409	86.9
370.13666	6.2
372.12042	4.5
375.19788	5.2
387.14468	63.5
388.14850	2.8
429.24786	2.4
463.21906	5.8
489.28333	5.9
505.23010	8.2
507.29117	2.2
549.29462	67.2
550.31677	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	549.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77807	1.1
57.03447	1.6
59.01377	25.2
61.98824	4.8
65.00313	4.5
70.67883	2.2
70.68275	2.4
71.01379	11.9
72.99313	1.5
73.02940	5.2
75.63564	1.0
79.95734	1.0
83.01392	5.7
85.02923	7.5
87.00863	2.8
89.02420	3.6
90.59875	1.0
93.03438	5.7
96.96010	21.1
97.06564	1.5
98.60782	1.0
98.95586	8.5
98.96439	1.7
99.92549	1.3
101.02423	6.5
107.01389	9.7
108.02163	3.6
109.02936	1.4
111.00879	1.6
111.04522	2.5
113.02472	5.1
115.92066	13.4
119.03558	1.6
119.04997	3.6
119.87701	1.0
123.04520	1.6
125.02412	2.1
133.02827	1.4
134.03757	19.4
135.04547	2.0
136.01593	1.1
136.04025	1.2
137.02353	1.0
149.06065	10.4
151.00360	33.2
155.03424	2.5
156.96352	1.0
163.03952	2.2
163.22241	1.1
164.01147	3.4
165.01900	2.5
173.04564	12.0
174.03204	1.2
177.01903	4.8
178.02713	1.0
179.03470	1.8
186.66409	1.0
191.05576	12.8
196.00105	1.8
210.97014	2.0
283.19058	1.7
286.04718	2.1
301.07150	100.0
301.20163	1.5
302.04346	1.0
302.07483	4.5
343.08194	3.1
343.24426	1.3
374.06018	2.3
375.27490	11.3
429.24496	2.1
440.12747	1.9
463.25455	5.2
467.15167	1.5
505.26508	36.7
506.26938	1.5
513.29535	3.9
549.33716	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	549.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72473	0.9
59.01379	6.5
61.98827	100.0
67.01889	1.3
71.01389	6.1
71.55408	1.3
72.99316	1.8
75.00870	9.6
81.83131	1.0
83.01387	12.1
85.02972	2.4
87.00879	1.4
89.02445	4.1
93.03463	1.7
96.96004	8.0
99.00873	4.3
101.02427	2.8
108.02169	1.8
111.00883	9.6
113.02421	1.6
115.00374	5.6
121.02972	1.4
123.04493	3.8
129.01915	2.0
131.05034	2.5
134.03725	4.7
135.03030	2.8
137.02443	2.4
139.00363	20.1
147.04506	2.8
148.05293	29.4
149.06033	4.3
151.00356	1.1
156.00681	2.4
157.00169	1.7
157.01407	18.2
159.04456	1.1
160.01662	1.3
160.05260	1.1
161.02434	3.3
162.03255	5.1
163.04030	1.5
163.07635	15.4
164.04747	1.7
165.01944	1.7
173.04582	1.8
173.06015	1.8
175.02557	2.3
175.03986	6.5
176.04767	1.8
177.05576	10.5
179.07083	1.4
186.06712	1.3
187.04066	2.0
188.04781	2.3
189.05479	2.4
191.05603	3.7
192.04260	1.8
194.02211	1.6
201.05545	2.9
202.06311	3.1
203.03516	1.3
204.04321	1.7
207.06589	21.1
212.04861	1.4
217.05032	4.3
217.08669	4.0
218.05750	1.3
219.06619	2.5
223.06134	2.0
230.05922	3.3
232.03798	1.9
233.08090	3.3
245.04495	2.5
245.08180	9.3
247.06105	6.7
251.05580	39.5
258.01758	1.6
259.06061	1.3
261.04092	1.0
261.07419	2.2
273.04037	11.2
277.10648	1.4
288.06418	1.7
289.07129	5.6
291.05072	12.0
305.06625	3.1
307.08218	3.6
320.17896	1.0
333.06128	48.2
351.07172	15.0
395.09494	1.7
413.10831	19.6
425.22910	1.1
451.12622	2.3
453.09906	1.9
469.13342	1.6
495.11411	63.6
496.11462	3.5
513.12640	3.1
534.55371	1.1
540.67920	1.1
549.10162	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	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.71399	0.1
57.03449	1.2
58.00586	0.4
58.70469	0.1
59.01380	100.0
60.01715	0.5
61.98829	0.9
67.01894	0.4
68.99554	0.1
69.03462	0.5
69.79048	0.7
71.01383	18.4
71.05020	0.4
72.99303	0.6
73.02947	4.8
75.00877	0.3
78.18395	0.1
81.03470	0.2
83.01389	2.7
83.05049	0.1
84.02178	0.2
85.02952	9.6
86.00114	0.3
87.00880	1.5
89.02449	3.7
93.03440	0.7
95.01385	1.7
96.96013	2.0
97.02951	0.9
97.06577	0.2
99.00886	2.6
99.04491	0.2
101.02446	10.2
111.00903	0.8
111.04561	0.2
112.01688	0.2
112.98605	0.1
113.02452	10.3
114.02800	0.2
115.03978	0.3
119.03486	1.1
121.10236	1.8
124.01665	0.4
125.02425	1.2
129.01953	0.5
131.03560	0.2
135.04514	1.3
137.54202	0.1
141.01984	0.2
143.03494	1.8
149.13324	0.2
157.12370	0.2
159.02985	1.4
159.04326	0.2
161.04553	7.5
171.13947	0.2
173.04541	1.1
174.04756	0.1
177.01984	0.2
178.43596	0.1
179.03506	0.7
179.05600	0.4
185.15488	1.1
186.06860	0.2
187.07674	0.2
191.05585	0.7
192.05948	0.2
213.18547	0.1
214.06293	0.2
215.06914	0.3
231.10144	0.3
269.21109	0.5
275.09262	0.2
287.22272	0.2
313.27438	0.2
319.17709	0.1
325.27460	0.4
329.19617	1.4
329.23315	0.8
333.19150	0.2
343.28491	1.7
347.20737	2.1
367.28589	0.1
373.16489	0.6
413.28796	0.2
427.30713	0.2
439.30576	0.1
450.04800	0.2
451.30219	0.2
457.31628	0.5
469.31769	0.6
487.32755	40.1
488.33096	2.5
503.28360	0.3
505.33823	20.0
506.34225	1.1
547.21692	0.3
547.35187	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01377	95.6
61.98832	9.1
67.01890	2.0
69.03458	0.8
71.01379	9.7
71.56329	0.6
72.99339	0.6
73.02958	2.0
79.95730	0.8
81.03458	1.6
83.01408	1.3
83.05013	1.6
85.02949	5.3
87.00883	8.1
89.02459	2.2
93.03453	12.7
95.01389	0.7
96.96007	20.3
97.02940	0.7
97.06593	4.4
99.00870	1.4
101.02435	4.4
108.90878	0.6
109.02930	0.9
111.04500	6.1
113.02461	4.1
119.05077	0.8
125.02444	0.9
127.03992	1.2
129.01926	0.8
134.03711	1.6
135.04504	5.7
137.02452	2.0
155.03510	8.0
161.04555	2.8
162.98390	0.7
173.04539	35.1
174.04884	1.8
174.35721	0.7
175.05138	0.8
177.01926	3.0
178.02385	0.8
178.20346	0.7
179.03506	1.6
179.07121	1.0
187.07460	1.0
191.05591	8.1
192.05954	1.1
201.05782	0.6
203.07199	0.8
214.06331	1.4
216.07507	0.6
230.09251	0.7
231.10251	2.6
269.21191	48.7
270.21500	1.9
275.09219	1.3
287.22269	18.3
311.16159	0.9
311.22086	1.1
329.23300	100.0
330.23669	4.9
372.15579	0.9
373.16617	8.2
401.35571	0.7
461.27667	0.9
487.32864	11.9
503.28598	26.5
504.28537	2.6
505.34094	4.7
547.21259	2.1
547.33124	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	547.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.9
61.98834	9.5
69.51507	3.4
69.51923	1.9
71.01388	3.3
73.02967	1.1
76.32257	0.7
89.02451	2.3
96.96017	1.4
101.02427	3.2
112.98528	0.7
113.02427	1.0
125.02482	0.9
161.04541	1.6
235.08232	1.7
251.20152	100.0
252.20479	3.3
253.09273	15.3
323.14114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98597	0.8
53.37504	0.8
58.68987	0.8
61.98822	2.0
62.96394	0.9
69.98116	1.6
69.98526	2.6
71.01380	3.7
78.95895	89.3
85.86232	1.0
96.95998	2.8
99.92579	24.3
100.92612	0.9
100.93358	0.9
110.98531	17.5
112.91876	1.0
115.74729	0.7
115.92072	17.7
116.92092	1.3
116.92854	17.8
116.95908	0.9
117.93600	2.0
150.98013	2.6
151.01671	1.3
155.95215	1.0
162.88866	1.2
163.89674	2.4
164.99588	6.1
167.01132	6.3
178.88409	28.4
179.89223	30.2
180.90021	15.8
181.90724	2.7
193.90753	40.5
194.87918	4.3
194.91554	15.0
196.89471	79.4
197.89528	1.7
210.90987	8.5
235.91792	1.9
236.92426	1.8
238.50168	0.8
248.92690	4.8
249.93307	4.6
250.94267	4.1
252.92041	3.3
265.92667	1.1
266.93640	5.4
267.94360	2.4
279.23218	8.0
280.23462	1.1
379.15573	1.8
379.28488	7.0
399.63910	0.9
499.15210	2.0
529.16559	15.2
543.14496	7.0
547.17639	100.0
548.17944	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	546.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01382	66.2
60.01714	1.1
61.98832	100.0
71.01389	7.1
71.56342	0.7
73.02951	1.6
83.01385	1.0
83.05013	0.5
85.02967	4.1
87.00890	3.6
87.34520	0.5
89.02463	1.3
89.03970	0.5
93.03477	2.4
96.96015	16.1
97.06600	0.5
98.95612	0.8
99.00925	1.1
101.02443	4.8
106.95113	0.6
109.02958	0.7
111.04511	0.6
113.02448	2.5
116.92875	1.8
117.73563	0.5
117.92889	0.6
133.02968	1.1
134.03622	0.5
135.04543	1.6
137.02451	1.1
155.03571	0.6
159.03049	0.9
161.04556	1.9
173.04556	6.5
174.04854	1.0
177.01933	12.3
178.02248	5.5
186.06972	0.9
187.07671	0.7
191.05600	7.6
191.07175	0.8
192.06007	1.3
207.10849	0.5
214.06374	1.1
215.06892	0.9
229.08821	0.8
230.09164	1.0
253.09029	0.7
300.58957	0.5
309.20840	0.7
310.21103	0.9
323.21100	0.6
354.14401	1.3
371.15118	1.0
372.15451	2.2
373.16260	0.6
379.21588	0.6
397.22336	3.9
439.23352	7.9
450.04715	0.6
485.31363	1.1
486.31558	2.1
502.17923	0.7
503.32880	1.1
504.32562	0.9
512.53381	0.5
546.20068	2.0
546.31085	0.8
547.31207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42796	0.2
55.01873	0.8
57.03440	1.6
58.00592	1.0
59.01378	100.0
59.16343	0.2
60.01723	0.4
60.99303	0.5
61.98835	1.8
67.01883	1.4
69.03457	0.8
70.51080	0.7
71.01381	13.4
71.05020	1.7
72.99327	0.6
73.02953	3.8
73.93686	0.2
81.03464	0.8
83.01390	2.6
83.05046	0.8
85.02951	7.7
85.06622	0.5
87.00875	10.9
89.02444	3.1
93.03458	7.9
94.03828	0.2
95.01390	1.4
96.96014	1.1
97.02934	1.7
97.06602	0.6
99.00881	1.8
101.02444	9.6
101.71173	0.2
109.02973	0.6
109.06664	0.3
111.00915	0.5
111.04521	2.7
111.08204	0.5
113.02447	7.1
113.09747	0.3
115.04042	0.3
117.03481	0.2
119.03539	0.7
121.10236	0.8
122.35043	0.2
125.02468	0.9
125.09723	0.3
125.37371	0.2
127.04019	0.7
129.01958	0.7
130.04384	0.2
131.74731	0.2
134.03758	0.3
135.04546	0.5
136.01653	0.3
137.02478	0.8
137.09717	0.4
143.03482	1.7
145.02943	0.3
150.77205	0.2
154.02740	0.4
155.03525	2.0
155.04674	0.3
158.03751	0.5
159.03036	0.7
159.04533	1.0
161.04553	7.1
161.05879	0.5
171.03119	0.4
171.04539	0.5
171.10269	1.5
171.13928	0.3
172.05363	0.9
173.04559	17.3
173.05991	1.2
174.04950	0.4
174.06924	0.8
177.01965	0.8
179.03712	0.3
179.05688	0.5
182.03769	0.8
183.04564	0.3
183.13945	0.8
185.06177	0.4
185.11862	0.4
185.15540	0.8
186.06860	3.8
187.04044	0.3
187.07635	3.3
189.09346	0.5
191.05608	14.5
192.06039	0.3
195.13910	0.4
197.11861	0.4
199.04147	0.4
200.04738	1.9
200.08366	0.4
201.05594	2.5
201.09239	2.5
202.06403	0.2
209.11848	0.4
211.07681	1.6
211.13399	2.7
211.16975	0.5
212.08386	0.4
213.09207	0.3
214.06334	7.2
215.07106	7.8
216.07706	0.3
225.11377	0.5
225.18768	0.2
229.08669	7.3
230.09348	2.1
232.03787	0.2
233.06561	1.6
245.04636	0.3
251.16594	0.9
251.20094	0.5
253.09241	4.0
254.09486	0.3
255.06760	0.3
256.07333	1.0
263.20346	0.2
273.07611	0.3
273.18909	0.3
274.08417	1.6
281.25076	0.4
283.13486	0.4
289.18207	0.5
290.18463	0.4
291.19638	4.7
291.22574	0.3
293.24976	0.6
301.56531	0.2
305.24957	0.6
309.15262	1.4
309.20679	7.2
310.21188	0.4
311.12729	1.3
311.25906	1.5
323.26041	0.4
325.27502	1.1
327.16193	0.7
339.25699	0.4
341.26962	7.9
342.27365	0.4
353.14166	0.7
365.26947	0.6
371.14990	6.8
371.19519	0.4
372.15533	0.3
377.27139	0.5
383.28140	0.6
407.28461	0.3
413.05600	0.2
437.29083	0.4
467.30453	0.6
485.31146	17.5
486.31885	1.0
503.32230	5.8
504.32782	0.4
527.28912	0.8
544.93610	0.3
545.20471	3.6
545.28729	0.5
546.20990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70115	0.3
52.39093	0.2
55.01884	0.4
57.03445	1.0
58.00599	0.5
59.01374	9.8
66.91850	0.2
67.01905	0.6
69.03469	1.6
70.21089	0.3
71.01378	7.3
71.05013	0.5
71.15957	0.3
71.16281	0.3
72.99314	0.4
73.02949	1.3
79.64632	0.2
81.03452	0.5
83.01380	0.8
83.05025	0.4
85.02944	2.6
86.06526	0.3
87.00871	1.5
89.02437	7.6
91.04016	0.2
93.03453	2.1
95.01395	0.6
96.95998	0.3
97.02945	6.6
97.06595	0.9
99.00885	0.4
100.43774	0.2
101.02435	7.3
102.63258	0.3
109.06578	0.3
111.08153	2.2
113.02448	4.1
113.09727	0.4
115.07652	0.3
119.03490	2.1
119.08638	0.7
123.04507	0.5
123.08139	0.4
125.02444	0.3
125.06110	0.5
125.09715	1.4
127.11272	0.2
135.08157	0.3
137.09709	1.9
139.11249	0.4
143.03520	0.6
151.11249	0.4
153.12845	0.4
161.04553	3.5
163.11253	2.3
165.12823	4.9
166.09903	0.3
167.10741	0.5
169.12320	0.9
171.10275	5.5
173.04559	4.4
177.12833	0.4
179.05612	1.8
179.14436	1.0
181.12308	1.3
183.13960	1.2
187.07567	0.6
191.05591	1.2
191.14442	0.3
193.12292	1.1
193.15964	0.8
195.13908	0.5
197.11821	8.2
198.12062	0.4
199.13431	0.5
201.05450	0.3
201.09021	0.3
207.10207	0.6
209.11836	2.5
211.13336	3.5
215.07062	0.5
221.11862	0.5
223.13408	1.2
225.11398	0.4
225.14914	1.1
227.12874	3.5
229.08696	0.3
235.08211	0.9
247.20644	3.9
253.09265	36.2
254.09691	0.6
263.20105	0.9
273.18628	1.6
289.18402	0.3
291.19641	41.5
292.19962	1.7
309.20679	100.0
310.21030	4.0
371.14789	0.4
545.29535	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20939	0.3
55.01880	1.0
57.03448	2.2
58.00595	0.9
59.01376	20.4
60.99296	0.4
61.98809	0.8
67.01886	2.2
69.03465	1.7
69.19942	3.3
71.01380	10.0
71.05012	2.0
73.02933	2.6
80.87037	0.4
81.03461	0.9
83.01395	1.2
83.05028	2.5
85.02956	4.5
85.06577	0.9
87.00869	10.5
87.01376	0.7
87.04496	0.5
89.02438	9.3
91.03993	0.5
93.03455	11.2
93.04017	0.8
95.01409	0.7
95.05014	0.4
96.96022	1.5
97.02942	4.6
97.06578	1.6
99.00880	0.5
101.02438	9.9
109.02924	0.5
109.06613	1.3
111.04517	3.2
111.08157	6.9
113.02439	5.4
115.04008	0.4
119.03517	2.5
119.08640	0.4
121.10236	0.5
125.02476	0.5
125.09737	1.0
127.04081	0.4
127.07654	1.0
129.01971	0.7
131.03542	0.5
133.05026	0.5
134.03766	0.5
135.04489	0.9
137.02441	1.1
137.06911	0.3
137.09694	1.9
143.03499	1.3
149.04558	0.4
151.11212	0.4
153.12874	0.5
154.02594	0.4
155.03493	2.2
158.03740	0.6
159.04521	0.5
161.04544	5.5
163.11157	0.4
167.10805	0.4
167.14320	0.5
169.12335	2.6
171.04539	0.5
171.10275	4.8
172.05333	0.9
173.04541	30.8
173.05876	1.2
174.04861	0.6
174.06819	0.6
177.02077	0.4
177.12721	0.7
179.03482	1.0
179.05582	2.4
179.10789	0.5
179.14410	0.6
181.12343	1.7
182.03729	1.1
183.13872	1.5
185.11847	1.5
186.06882	2.8
187.07622	1.9
191.05600	11.7
191.07326	0.6
193.12234	0.7
195.13898	6.5
197.11819	25.8
198.12114	0.6
199.03937	0.4
199.13406	1.7
200.04764	1.7
201.05611	1.7
201.09204	1.6
205.12181	0.4
207.10205	0.4
209.11829	0.5
209.15337	0.4
211.07661	2.1
211.13380	14.5
212.08443	0.4
214.06305	5.6
215.07108	5.3
217.16019	0.6
221.11992	0.5
221.15424	4.4
223.13397	2.2
223.16977	0.8
227.12852	0.4
229.08681	5.1
229.19568	0.6
230.09390	1.3
233.06659	1.4
233.15437	1.2
235.08235	0.7
235.17160	0.5
239.12840	0.5
239.16525	1.5
247.20668	1.0
251.16486	2.5
253.09276	48.4
254.09630	1.2
256.07404	0.6
260.57724	0.4
263.20084	2.9
265.18097	0.5
273.18643	2.0
274.08395	1.0
285.04053	0.7
291.19638	35.2
292.20044	1.5
309.20688	100.0
310.20959	3.7
311.12827	1.1
327.15979	0.6
341.26892	0.4
353.07413	0.4
371.15012	6.6
372.15613	0.5
373.02048	0.3
388.89777	0.4
485.30542	1.2
503.31500	0.7
527.28583	0.8
532.79004	0.5
545.20239	2.8
545.29401	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
57.03440	1.8
58.00587	1.3
59.01381	26.4
60.99308	0.5
61.98824	0.9
67.01881	1.6
69.03451	2.0
69.89021	1.8
71.01382	11.5
71.05037	0.5
72.99320	0.8
73.02943	2.8
75.00258	0.5
79.29230	0.5
81.03459	1.3
83.01367	1.6
83.05019	1.6
83.18492	0.4
85.02950	4.7
87.00877	14.0
87.04548	0.4
89.02448	10.0
93.02865	0.7
93.03460	12.4
95.01383	0.9
96.96020	0.6
97.02959	3.2
97.06587	0.9
99.00867	1.4
99.04528	0.7
101.02445	10.9
109.02916	0.8
109.06565	1.0
111.04524	3.2
111.08156	9.9
113.02460	4.9
119.03502	2.6
121.10298	0.9
125.02463	0.6
125.09725	1.3
127.03970	0.8
127.07665	1.1
131.03499	0.7
135.04529	0.9
137.02423	1.3
137.09712	0.9
143.03503	1.3
151.11264	0.7
153.09274	0.7
153.12779	0.9
155.03488	1.9
159.04506	0.7
161.04576	5.7
166.42528	0.4
169.12357	4.0
171.10246	4.4
172.05281	0.6
173.04552	24.8
173.05956	1.2
174.06877	0.7
177.01932	0.6
179.03453	0.6
179.05663	1.5
179.10704	0.9
181.12302	1.2
182.03745	0.9
183.13907	2.9
185.06073	0.7
185.11783	0.8
186.06859	3.9
187.03984	0.5
187.07594	2.1
191.05611	19.0
193.12292	0.6
195.13899	3.2
197.11829	39.2
198.12123	0.9
199.04007	0.5
199.13417	3.3
200.04819	2.2
200.08372	0.6
201.05582	2.1
201.09216	1.5
209.11823	0.5
211.07742	2.6
211.13387	19.3
214.06328	5.8
215.07129	6.8
221.15469	1.3
223.13397	1.1
223.16988	2.3
227.12708	1.0
229.08688	5.7
230.09398	2.0
233.06694	1.5
233.15471	1.6
235.08267	0.7
237.97183	0.5
247.20634	0.8
251.16537	7.2
253.09286	49.6
254.09586	1.2
256.07407	0.9
263.20245	3.0
265.18210	0.9
273.18634	2.0
274.08459	1.1
291.19659	37.1
292.20050	1.2
295.01593	0.5
309.20706	100.0
310.21082	4.0
311.12964	1.9
371.14975	8.1
407.24515	0.5
485.30640	0.8
503.31873	0.7
527.28479	1.1
545.20251	3.7
545.29590	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86169	0.6
59.01374	19.7
61.63736	0.6
61.98812	2.4
71.01397	3.2
71.55968	1.0
79.97345	0.7
85.02924	0.9
87.00839	0.9
89.02429	3.6
96.96016	2.0
101.02437	3.0
113.02413	1.6
119.03522	1.0
135.04515	0.8
140.20918	0.8
142.79692	0.6
161.04498	0.8
165.17604	0.7
173.04472	1.2
190.91362	0.7
235.08249	3.3
249.18575	100.0
250.18896	2.5
253.09268	15.6
295.22968	1.3
300.50092	0.7
309.20776	1.7
311.12738	0.8
416.26990	0.7
417.12369	0.8
463.24792	1.9
485.32663	1.3
490.29633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03440	1.1
58.00599	0.7
59.01378	10.8
61.98819	0.3
67.01878	0.4
69.03453	2.2
69.19550	1.7
69.19978	0.6
71.01382	7.4
71.04978	0.4
72.99313	0.3
73.02958	1.1
80.02681	0.3
81.03458	0.5
83.01386	0.8
83.05025	1.0
85.02971	2.1
87.00881	1.8
87.04490	0.3
89.02448	7.4
91.04053	0.3
93.03457	1.2
95.01404	0.6
95.05011	0.5
97.02951	7.6
97.06576	0.8
101.02447	8.4
107.05035	0.5
109.06570	0.5
111.08151	3.1
113.02454	3.6
119.03494	2.5
119.08649	0.8
121.06543	0.2
121.10286	0.4
121.79425	0.3
123.04543	0.5
123.08150	0.7
125.02425	0.3
125.09727	1.9
127.07663	0.3
127.11259	0.4
131.03500	0.6
134.64590	0.2
135.08150	0.4
137.02426	0.4
137.09724	2.3
141.01733	0.4
141.12805	0.4
143.03459	0.5
147.11777	0.2
151.11259	0.5
153.09225	0.3
153.12793	0.3
154.02711	0.3
159.04475	0.3
161.04567	4.0
161.09766	0.2
162.10512	0.2
163.11270	1.9
165.09277	0.3
165.12852	4.7
166.09955	0.4
167.10777	0.3
169.12323	1.0
171.10280	5.9
172.05304	0.2
173.04568	3.2
175.11302	0.2
179.05632	1.3
179.10703	0.3
179.14423	0.9
181.12349	1.7
183.13878	1.1
185.11835	0.5
187.07625	0.6
191.05579	1.4
191.14337	0.5
193.12340	1.2
193.16008	1.1
196.83980	0.3
197.11827	12.8
198.12186	0.4
199.13390	0.7
201.05592	0.6
201.09126	0.4
205.16043	0.2
207.10172	0.7
209.11882	2.8
211.13374	3.5
214.06349	0.7
215.07129	1.3
219.17516	0.3
221.11818	0.5
223.13391	1.4
225.11317	0.3
225.14929	0.8
227.12883	4.3
229.08723	0.7
235.08192	0.5
245.19060	0.3
247.20671	4.3
249.14879	0.4
253.09279	36.7
254.09558	1.1
263.20175	0.8
265.17947	0.4
273.18689	2.2
279.23364	0.2
291.19659	44.0
292.20029	1.9
309.20712	100.0
310.21057	4.7
327.15961	0.3
371.14957	0.6
545.21509	0.2
545.29230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.8
59.01379	91.1
59.03128	1.3
61.98800	1.4
67.01885	3.2
69.03454	1.9
69.21897	15.1
71.01373	14.1
71.05029	1.3
73.02953	3.7
81.03484	2.3
81.16002	1.5
83.05027	6.9
83.27110	1.6
85.02953	10.9
85.36287	1.3
87.00874	100.0
89.02448	5.0
89.46439	1.4
93.03463	35.3
95.01330	1.7
96.95983	3.2
97.06578	1.5
101.02447	6.0
109.02909	2.8
111.04514	15.4
113.02435	5.8
118.72797	1.5
127.03996	4.3
129.01877	2.4
134.52533	1.4
135.04495	3.9
137.02441	4.4
154.02664	2.6
155.03499	13.5
155.04669	2.1
157.06653	1.5
158.03745	5.1
158.07324	3.5
159.04529	9.4
159.08067	1.8
161.04575	3.1
163.11276	1.8
171.03102	1.7
171.04488	4.1
172.05284	8.7
173.04573	69.8
173.06035	12.2
174.06905	10.7
174.08324	1.9
177.01917	4.5
179.03477	2.6
182.03729	5.8
185.06091	4.1
186.06854	33.8
187.03990	1.6
187.07623	23.3
189.09192	3.3
191.05608	69.3
195.04469	1.4
200.04762	15.8
201.05573	23.3
201.09212	22.5
202.06276	2.2
209.11674	2.1
211.07655	13.1
212.08313	3.2
213.09135	2.5
214.06343	70.1
215.07094	51.2
225.11388	2.1
229.05191	3.0
229.08679	58.5
230.09438	19.4
231.10170	3.1
233.06592	4.8
245.04308	1.7
245.08156	1.9
253.09172	3.0
255.06546	2.0
256.07382	9.7
273.07651	2.3
274.08405	15.7
283.13437	2.9
291.19678	1.8
309.11996	1.6
309.14825	8.2
309.20746	4.5
311.12860	15.7
317.15799	1.7
327.15906	6.3
341.27362	1.9
353.13885	4.0
371.14948	56.0
372.15536	3.8
449.29407	1.9
485.31299	14.9
503.32275	7.2
527.28748	2.5
545.20392	19.8
549.95276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.15019	1.6
61.98813	6.0
62.96398	1.7
64.71365	1.5
68.53610	1.3
71.01349	5.0
71.56551	2.8
74.40411	1.5
78.82098	1.7
78.95897	100.0
79.36711	1.7
96.96044	7.5
98.95588	5.5
99.92572	27.8
110.98533	17.3
115.92065	21.0
116.92844	14.9
133.31895	1.7
151.01654	3.8
152.99603	3.0
164.99571	6.3
167.01135	11.2
172.95352	1.7
173.04512	2.3
178.88409	25.7
179.89212	33.5
180.90039	17.5
181.90819	2.3
193.90768	46.7
193.92543	2.4
194.87874	2.4
194.91525	20.4
196.89468	93.1
197.89569	2.2
210.91066	8.5
241.53392	1.6
248.92625	3.8
249.93391	4.9
250.94287	7.5
251.94846	2.4
252.92212	3.3
266.93573	6.4
267.94199	2.3
277.21768	9.3
361.49637	1.6
382.73740	2.0
410.07346	1.6
527.15100	23.1
541.12805	10.0
545.16077	83.7
546.16254	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	545.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
60.23887	0.2
71.01374	0.3
71.54382	0.2
71.54746	0.2
75.31561	0.2
79.95738	2.4
87.00888	0.3
87.05666	0.4
96.06892	0.2
96.96015	100.0
99.00864	0.3
108.02178	0.9
109.02952	0.5
114.93358	0.2
124.04041	0.2
152.01138	1.3
153.01927	0.3
159.79730	0.2
167.95050	0.2
177.01913	0.2
191.05640	0.3
198.12486	0.2
208.97696	0.7
216.13605	0.2
224.00090	0.3
243.18199	0.3
243.91881	0.2
250.98717	0.4
262.98804	0.2
323.07761	0.3
335.00876	0.4
353.01910	0.5
414.03857	0.2
447.11499	2.1
485.06226	1.3
544.25751	1.0
545.08008	1.2
545.26501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91653	1.1
55.84540	0.9
59.01379	5.2
61.42894	1.3
61.98828	1.7
62.08950	1.2
69.03442	1.3
71.01372	1.8
71.50990	1.6
79.09468	1.1
85.02969	1.1
93.03451	4.5
95.01394	1.1
96.96013	4.5
99.00868	6.6
117.03440	2.5
119.05017	6.0
123.15728	1.1
131.05008	3.6
132.05772	5.8
133.02962	2.2
133.06613	8.5
141.01836	1.3
143.05028	1.9
145.06589	7.2
147.04536	15.5
149.06116	2.2
157.06587	3.8
158.03760	1.3
159.04544	3.7
160.05276	2.7
161.06073	5.3
163.07710	2.0
169.06598	5.1
170.88383	1.7
173.04669	1.9
173.05988	6.8
175.04024	4.4
175.07642	4.7
177.05557	4.1
187.03929	1.2
187.07666	18.8
189.05574	17.4
191.05606	1.7
191.07074	5.7
201.05566	19.3
203.03488	3.3
205.04971	6.5
217.00299	1.5
219.06618	13.5
221.04469	9.1
235.06100	1.7
261.07587	3.0
263.05569	17.0
279.08755	4.8
323.07684	100.0
324.08041	3.7
399.97360	1.3
485.13065	1.3
545.18597	2.0
545.25775	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	545.061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54365	0.2
57.03435	0.2
57.79628	0.2
59.01382	3.6
60.98227	0.2
61.98831	1.8
68.57092	0.2
71.01386	1.5
71.55721	0.2
71.56213	0.3
72.99305	0.2
73.02947	0.6
79.95737	2.8
81.03446	0.2
82.95402	0.2
83.01364	0.2
85.02957	0.9
87.00878	1.6
89.02449	1.1
93.03461	1.0
96.96014	100.0
97.95972	0.4
98.95599	4.4
98.96442	0.6
99.00879	1.5
99.92587	1.1
101.02459	0.8
111.00904	0.3
111.04504	0.5
111.08116	0.4
113.02464	1.3
114.72938	0.2
115.92070	1.5
116.92857	2.0
119.03520	0.3
119.05061	0.3
123.04478	0.2
129.01913	0.2
131.03525	0.2
135.04480	0.2
137.02457	0.4
149.04526	0.7
151.00383	0.5
155.03516	0.7
159.04529	0.2
161.04541	0.4
173.04544	3.2
173.08145	0.4
175.02357	0.2
191.05614	3.8
199.07648	0.2
203.05711	0.4
206.11192	0.2
210.99268	0.2
225.09239	0.4
227.10806	0.3
233.06621	0.3
239.10938	0.2
241.08693	0.2
243.13866	0.2
251.07164	0.3
253.08606	0.2
254.09430	0.3
255.10280	0.3
255.13956	0.4
256.93814	0.3
268.10822	0.2
269.04535	0.4
269.11771	0.3
271.05988	0.2
271.13370	0.4
274.95129	0.2
283.13419	0.7
298.12204	0.4
309.14792	0.4
311.12836	1.3
327.01743	0.5
327.09048	0.2
327.12384	0.4
327.16101	1.4
371.14996	5.3
425.11456	0.3
447.09589	0.2
467.02713	0.2
485.04205	0.3
485.23703	0.2
503.25195	0.7
544.99762	0.2
545.27209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98080	0.1
59.01378	0.4
60.66464	0.1
61.98830	1.6
69.58812	0.3
69.59215	0.7
71.01376	0.2
73.02973	0.2
79.95741	2.4
82.55119	0.1
87.87090	0.1
93.03461	0.3
96.96012	100.0
101.02433	0.2
132.83516	0.1
137.27824	0.1
149.02435	0.1
151.00346	0.1
159.04561	0.4
173.04639	0.7
191.05641	0.4
193.01376	0.3
299.05496	0.1
327.05078	0.6
353.06677	0.4
371.13440	0.2
381.06250	0.4
383.07761	0.3
411.07269	0.5
425.01901	0.2
447.09348	0.4
489.62097	0.2
501.10489	0.3
506.29431	0.2
545.09100	0.4
545.18842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01380	1.2
61.98829	0.8
64.25795	0.1
66.38113	0.1
67.19119	0.1
71.01381	0.8
71.15731	0.1
73.02932	0.2
75.00890	0.1
78.11068	0.1
78.95890	0.2
79.95734	2.5
80.96525	0.6
85.02924	0.2
87.00836	0.1
89.02487	0.1
93.03459	0.5
96.96009	100.0
97.95959	0.3
98.71157	0.1
99.04531	0.4
101.02422	0.3
109.02941	0.2
111.04530	0.2
113.02448	0.3
125.02394	0.1
129.31537	0.1
133.02954	0.2
133.28810	0.1
135.04489	0.1
152.99696	0.2
154.39969	0.1
154.86308	0.1
155.03546	0.2
173.04570	1.3
191.05675	0.9
209.11755	0.2
224.21686	0.1
225.00742	0.2
249.05869	0.1
260.57428	0.1
269.10187	0.2
284.03180	0.2
285.03900	0.4
323.10559	0.2
327.16013	0.2
371.14804	0.6
401.14499	0.5
431.75873	0.1
447.09369	0.4
485.17249	0.1
502.52716	0.1
527.18207	0.4
545.18726	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	543.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
58.00588	0.9
59.01377	100.0
61.98845	0.8
65.03966	1.0
65.81645	0.4
69.03449	0.7
69.37200	1.7
69.37621	2.7
71.01377	26.2
72.99321	1.4
73.02942	18.2
73.03352	0.8
82.95426	1.8
83.01389	5.6
85.02953	6.0
87.00874	1.5
87.04522	1.0
89.02438	18.2
93.03462	0.9
95.01403	2.1
96.96017	2.1
97.06606	0.6
98.19924	1.2
99.00896	1.0
101.02436	21.8
101.03107	1.2
111.04520	0.6
113.02443	19.5
117.07105	0.8
119.03498	7.5
119.08710	1.0
121.06581	0.7
125.02419	1.1
125.09734	0.9
128.42055	0.5
131.03485	2.4
133.02924	0.6
135.08121	2.4
143.03503	4.2
149.04547	2.7
161.04544	7.7
171.10260	5.2
173.04529	2.2
179.05606	9.1
185.11725	1.0
191.05647	0.8
196.49689	0.5
221.06549	0.8
227.07161	1.2
235.13443	1.0
253.09279	2.1
269.04581	1.8
284.03210	1.0
285.04092	1.2
289.18195	3.5
297.04111	3.1
298.04803	5.7
307.19165	3.6
313.03516	7.1
314.03601	0.9
325.14218	1.0
326.04291	0.8
339.25357	1.3
369.13400	1.3
423.10867	2.8
445.07571	0.9
446.08386	6.5
447.09027	1.1
453.11966	1.0
483.29532	3.0
501.30478	2.8
507.35403	1.0
525.27209	1.7
543.15381	2.5
543.33038	24.7
544.33466	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80047	0.5
57.03453	0.8
58.00606	0.7
59.01378	82.4
59.18036	0.4
61.98831	0.9
69.48658	3.0
71.01379	17.6
71.05009	2.6
72.99329	0.8
73.02935	2.1
75.56367	0.5
80.02667	0.5
81.03458	1.2
83.01393	1.4
83.05045	0.7
85.02955	2.7
87.00873	1.4
87.94409	0.4
89.02446	21.2
93.03481	2.6
95.01390	1.1
95.05038	1.1
96.95984	3.0
97.02958	0.8
97.06597	0.6
99.00877	0.8
101.01800	1.0
101.02443	10.9
106.04226	0.8
106.11622	0.4
109.02986	0.5
109.06586	6.8
111.04507	2.9
111.08154	1.1
113.02448	8.5
116.97256	0.5
119.03503	8.9
121.06595	0.8
123.08189	1.2
127.07646	1.6
129.42348	0.5
131.03485	1.1
135.08249	0.6
137.09732	1.0
143.03503	1.9
143.10822	1.2
145.06602	1.8
149.04523	0.8
149.09691	0.5
151.11279	0.5
161.04552	4.6
163.11382	0.5
167.10762	1.8
169.12476	0.5
171.10281	0.7
173.04556	4.1
179.05603	5.5
179.10822	1.0
180.09883	0.4
181.12434	0.8
188.15620	0.5
191.05609	1.6
191.14398	0.6
195.13875	2.9
199.07631	0.7
201.11107	0.4
225.11171	0.4
227.07071	2.1
228.07927	0.5
235.13341	1.1
245.19023	4.0
251.16685	0.6
253.09286	18.6
254.09818	0.5
255.02917	0.9
269.04538	2.2
271.16980	1.6
273.15002	0.9
287.16498	1.6
289.18079	100.0
290.18439	4.4
297.04031	1.4
298.04639	1.2
307.19159	6.1
325.03513	0.7
325.14441	1.1
369.13330	2.5
423.10626	1.8
446.08670	1.0
461.27985	0.5
483.29510	3.5
501.30453	1.6
525.27008	1.6
538.29974	0.5
543.14349	2.6
543.32831	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	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03441	1.9
58.00594	1.3
59.01376	100.0
60.01698	0.4
67.01869	0.3
69.03461	1.5
71.01377	30.9
71.05009	0.8
72.74992	0.3
72.99303	1.3
73.02943	8.4
81.03451	0.5
83.01378	4.7
83.05034	0.4
85.02946	10.6
86.00116	0.5
87.00879	3.1
87.04506	8.6
89.02441	14.3
93.03474	0.4
95.01388	3.3
95.05009	0.6
96.96003	1.6
97.02950	1.3
99.00884	3.2
101.02437	20.4
101.06071	7.5
101.29258	0.3
105.37485	0.3
111.00900	1.1
112.01695	0.8
113.02445	21.7
113.06102	0.5
119.03500	6.6
124.01711	0.5
125.02451	2.5
131.03470	0.7
143.03508	3.6
149.04532	0.5
159.02959	0.8
161.04541	9.5
163.14877	0.6
173.04535	1.1
178.04785	0.8
179.05632	3.6
185.67111	0.3
191.05652	0.8
191.14366	0.4
211.00252	0.4
215.18001	0.8
225.18591	0.4
293.21216	0.8
321.24191	0.7
325.14508	0.6
338.04962	0.4
339.25342	6.6
369.22870	2.3
381.26303	0.5
390.18069	0.4
395.24393	6.8
413.25510	2.8
435.27338	0.7
447.27322	1.0
465.28549	1.9
483.29584	42.7
484.30170	2.7
501.30664	31.0
502.31116	1.8
543.31415	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	543.2806
Annotation	Pharboside C
Peak:m/z	Relative Intensity
57.03440	2.3
58.24990	0.6
59.01375	14.7
59.30143	0.5
61.98809	3.2
66.33871	0.6
67.01894	0.7
69.03421	1.3
70.78686	1.4
71.01376	16.3
72.99310	4.2
73.02935	2.2
75.00870	14.1
83.01379	0.8
83.05004	0.8
85.02948	16.7
87.00877	5.6
89.02445	5.7
92.69159	0.6
93.03441	0.7
95.01383	5.2
96.96011	2.9
97.02936	1.1
97.06567	0.9
99.00877	7.8
101.02416	2.4
103.00357	2.8
109.06584	2.1
111.00856	1.0
111.08160	0.7
112.01678	0.7
113.02445	21.5
115.00362	1.9
117.01923	1.8
118.68057	0.7
125.09738	0.6
129.01944	1.5
151.11238	1.7
161.04485	1.0
163.11267	0.7
165.12827	1.9
167.10548	0.5
171.10277	2.5
173.04472	1.0
175.02423	2.6
181.12270	1.2
185.11801	1.5
191.05626	2.1
191.10756	1.0
191.14532	0.8
193.03462	0.8
195.13857	5.1
197.11792	0.7
205.07166	0.9
205.12129	1.0
207.10179	2.2
209.11819	4.9
211.13409	1.0
223.13245	3.0
225.11256	2.5
227.12794	0.8
231.05167	0.6
245.18996	1.0
249.06184	3.9
253.09258	5.8
263.20184	3.2
265.54608	0.6
267.07190	4.5
275.20114	1.8
279.04022	0.6
289.18076	2.9
293.21213	18.9
302.54202	0.6
307.19055	8.5
445.20517	1.8
499.28653	1.5
525.27338	3.6
543.28052	100.0
544.28381	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03439	0.5
58.00602	0.2
59.01377	16.7
59.81347	0.2
61.98821	0.4
66.09449	0.2
69.03461	0.4
69.20016	0.5
69.20427	1.6
71.01376	6.7
71.05013	1.9
72.99279	0.4
73.02946	1.4
80.02670	0.5
81.03469	0.7
83.01375	0.6
83.05008	1.0
85.02955	1.5
87.00857	0.8
89.02443	6.4
93.03435	0.8
95.01407	0.5
95.05031	1.1
96.96001	1.2
97.02917	0.3
97.06568	0.4
98.03736	0.6
99.00901	0.3
101.02436	5.8
104.02042	0.2
106.04196	0.5
107.05015	0.4
109.06589	7.4
111.04511	3.0
111.08172	1.3
112.05276	0.3
113.02453	3.0
119.03514	1.8
120.05811	0.3
121.06541	0.3
123.08134	0.9
125.02496	0.3
127.07655	1.6
131.03458	0.4
135.04492	0.2
135.08148	0.3
137.09694	0.8
141.09210	0.3
143.03491	0.4
143.10783	1.2
145.06593	1.7
149.09682	0.8
151.11292	0.6
152.20572	0.2
160.48537	0.2
161.04565	2.1
167.10774	1.5
169.12305	0.4
171.10312	0.4
173.04510	1.9
177.09251	0.3
177.12778	0.4
179.05580	1.6
179.10718	0.7
181.12300	0.5
191.05533	0.5
191.14319	0.4
191.33798	0.2
195.13890	3.6
207.17520	0.4
211.13446	0.2
213.05676	0.3
215.14349	0.3
217.15941	0.3
227.07094	0.6
227.18002	0.3
235.08215	0.8
235.13399	1.0
245.19090	4.8
249.14931	0.3
251.16507	0.6
253.09267	18.1
254.09589	0.6
255.02945	0.5
269.04504	0.8
271.17108	1.1
273.14874	0.3
283.02371	0.5
287.16510	1.5
289.18073	100.0
290.18414	4.6
297.04022	0.6
298.04724	0.7
307.19135	6.5
308.19736	0.2
325.03519	0.3
325.14355	0.7
369.13394	1.0
423.10864	0.7
446.08643	0.6
483.29532	0.6
501.30426	0.3
525.27026	1.0
543.14960	1.2
543.32056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03441	0.5
58.00583	0.3
59.01377	14.0
61.98814	0.6
67.01887	0.5
69.03442	0.5
69.20545	2.2
69.90476	0.2
71.01008	0.4
71.01381	6.4
71.05009	1.8
72.99319	0.3
73.02938	1.4
75.56586	0.2
79.95738	0.2
80.02657	0.5
81.03453	1.0
83.01376	0.8
83.05032	0.9
85.02953	2.1
87.00861	1.2
89.02441	4.6
93.03453	1.8
95.01377	0.7
95.05022	1.1
96.96001	1.8
97.02959	0.5
97.06578	0.7
98.03725	0.5
99.00884	0.8
101.02438	5.9
106.04240	0.8
109.05407	0.3
109.06583	6.9
111.04521	2.6
111.08161	0.7
113.02452	3.2
117.01130	0.2
119.03506	1.4
119.08633	0.3
121.02906	0.3
121.06575	0.5
121.10255	0.2
123.04446	0.3
123.08128	1.1
125.02419	0.5
125.09699	0.3
127.07652	1.3
131.11638	0.2
135.08168	0.5
135.11749	0.3
137.02391	0.4
137.09688	0.8
143.03467	0.6
143.10751	1.1
145.06575	1.2
149.09731	0.8
151.11273	0.7
155.03508	0.3
161.04559	2.6
161.09724	0.3
163.11278	0.7
167.10715	1.4
171.10222	0.9
173.04530	6.2
177.12825	0.7
179.05603	1.0
179.10771	1.0
181.12338	0.6
185.11745	0.5
191.05530	1.2
191.14417	0.6
193.12289	0.3
195.13870	2.5
197.11809	0.6
199.07602	0.4
200.08510	0.2
207.10240	0.4
209.11740	0.3
213.05621	0.2
225.11186	0.5
227.07047	0.5
228.07974	0.5
229.15755	0.3
233.15392	0.4
235.08202	0.5
235.13335	0.7
243.17534	0.4
245.19069	4.3
247.17081	0.4
249.15076	0.3
251.16537	0.5
253.09267	19.0
254.09685	0.5
255.02849	0.3
269.04535	0.4
271.16989	1.0
273.14972	0.4
283.02417	0.4
285.04062	0.2
287.16483	1.6
289.18069	100.0
290.18454	4.6
307.19122	7.6
324.13629	0.3
325.14505	1.0
339.16080	0.7
339.25290	0.5
369.13544	0.4
369.22531	0.5
419.71262	0.2
423.10712	0.3
446.08383	0.5
483.29636	2.5
499.25650	0.3
501.30688	1.1
525.27173	1.4
543.14661	0.5
543.28461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.6
61.98825	27.6
64.95342	2.1
68.57712	1.8
69.42900	14.2
71.01364	6.2
73.02937	3.0
85.02961	2.7
89.02448	3.2
93.41421	2.0
101.02448	3.6
104.99786	2.3
110.15557	1.9
111.00835	4.2
127.67011	2.1
141.01933	3.6
153.70763	2.0
159.02969	7.8
175.15437	1.8
294.20691	2.4
333.86890	2.4
344.24472	21.2
346.25641	3.8
506.29669	100.0
507.30054	5.9
542.27338	58.2
543.18036	2.6
543.27777	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	542.2736
Annotation	Gadenine
Peak:m/z	Relative Intensity
56.92457	2.2
59.01373	3.3
59.13543	2.3
60.18670	2.0
61.98816	9.2
69.72552	13.0
71.01393	2.8
77.52604	2.2
96.96006	11.0
101.02412	3.4
111.00835	2.5
229.69646	2.5
297.53955	2.7
324.21643	2.5
342.22849	2.9
344.24463	32.1
345.24500	2.7
431.94397	2.3
476.41452	2.7
504.27975	29.6
505.28784	4.5
506.29480	38.8
507.29965	3.3
542.27130	100.0
543.17920	3.4
543.27362	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	543.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48751	0.1
53.57256	0.2
59.13459	0.1
62.54865	0.2
69.23774	0.1
69.69659	0.6
79.95730	3.0
80.96528	0.4
81.59362	0.2
82.45927	0.1
96.96008	100.0
97.95909	0.2
98.19936	0.3
173.04543	0.3
191.05623	0.3
197.54549	0.2
274.23877	0.2
512.31226	0.2
543.17090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07453	0.2
51.86807	0.2
55.01870	0.5
57.03448	1.7
57.58656	0.2
58.00590	0.4
59.01374	14.1
59.15899	0.2
61.98827	0.3
63.09334	0.2
63.57607	0.2
65.18380	0.2
67.01881	0.3
68.99817	0.3
69.03461	1.3
71.01377	10.0
71.05023	0.3
72.99297	0.7
73.00851	0.2
73.02942	2.0
74.03587	0.2
80.02678	0.6
81.03440	1.7
82.29704	0.2
83.01373	2.3
83.05029	1.4
84.02160	0.3
85.02948	2.7
87.00883	1.7
89.02438	8.9
91.03986	0.4
93.03448	0.7
95.01370	1.3
95.05021	1.3
96.95988	0.5
97.02955	2.4
97.06586	5.7
99.00874	0.7
99.04508	0.3
101.02435	10.5
106.04234	0.6
107.05043	0.3
108.02164	0.2
109.02933	0.4
109.06593	1.2
110.03734	0.6
111.04492	1.1
111.08128	0.2
113.02444	5.3
113.06102	0.3
119.03511	2.5
119.08661	0.9
121.02965	0.3
121.06594	1.4
121.10223	0.5
123.04517	3.1
123.08171	1.5
125.02436	0.5
125.06094	0.7
125.09714	5.0
127.07666	0.2
129.01915	0.3
131.03473	0.5
133.05099	0.4
135.04495	0.3
135.08160	1.1
136.05327	0.3
137.06050	0.5
137.09708	3.5
139.11288	0.2
139.91298	0.2
141.12866	1.0
142.02718	0.4
143.03491	1.1
145.06514	0.2
147.08127	0.5
148.08914	0.3
149.06053	0.8
149.09674	0.5
150.10527	0.3
151.11264	0.5
159.08072	0.3
160.08908	0.3
161.04538	4.9
161.09692	0.6
162.10484	0.5
163.07625	0.6
163.11273	6.5
164.08357	0.4
165.09154	0.7
165.10370	0.2
165.12813	1.8
167.10771	0.6
171.10220	0.6
173.04539	0.8
173.09631	0.3
174.10507	0.2
175.11221	1.1
177.09291	0.2
177.12846	0.9
179.05621	1.6
179.10713	0.6
181.12354	1.5
183.13928	0.3
185.06067	0.4
185.11818	6.0
187.06071	0.4
189.05536	0.6
189.12807	0.7
191.05614	1.2
191.10808	0.9
191.14401	7.9
192.14713	0.3
193.12344	0.9
197.11852	0.4
200.08444	0.5
202.13666	0.2
203.14299	0.4
207.10239	3.6
209.11812	19.0
210.12160	0.7
211.13376	2.3
215.14336	0.3
217.15948	1.2
219.10123	0.4
221.11731	0.2
225.11317	3.1
226.11905	0.4
227.12889	0.3
227.18034	0.5
228.07898	0.6
231.10106	0.3
235.08258	1.2
237.11292	13.0
238.11792	0.5
243.17542	0.6
245.19070	16.0
246.19437	0.7
247.17052	0.5
249.15009	0.2
251.12831	0.4
253.09262	40.3
254.09596	1.1
259.13269	0.3
261.18585	0.2
263.20096	5.3
264.20401	0.3
265.17990	0.3
271.16992	2.2
279.19672	0.4
281.21143	1.1
287.16437	0.3
289.18066	83.3
290.18439	3.6
291.19745	0.3
307.19119	100.0
308.19458	4.9
309.20697	0.3
325.14322	1.2
325.20148	0.5
445.20743	0.3
461.27832	0.2
495.31665	0.3
525.26831	1.3
543.19287	0.6
543.27905	5.9
544.28339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00026	0.6
56.39835	0.5
57.03463	0.6
57.98677	0.5
59.01377	2.7
60.99316	0.8
61.98827	38.5
66.89053	0.7
67.01883	3.6
69.03438	0.6
70.24934	1.2
71.01380	3.9
71.02477	0.6
73.02953	0.8
73.04105	0.7
74.02473	2.6
79.95742	2.2
80.96526	2.2
82.02987	0.8
83.05015	1.2
85.02950	1.5
87.00869	0.8
89.23341	0.7
93.03455	22.8
96.96007	8.4
104.03543	1.7
109.02970	1.2
109.04057	0.7
111.00907	0.6
111.04517	6.8
113.02454	1.1
126.09261	0.9
127.04164	1.0
127.05151	4.3
129.10361	0.8
130.08705	1.1
135.28894	0.7
137.02408	4.4
139.08749	0.9
143.11911	2.1
152.07098	0.8
155.03497	4.4
155.11887	2.5
159.25055	0.6
165.10281	0.7
169.09749	3.2
173.04538	88.9
173.13055	0.8
174.04895	1.7
179.11966	1.2
180.10326	1.4
187.10851	1.4
191.05640	3.6
200.14038	2.2
209.06039	2.0
210.05609	2.1
212.14005	2.6
214.08839	0.7
220.07500	0.7
222.05569	4.1
222.12453	11.7
223.07863	3.4
223.10867	2.2
224.07074	1.5
224.10728	0.7
225.00742	1.2
225.07524	0.7
229.08614	1.2
235.07629	1.5
236.07095	11.2
236.14270	1.4
237.07753	4.2
238.08688	2.0
239.09512	7.1
240.13518	9.0
244.12851	0.7
249.09369	1.0
250.08690	6.6
251.09378	4.4
252.10243	1.9
252.13876	4.5
262.12421	1.2
264.10193	4.9
265.11050	15.3
266.11560	1.3
278.11771	3.5
279.12650	4.9
280.13397	80.8
281.13803	2.9
284.12799	1.5
297.15530	1.3
298.14288	1.1
324.12375	100.0
325.12720	3.8
368.11334	9.8
423.10785	1.1
436.25162	0.7
468.24869	4.1
498.17810	2.6
498.25513	15.1
512.26721	0.9
525.16443	1.1
542.16681	27.5
542.28229	25.6
543.16675	4.2
543.28754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.6
59.01368	1.0
61.98819	0.6
69.79823	1.5
69.80237	0.6
70.95055	0.4
71.01381	1.6
72.00908	13.2
73.02932	0.7
78.95903	6.8
87.00846	1.9
89.02440	0.6
95.62546	0.4
96.96010	0.5
96.96956	0.7
98.19988	0.7
101.02451	0.7
103.05547	0.6
113.02454	0.8
113.42685	0.4
119.05064	1.7
121.02940	1.1
129.02013	0.5
133.17731	0.4
134.04733	1.8
140.41100	0.4
145.02910	1.1
147.04518	38.8
148.04845	1.1
149.02440	8.8
150.03226	16.0
151.03572	0.3
152.64497	0.3
158.92506	1.5
161.02467	1.2
161.04567	1.3
162.03215	1.6
163.03993	1.4
164.04822	6.0
164.07156	100.0
165.05559	38.8
165.07640	1.6
166.05873	0.8
173.04539	0.4
177.05588	1.2
180.04297	1.7
191.05542	0.6
195.06631	18.9
200.99660	0.8
215.98328	0.5
272.95691	0.8
327.10852	16.8
328.04663	0.9
357.11844	1.3
375.04883	1.2
394.08200	0.7
426.02142	0.5
440.65186	0.5
479.51819	0.4
540.05103	1.7
540.12164	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68941	0.3
52.11863	0.2
57.24323	0.2
59.01365	0.7
60.99308	13.9
69.39856	1.9
71.01402	0.3
75.00853	0.4
78.95898	2.6
80.96510	0.5
83.05061	0.2
87.00877	0.9
88.00401	1.1
88.98808	100.0
89.02442	3.9
89.99131	0.4
93.03471	0.5
96.96009	2.0
96.96980	0.4
97.02964	0.3
111.04465	0.3
137.02463	0.3
151.55109	0.2
152.99586	3.1
163.11302	0.4
173.04570	0.9
181.12318	1.2
191.05641	0.6
207.10255	3.1
209.11905	0.8
223.00148	0.3
225.11320	4.2
241.01207	1.0
280.13501	0.8
315.04953	0.5
323.87775	0.3
324.12357	0.9
416.38150	0.2
420.11398	0.2
466.43719	0.3
519.85773	0.3
541.16797	7.9
542.17084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
61.98826	4.8
66.33553	0.5
67.01889	0.8
69.03404	0.6
69.17072	2.3
69.17500	2.4
71.01383	1.4
74.64821	0.5
78.95902	0.7
83.05019	1.4
85.02927	0.6
87.00872	0.7
88.98766	0.6
93.03457	7.1
96.96001	0.9
98.19834	1.0
111.00876	0.6
111.04526	3.5
129.01944	0.8
137.02458	1.6
145.60262	0.5
149.98367	0.5
155.03487	4.3
155.08664	0.6
173.04539	29.7
181.89075	0.5
191.05573	2.0
194.06125	0.7
209.06006	2.5
209.08028	0.8
209.11697	0.7
210.05588	2.1
213.08098	0.9
214.08588	0.6
220.07611	0.9
222.05571	4.8
223.07840	2.8
223.09657	0.6
224.07149	1.9
225.07870	0.9
235.07605	1.7
236.07124	12.6
236.14352	1.0
237.07637	4.7
238.08720	1.7
239.09518	6.4
249.09149	1.3
250.08646	6.6
251.09367	4.9
252.10210	1.6
252.13991	3.9
262.12305	1.2
264.10239	5.2
265.11050	18.1
266.11392	1.1
278.11847	3.0
279.12634	6.3
280.13400	76.1
281.13702	4.1
284.12732	0.7
324.12381	100.0
325.12711	5.0
344.24454	1.1
368.06967	1.0
368.11359	8.3
369.11710	0.6
393.65286	0.6
498.17609	1.9
506.29391	0.8
542.16675	24.5
542.25183	1.3
543.17120	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	539.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03415	0.3
59.01379	14.6
60.99296	0.5
61.98836	2.2
69.96952	0.3
71.01379	3.6
71.55605	0.4
72.04887	0.3
72.99319	0.3
73.02940	1.2
78.95898	1.0
82.94949	0.3
83.01357	0.5
83.05003	0.5
85.02939	1.3
87.00893	0.6
88.98816	4.1
89.02432	2.7
93.03466	1.0
95.01389	0.3
96.96027	1.3
97.06528	0.3
99.00896	0.4
101.02430	3.5
113.02464	1.8
119.03531	1.0
134.03694	0.4
134.89502	0.3
135.04526	0.8
137.02448	0.4
143.03488	0.6
152.99660	0.5
155.03519	0.5
161.04546	1.3
163.04042	0.4
167.10759	0.5
167.14346	0.3
173.04547	2.0
179.05597	0.6
183.13922	5.1
191.05621	2.3
193.12302	1.1
195.06654	0.4
211.13388	100.0
212.13733	2.5
235.08118	0.6
253.06653	0.6
253.09286	12.0
275.09363	0.8
324.57004	0.3
408.75143	0.3
447.22342	11.5
448.22861	0.6
479.32074	0.7
539.18549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
58.00613	1.7
59.01382	100.0
61.98830	13.1
62.17727	1.3
69.03494	1.8
71.01005	2.4
71.01385	35.5
71.56142	1.7
72.99307	2.6
73.02957	20.8
75.00880	7.9
83.01393	5.6
83.05061	1.5
85.02953	17.2
87.00879	3.7
88.98817	2.4
89.02446	10.6
93.03483	2.4
95.01371	2.8
96.96016	38.0
99.00873	11.7
101.02443	33.4
108.02126	1.5
111.00889	2.4
111.04541	2.6
113.02446	16.9
119.03471	2.0
122.06131	4.6
125.02451	2.9
129.01945	1.6
131.03474	1.7
133.03029	3.4
134.03751	9.5
135.04556	3.0
137.02359	3.5
143.03517	3.4
149.04530	1.6
152.07208	9.3
155.03528	2.2
159.02957	4.1
160.04019	2.4
161.02493	1.7
161.04521	9.5
162.03201	3.5
173.04572	7.9
177.01897	2.8
178.02733	11.4
179.03470	1.7
191.05646	7.4
192.06734	6.8
231.10306	1.6
253.09184	5.2
275.09198	15.1
303.18280	3.0
303.21689	20.2
321.19223	19.0
325.11771	1.8
357.14398	6.2
359.73672	1.6
363.20062	8.9
377.28821	2.4
431.23322	1.7
435.22302	5.3
449.14532	2.5
453.23438	37.0
454.23520	2.3
464.17862	2.0
495.24469	95.2
496.18204	2.0
496.24667	6.8
508.17139	3.0
539.17560	12.2
539.34344	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	539.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09392	0.3
59.01374	1.0
61.98840	0.5
63.96210	0.6
67.08125	0.2
67.14845	0.2
69.03445	0.5
70.69728	0.4
70.70037	0.4
71.01377	6.2
72.35673	0.3
73.02958	1.3
78.95879	0.5
78.98582	4.6
79.95731	8.1
80.96513	52.7
81.03442	0.6
83.01395	0.3
83.34497	0.3
85.02946	2.2
87.00864	2.3
90.37766	0.3
94.98081	12.9
95.01396	0.5
96.96001	0.9
97.02941	1.1
99.00863	0.4
101.02430	2.1
101.05931	0.3
106.98071	2.6
117.66122	0.3
122.97570	5.1
125.02439	3.2
127.03999	0.8
134.97586	3.9
136.99107	1.5
143.03484	0.3
148.99138	5.1
152.98616	5.2
152.99716	0.5
164.98610	9.5
167.00204	0.4
182.99722	2.0
206.99686	3.1
225.00725	17.6
226.01024	0.3
239.20177	3.5
243.01747	1.6
299.04355	2.9
317.05350	0.4
441.93805	0.3
535.67950	0.3
539.25262	100.0
540.25574	7.1
545.67981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34874	0.4
59.01374	0.7
60.84972	0.3
61.61077	0.3
61.98833	100.0
69.59850	2.3
71.01402	0.6
79.95685	0.4
85.02966	0.4
88.50916	0.3
93.03492	0.6
98.19936	0.6
100.95441	0.4
101.90453	0.3
147.81934	0.4
172.05157	0.5
173.04607	0.9
191.05533	0.7
239.20209	0.6
240.20557	0.7
277.21768	1.5
283.13531	0.5
290.43228	0.3
325.14377	0.4
326.15002	0.5
343.15619	0.6
372.57574	0.4
537.75604	0.8
538.25903	0.5
539.25372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30712	0.8
53.12427	0.9
54.29867	1.0
57.03432	1.1
59.01378	17.7
60.99290	2.0
61.98829	9.8
62.64956	0.9
69.03428	2.7
69.83468	1.9
69.83862	2.4
71.01385	6.6
71.05022	1.5
73.02938	2.2
78.05103	0.8
78.95899	48.7
81.02830	0.9
85.02944	1.3
85.06566	1.2
87.00869	0.9
88.98807	9.7
89.02421	3.4
93.03442	5.5
96.95992	7.7
96.96938	8.4
101.02410	4.8
109.06609	2.1
111.04472	1.3
113.02437	2.4
117.03463	1.0
119.05067	1.8
123.04539	1.0
127.07638	4.0
127.93916	1.0
133.02917	0.9
134.03734	2.1
134.59677	0.9
135.04497	2.5
145.02945	1.4
152.99577	69.3
161.04527	2.2
163.03978	1.6
167.10756	4.0
167.22223	0.9
171.00656	2.8
171.06583	3.0
173.04518	7.3
179.03476	1.1
179.10780	1.7
179.14471	3.6
183.13919	3.0
191.05582	6.6
193.12469	1.1
195.13870	9.5
205.12329	8.5
211.13371	70.7
212.13699	1.7
223.00072	6.4
223.13367	43.5
241.01170	21.3
253.09297	8.5
259.02219	1.5
273.09705	1.2
275.09198	1.9
279.54926	1.0
315.04843	13.6
333.11893	1.7
436.56348	1.1
447.22333	8.9
476.32339	1.0
538.33478	2.4
539.18903	100.0
539.32129	2.8
540.19489	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	539.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03448	2.8
58.00587	1.6
59.01379	95.6
61.98830	19.2
65.74250	1.1
69.03463	1.6
71.01385	36.1
71.56052	1.9
72.99316	2.5
73.02938	19.4
75.00868	8.2
83.01377	7.5
85.02951	16.5
87.00888	3.9
88.98816	4.0
89.02438	10.2
93.03472	3.8
95.01398	3.0
96.96010	29.6
96.96606	2.4
97.02927	1.4
99.00884	13.6
101.02441	32.3
108.02164	1.4
111.00852	3.4
111.04527	2.4
113.02442	17.5
116.05048	1.3
122.06105	4.8
125.02422	2.9
129.01912	1.2
133.02928	6.2
134.03740	14.8
135.04521	5.1
137.02455	5.2
138.05574	2.0
139.04018	2.0
143.03502	3.0
152.07155	11.2
155.03488	2.3
159.02951	4.7
160.04041	2.8
161.02419	1.8
161.04565	9.1
162.03209	8.7
173.04553	7.9
177.01952	4.8
178.02696	20.2
179.03505	3.4
191.05582	9.0
192.06671	5.4
231.10263	2.7
253.09323	6.2
275.09235	28.1
276.09631	1.5
285.03992	1.4
303.18094	4.3
303.21735	13.0
321.19168	19.6
325.11774	2.8
357.14713	6.7
363.20187	9.8
364.13907	1.3
377.29041	1.5
435.22412	9.2
446.78702	1.2
449.14554	3.4
453.23340	40.1
454.17514	1.6
454.23373	2.5
464.18576	1.5
495.24438	100.0
496.18106	3.1
496.24881	7.1
501.29541	1.7
508.16901	3.3
539.17596	26.0
539.34204	14.7
540.18927	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
61.98825	2.0
70.29763	1.4
70.54982	0.6
71.01372	3.0
74.02473	1.6
75.00871	0.8
78.65820	0.6
80.14978	0.7
80.91729	0.6
85.02954	1.4
87.00888	1.0
88.98818	0.7
89.02430	1.1
93.03477	2.2
95.16185	0.6
96.96009	10.5
101.02428	1.7
101.90612	0.7
108.02162	1.4
109.02959	22.2
109.03701	1.5
112.47334	0.7
113.02460	0.7
119.05000	0.8
120.57027	0.6
121.02941	2.0
122.03728	1.1
123.00910	0.9
128.03502	0.8
129.40483	0.6
134.03792	0.8
135.04463	0.9
136.01660	13.0
137.02419	1.6
143.05020	0.7
145.02995	1.8
146.03792	3.4
147.04506	1.8
149.89667	0.7
151.04008	15.9
158.03723	1.6
159.04477	1.9
160.05305	1.9
161.06075	2.2
165.05569	1.1
172.05276	1.8
173.04559	2.8
173.05984	0.7
175.02605	1.2
175.03979	5.3
175.07619	1.2
176.04720	4.3
187.04036	0.8
189.05547	6.5
190.06319	5.2
191.05598	2.6
191.07143	7.1
194.68655	0.6
201.45706	0.7
209.11839	2.2
223.07721	0.8
239.07191	3.4
249.05678	0.8
250.06250	1.3
251.07112	2.9
253.09161	0.8
261.05331	1.7
266.05881	1.2
267.06619	44.0
268.07028	1.1
278.05743	1.5
279.06616	10.5
281.08337	1.3
282.08969	38.4
283.09332	1.5
293.08081	1.6
294.09042	6.1
296.10574	1.2
297.11307	100.0
298.11636	4.8
309.11288	1.5
311.09183	1.1
312.09991	13.3
315.12302	1.7
327.12366	70.0
328.12772	3.1
345.13406	50.8
346.13782	2.8
357.09338	1.1
357.13434	13.8
358.13824	0.8
375.14478	73.1
376.14536	3.4
386.54996	0.7
537.19922	5.6
538.29553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47845	2.1
58.57107	2.4
59.01380	40.9
59.28760	2.7
61.98829	13.9
67.01871	2.5
69.03459	2.9
69.42335	4.4
69.42733	15.8
71.01382	14.2
72.01299	2.7
73.02941	3.8
76.09357	2.3
78.75801	2.7
78.95899	4.3
80.96507	5.9
81.03437	3.3
83.08881	2.3
85.02954	7.4
86.21262	2.7
88.98809	3.9
89.02436	11.4
91.01888	7.6
93.03440	9.8
96.96015	10.8
99.04502	2.9
101.02427	6.3
108.02171	16.9
109.02953	5.9
113.02417	5.7
119.05041	3.2
121.02945	6.0
121.19017	2.8
123.00864	6.1
125.02437	3.6
135.00853	10.3
135.04520	7.9
137.02460	4.1
137.77669	2.5
144.69861	2.8
147.04538	3.0
149.02441	2.8
152.01125	17.3
152.99623	3.5
163.04001	5.0
167.03491	6.4
167.22223	2.3
171.00629	4.2
173.04587	13.5
173.05879	4.1
176.10405	2.6
179.03450	2.8
179.05658	3.3
191.03828	3.7
191.05603	21.5
193.01216	2.8
203.03430	2.5
209.11687	2.6
211.13461	3.0
213.05582	3.5
243.06612	61.5
244.07011	2.6
263.05655	4.8
296.58890	2.7
297.04025	4.4
298.04773	10.2
307.04449	5.3
326.04309	13.6
340.05774	2.9
405.11804	7.3
429.10153	5.4
433.28055	7.1
449.34662	4.5
501.30624	5.7
509.18149	9.6
537.16827	100.0
537.28271	58.3
538.16986	7.1
538.26825	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	538.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03430	3.1
55.01878	2.8
59.01382	22.7
61.98828	6.3
62.12299	2.5
67.01916	2.5
71.01388	21.0
71.55967	2.7
72.99316	34.3
73.02926	6.6
75.00870	11.5
85.02945	7.6
87.00879	9.1
89.02436	16.1
93.03493	2.8
96.96011	5.7
99.00859	4.5
101.02450	15.3
105.01985	2.5
111.00890	31.2
113.02419	9.6
114.02744	2.6
117.01925	3.2
119.03507	8.4
127.00330	6.3
129.01907	9.7
135.02975	23.3
141.01950	20.3
149.02446	13.8
150.03200	18.6
151.03587	7.4
159.01698	3.3
159.02992	51.9
164.04744	4.2
165.05626	13.8
166.05862	7.3
173.04556	7.8
179.05597	6.6
191.02023	4.6
191.05554	9.2
195.06567	6.8
196.07024	5.0
201.81152	2.7
327.12415	11.9
328.12662	25.1
342.22836	100.0
343.23065	3.1
379.22665	2.6
454.23917	3.7
538.24182	28.8
543.84119	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67370	1.1
58.00581	1.8
59.01379	48.8
61.98820	1.9
63.84566	1.2
67.84349	1.1
70.55925	2.4
71.01381	46.3
72.98920	1.6
72.99303	8.8
73.02947	7.3
75.00864	4.8
83.01402	2.9
85.02934	12.2
87.00881	6.1
89.02438	51.1
93.03448	4.7
95.01398	2.7
96.95996	4.2
97.02941	1.2
99.00880	2.6
101.02436	25.4
108.02140	1.7
113.02434	19.3
117.67220	1.3
119.03500	17.4
121.02953	5.3
122.03728	9.5
129.01878	1.1
131.03493	4.3
135.03006	7.2
136.01614	2.7
137.02368	1.5
143.03485	5.4
144.57692	1.3
147.04503	1.6
149.02426	52.5
149.04420	1.9
150.03218	88.3
151.03990	5.8
159.02965	4.3
159.04242	1.2
161.04529	14.6
162.03270	1.1
164.04765	17.9
164.06003	1.7
165.05560	83.6
166.05887	1.6
173.04483	5.8
179.05614	25.8
179.07094	2.5
180.04225	4.7
190.81944	1.1
191.02080	2.0
191.05603	7.2
195.06615	39.6
227.63144	1.4
249.70084	1.2
254.63846	1.1
283.09683	3.1
312.10052	15.8
319.08072	1.3
327.12332	100.0
328.12698	5.0
339.12088	1.4
342.22702	3.7
357.13455	1.4
363.23834	4.4
375.14557	3.9
461.68149	1.5
489.17587	14.8
508.95242	1.5
537.19739	38.7
537.28406	4.3
538.19550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
58.00581	3.6
59.01381	91.3
60.01710	1.1
60.99313	7.7
61.98831	1.8
63.77346	0.9
69.28433	7.4
71.01383	69.7
72.01707	1.7
72.99313	11.1
73.02932	3.3
75.00861	2.7
75.36499	0.7
83.01373	3.2
85.02956	11.6
87.00872	7.2
88.98808	43.8
89.02448	100.0
91.37228	0.8
95.01371	3.1
96.00732	0.8
96.96009	3.2
98.20667	1.7
99.00854	1.4
101.02447	34.7
104.12568	0.8
105.01951	7.3
108.02166	1.3
109.02930	2.2
111.04480	1.3
113.02455	26.4
113.03248	1.3
117.03452	1.8
119.03508	37.4
119.04859	1.4
121.02959	1.9
122.03681	1.0
123.04473	1.2
131.03516	4.8
133.02945	8.0
135.02975	3.2
135.04536	3.7
136.01578	0.9
143.03526	6.8
145.02951	9.9
146.03740	32.5
147.03012	6.3
147.04456	3.6
148.03406	0.8
149.02403	2.2
149.04558	4.2
150.03174	3.2
151.03978	1.2
161.02458	6.7
161.04533	5.4
161.06052	8.0
162.03230	42.5
163.00284	0.9
163.03999	3.9
164.03496	1.4
164.04793	19.9
165.05537	3.7
173.04543	2.1
175.03973	2.2
177.01956	1.7
177.05565	37.0
179.05573	18.9
179.07118	34.4
180.04265	2.0
191.01894	1.1
191.03555	1.7
191.05612	2.9
193.01442	1.1
195.06633	7.2
199.04045	0.9
201.01939	1.2
213.05496	1.1
223.09657	0.9
253.05115	1.2
255.03291	0.9
284.03284	7.0
285.04089	4.6
297.04034	11.2
298.04758	5.7
299.05591	13.0
302.90167	0.9
311.05603	2.4
327.05093	79.2
327.12186	4.3
328.05557	5.0
339.05090	2.0
339.12161	2.9
357.01700	1.2
357.06070	19.5
357.11874	3.1
358.06201	1.8
369.06058	2.0
371.28409	0.9
393.06128	1.0
447.09302	76.6
448.09634	6.6
489.17517	2.2
537.20300	1.9
537.27972	2.6
538.28973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92310	0.7
58.00599	0.9
59.01377	21.3
60.99300	9.3
61.98826	1.6
66.90181	0.6
69.67664	2.3
69.68073	1.3
71.01378	16.5
72.99304	5.6
73.02940	1.7
75.00858	2.0
77.68017	0.7
83.01367	1.3
85.02933	3.4
87.00866	2.6
88.98800	56.1
89.02440	22.1
93.03442	1.3
95.01369	1.7
96.96008	1.4
101.02429	8.0
105.01963	3.6
109.02955	1.9
113.02455	5.5
119.03490	9.3
119.04967	1.1
121.02961	2.1
122.03671	0.7
123.04495	0.7
125.02441	1.2
131.03470	1.3
133.02940	9.5
134.03726	0.8
135.02945	2.4
135.04526	1.5
143.03450	1.5
145.02924	1.8
146.03729	6.9
147.02966	3.0
147.04459	1.3
149.02386	2.0
149.04532	1.3
150.03188	2.6
151.04016	1.0
161.02425	3.0
161.04532	1.9
161.06039	1.6
162.03207	9.5
163.00316	1.6
163.04053	3.5
164.04803	5.0
165.01906	1.8
165.05515	2.0
173.04483	1.2
175.03979	2.8
177.01938	0.8
177.05531	8.7
179.03735	0.6
179.05557	4.6
179.07111	7.5
190.99936	0.7
191.01843	1.1
191.03491	1.7
191.05571	1.8
193.01418	1.4
195.06560	2.1
198.94400	0.6
199.03876	1.0
201.01808	0.9
211.04045	0.9
213.05621	0.7
225.05424	0.9
231.06618	0.9
241.05087	1.0
253.04965	0.8
255.06557	0.7
281.04562	0.7
284.03204	8.6
285.03934	7.2
297.04022	16.2
298.04761	8.5
299.05569	18.4
300.06064	1.0
311.05527	3.3
325.03610	1.1
327.05054	98.6
327.12125	2.5
328.05374	3.9
339.05002	4.0
339.11938	0.9
357.01651	1.2
357.06116	23.8
358.06677	0.8
369.06152	3.5
393.06158	0.7
447.09268	100.0
448.09576	6.0
489.17172	1.1
537.28326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Tanegoside
Peak:m/z	Relative Intensity
59.01371	2.8
61.98825	2.0
70.29763	1.4
70.54982	0.6
71.01372	3.0
74.02473	1.6
75.00871	0.8
78.65820	0.6
80.14978	0.7
80.91729	0.6
85.02954	1.4
87.00888	1.0
88.98818	0.7
89.02430	1.1
93.03477	2.2
95.16185	0.6
96.96009	10.5
101.02428	1.7
101.90612	0.7
108.02162	1.4
109.02959	22.2
109.03701	1.5
112.47334	0.7
113.02460	0.7
119.05000	0.8
120.57027	0.6
121.02941	2.0
122.03728	1.1
123.00910	0.9
128.03502	0.8
129.40483	0.6
134.03792	0.8
135.04463	0.9
136.01660	13.0
137.02419	1.6
143.05020	0.7
145.02995	1.8
146.03792	3.4
147.04506	1.8
149.89667	0.7
151.04008	15.9
158.03723	1.6
159.04477	1.9
160.05305	1.9
161.06075	2.2
165.05569	1.1
172.05276	1.8
173.04559	2.8
173.05984	0.7
175.02605	1.2
175.03979	5.3
175.07619	1.2
176.04720	4.3
187.04036	0.8
189.05547	6.5
190.06319	5.2
191.05598	2.6
191.07143	7.1
194.68655	0.6
201.45706	0.7
209.11839	2.2
223.07721	0.8
239.07191	3.4
249.05678	0.8
250.06250	1.3
251.07112	2.9
253.09161	0.8
261.05331	1.7
266.05881	1.2
267.06619	44.0
268.07028	1.1
278.05743	1.5
279.06616	10.5
281.08337	1.3
282.08969	38.4
283.09332	1.5
293.08081	1.6
294.09042	6.1
296.10574	1.2
297.11307	100.0
298.11636	4.8
309.11288	1.5
311.09183	1.1
312.09991	13.3
315.12302	1.7
327.12366	70.0
328.12772	3.1
345.13406	50.8
346.13782	2.8
357.09338	1.1
357.13434	13.8
358.13824	0.8
375.14478	73.1
376.14536	3.4
386.54996	0.7
537.19922	5.6
538.29553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03435	1.8
58.00600	2.0
59.01379	42.8
63.39056	0.4
66.03480	1.4
69.50290	1.5
69.50713	1.3
70.02980	0.9
71.01382	29.9
72.99299	3.5
73.02946	7.2
83.01382	3.3
83.04982	0.5
84.04478	0.4
85.02947	9.3
86.02489	0.6
87.00903	2.2
89.02444	27.2
92.05048	0.9
94.02966	0.5
95.01369	1.5
96.04537	1.4
96.96002	1.1
98.02480	5.5
98.06097	0.7
99.00869	1.3
101.02441	20.1
107.08637	0.5
108.04533	1.9
109.02984	0.5
110.06140	0.6
111.00865	1.6
113.02452	10.0
114.05619	0.4
119.03493	10.0
120.04521	0.5
122.06126	1.4
124.07627	0.5
131.03526	0.5
134.39078	0.5
136.07689	1.0
137.09723	0.5
143.03455	1.1
148.07693	0.9
149.06006	0.7
149.09738	0.4
159.02995	0.8
161.04587	1.8
164.07178	0.5
167.10767	0.8
173.04506	0.9
177.01801	0.4
179.05609	2.0
180.10210	0.6
188.07140	0.7
190.89267	0.4
191.05573	0.6
197.90195	0.4
198.11311	0.5
272.16452	0.9
290.17651	6.0
298.19888	0.4
302.17627	1.5
304.19070	0.8
308.18689	8.3
320.18631	1.8
322.20212	1.2
338.19879	1.1
356.20682	1.5
374.21722	3.0
376.23245	1.7
403.19742	0.5
452.22861	1.0
464.22696	0.7
470.23920	13.5
471.24301	0.8
482.23984	7.6
488.25040	1.3
500.24933	5.6
518.26099	14.8
519.26196	0.9
536.27100	100.0
537.27405	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	536.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03439	5.5
58.00592	1.6
59.01381	25.8
60.01697	1.2
60.99306	1.2
61.98829	9.7
61.99128	1.1
69.03475	0.7
71.01383	51.6
72.01714	0.9
72.99307	32.1
73.02946	15.4
74.02462	1.4
75.00877	8.1
78.66267	0.6
82.95408	1.1
83.01390	1.2
85.02956	8.9
87.00875	9.6
88.98814	4.5
89.02444	13.1
93.03466	2.9
94.03797	0.7
95.01392	1.1
96.96018	10.2
98.02492	1.1
99.00866	5.2
101.02450	9.6
103.00368	1.3
105.01934	77.8
111.00906	0.8
111.04516	1.6
113.02447	4.1
115.00379	1.5
116.92853	0.9
117.01962	3.5
119.03501	5.1
124.04256	0.6
128.03532	1.5
129.01918	1.2
129.02869	0.6
131.03485	0.8
133.01440	1.4
133.02925	1.4
134.03706	0.9
135.03004	8.4
135.04547	1.2
137.02441	0.8
143.03513	1.1
143.04613	1.0
146.03722	1.9
147.02995	100.0
148.03365	0.8
149.02432	0.7
149.04515	1.3
155.03470	1.2
155.10774	0.7
158.75697	0.7
161.00938	1.7
161.02501	0.8
161.04530	2.6
162.03210	3.2
164.04826	1.2
173.04558	4.9
174.04893	1.4
177.05603	2.9
179.05605	2.2
179.07114	2.3
191.01985	5.8
191.03543	0.9
191.05565	4.2
192.80157	0.6
195.40698	0.6
198.10652	0.7
226.11740	0.7
243.42059	0.6
253.09155	1.0
275.09323	1.5
285.04095	0.9
294.20874	0.9
297.04059	1.1
299.05676	1.2
306.21280	0.7
308.07416	2.3
327.05048	7.3
327.08548	1.2
357.06009	1.3
374.13004	1.3
447.09396	7.2
504.16779	0.7
518.26208	4.2
536.27155	32.2
537.27142	2.5
545.12311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.312
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01880	0.8
55.08670	0.3
57.03437	1.3
58.00594	0.6
59.01377	15.3
61.98828	2.7
69.51310	1.3
69.51717	0.9
71.01377	9.5
72.99308	1.3
73.02943	2.6
83.01382	2.1
83.05003	0.4
85.02946	3.9
87.00877	1.3
89.02441	3.5
93.03442	1.2
95.01391	0.5
96.94463	0.3
96.96001	1.6
97.02959	0.4
99.00886	0.7
99.23547	0.3
101.02431	5.9
108.02151	0.7
111.00851	0.6
111.04453	0.4
111.08192	0.5
113.02444	3.8
115.00349	0.6
119.03465	0.9
119.05061	0.3
122.03675	0.4
123.04507	0.8
123.08125	0.4
123.51369	0.3
125.02433	0.4
125.09791	0.4
129.89476	0.4
149.02412	0.5
152.01112	0.9
153.09271	0.4
155.10765	0.9
155.15590	0.4
158.12115	0.3
159.03043	0.5
167.03499	1.8
171.10262	2.0
173.04549	2.6
175.02452	0.4
185.03220	0.3
185.11804	0.6
191.05595	1.9
209.11795	0.7
281.21057	0.5
285.20758	0.5
327.21570	0.4
327.25314	0.4
355.24841	2.4
373.14984	0.6
373.25888	7.8
419.61978	0.4
431.26352	0.8
433.63733	0.4
517.30157	1.4
535.31207	100.0
536.31567	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	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01377	43.0
60.01708	0.9
61.98827	100.0
65.95175	0.4
69.71126	2.2
70.10046	0.4
71.01379	5.4
71.25626	0.3
72.99309	0.8
73.02950	2.2
83.01390	0.5
85.02943	1.8
87.00900	1.1
88.98811	3.0
89.02446	1.8
93.03468	1.2
95.01400	0.5
96.96020	0.8
99.00873	0.6
101.02448	3.1
102.02801	0.6
104.69896	0.4
105.01980	0.5
113.02454	2.5
119.03487	0.9
123.08172	1.1
126.33179	0.4
147.04474	0.5
149.04561	1.0
150.03217	0.4
161.04501	2.6
163.11278	1.4
173.04584	1.1
179.05591	0.8
179.18214	0.4
189.12831	2.3
191.05547	1.9
203.05589	0.7
207.13858	3.6
221.06682	0.4
225.15065	1.0
239.55481	0.4
244.72295	0.3
276.59943	0.4
277.53992	0.4
283.09857	0.4
284.03342	1.4
285.04004	2.3
301.28824	0.4
330.14395	0.9
369.18646	0.4
374.13412	0.5
377.28009	0.4
387.20255	2.0
429.21234	5.4
432.23108	0.5
447.09338	3.6
492.25928	0.8
536.18585	0.9
536.26031	0.4
547.21368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26582	0.2
53.18474	0.2
54.80904	0.2
55.15617	0.2
59.01394	0.2
61.98824	1.6
62.96408	0.3
67.21575	0.2
75.03356	0.2
78.95898	49.9
82.31361	0.2
89.68060	0.2
96.96016	0.3
96.96958	6.7
98.16192	0.2
113.81776	0.3
125.70576	0.2
150.98007	2.0
152.99576	100.0
153.99951	0.7
171.00627	3.9
176.16141	0.2
191.05663	1.1
233.62102	0.3
259.23138	0.2
277.21658	0.4
295.22745	0.7
309.20486	0.3
449.23053	30.2
450.23486	1.4
536.26196	10.3
537.26184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03434	1.0
59.01377	36.1
61.98826	2.6
69.03459	0.8
71.01377	10.8
71.04923	0.6
72.99301	0.8
73.02937	3.2
78.95889	0.6
79.70991	0.5
83.01385	2.5
85.02947	4.9
86.00054	0.5
87.00859	1.6
89.02441	1.9
93.03433	1.3
95.01387	0.9
96.95998	0.6
98.19953	1.8
99.00867	1.1
101.02439	8.0
104.17468	0.5
111.00912	1.4
113.02457	3.5
119.03470	0.6
125.02390	0.7
137.02429	0.6
142.03818	0.5
152.99568	0.8
173.04521	1.7
191.05635	1.4
204.24083	0.6
206.81944	0.7
219.10231	0.7
245.04327	0.7
269.21191	13.5
287.22171	3.2
329.23325	0.9
413.25183	2.9
415.92569	0.7
431.26434	17.4
432.26926	1.4
449.27493	5.2
473.27246	0.8
475.32767	2.4
491.28577	100.0
492.28882	7.7
528.05078	0.6
535.22406	1.1
535.30389	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.4
65.81171	0.4
70.18460	1.3
70.97729	0.4
71.01385	2.5
71.47127	0.3
73.02929	0.4
77.99355	0.3
78.95892	0.5
81.52939	0.3
85.02977	0.3
89.02436	2.3
98.20523	0.5
101.02417	2.0
109.38469	0.3
113.02457	1.0
119.03487	0.7
133.05139	0.5
133.44759	0.3
142.88614	0.3
161.04572	0.9
179.05635	0.4
183.13980	0.5
200.13843	0.5
221.19077	0.4
227.12959	0.7
235.08159	1.2
239.20134	100.0
240.20406	3.2
253.09247	10.7
365.26926	1.0
366.27292	1.3
367.27615	4.2
475.29080	0.6
535.29413	1.8
539.20001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40213	0.5
53.03037	0.5
54.66708	0.6
59.01378	13.9
61.98816	1.4
67.23342	0.5
71.01373	2.7
71.56640	0.7
73.02946	0.6
78.95908	6.1
80.55405	0.5
85.02950	0.6
88.98792	0.7
89.02432	2.1
99.00828	0.5
101.02421	2.0
107.65656	0.6
113.02470	1.0
125.09703	0.8
152.99571	1.8
153.90755	0.6
161.04582	0.7
165.12830	1.0
166.05363	0.5
171.00653	1.0
183.13878	3.4
201.11302	1.1
207.10257	1.3
221.19196	0.7
225.11343	1.9
227.12872	3.3
235.08258	1.5
239.20146	100.0
240.20490	4.0
243.12334	1.9
253.09256	11.1
277.21536	0.6
279.23212	0.6
289.18094	0.7
307.19424	1.1
309.20676	2.2
351.22134	0.5
367.27362	1.2
475.29254	1.4
476.27863	0.9
477.28067	2.7
518.02692	0.6
535.23737	0.7
535.36877	6.5
536.23859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60156	1.7
55.01865	3.0
57.03424	2.6
59.01377	81.4
61.98827	28.0
68.77773	2.2
71.01382	27.7
71.56286	2.7
72.99297	4.7
73.02938	7.2
75.00870	63.5
78.95902	2.4
83.01367	4.3
83.04981	2.0
85.02958	14.8
87.00871	10.1
89.02430	6.9
93.03451	6.2
96.95997	7.1
99.00871	5.1
101.02438	15.1
111.00824	2.1
113.02428	10.9
119.03528	3.3
119.05029	3.3
123.04487	2.3
123.50238	2.2
125.02422	3.8
127.11252	2.4
135.04504	5.1
145.03040	2.4
152.99506	2.5
153.37735	2.1
171.10338	2.7
173.04579	13.9
191.05588	15.2
203.23723	1.9
269.21228	5.4
271.03125	2.2
287.22278	36.3
313.23788	4.9
331.24966	17.1
386.01187	2.2
431.26511	27.5
449.14841	2.4
449.21793	3.4
449.27533	42.7
450.27744	4.8
475.29099	7.1
491.28604	100.0
492.28925	6.4
493.30118	16.2
518.57178	2.4
535.31281	61.6
536.31726	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60156	1.7
55.01865	3.0
57.03424	2.6
59.01377	81.4
61.98827	28.0
68.77773	2.2
71.01382	27.7
71.56286	2.7
72.99297	4.7
73.02938	7.2
75.00870	63.5
78.95902	2.4
83.01367	4.3
83.04981	2.0
85.02958	14.8
87.00871	10.1
89.02430	6.9
93.03451	6.2
96.95997	7.1
99.00871	5.1
101.02438	15.1
111.00824	2.1
113.02428	10.9
119.03528	3.3
119.05029	3.3
123.04487	2.3
123.50238	2.2
125.02422	3.8
127.11252	2.4
135.04504	5.1
145.03040	2.4
152.99506	2.5
153.37735	2.1
171.10338	2.7
173.04579	13.9
191.05588	15.2
203.23723	1.9
269.21228	5.4
271.03125	2.2
287.22278	36.3
313.23788	4.9
331.24966	17.1
386.01187	2.2
431.26511	27.5
449.14841	2.4
449.21793	3.4
449.27533	42.7
450.27744	4.8
475.29099	7.1
491.28604	100.0
492.28925	6.4
493.30118	16.2
518.57178	2.4
535.31281	61.6
536.31726	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.03458	1.9
58.00604	1.1
58.23682	1.0
59.01383	39.3
59.01688	1.9
61.98832	54.6
69.03452	1.9
71.01378	13.4
71.04966	1.3
71.55714	1.2
72.99303	1.3
73.02950	5.2
75.00839	1.3
83.01398	3.2
85.02966	8.5
87.00868	4.1
88.13576	1.1
88.98808	1.2
89.02439	2.7
93.03465	3.0
95.01389	1.7
96.96024	6.8
99.00880	2.0
101.02463	7.9
111.00885	1.6
113.02430	5.6
119.05034	2.0
121.02953	1.6
125.02473	2.5
133.02982	1.4
152.99565	1.6
161.04561	1.3
173.04539	4.3
175.04012	1.0
175.18375	1.1
178.02654	1.8
188.91129	1.1
190.52327	1.3
191.05557	6.5
218.31819	1.1
221.15421	2.7
239.16528	5.1
253.09299	3.4
269.21240	2.3
287.22269	22.9
306.07471	1.5
427.77420	1.4
431.26465	13.7
449.27527	30.6
450.27719	1.7
463.71500	1.2
475.28650	1.4
491.28598	100.0
492.28812	5.8
535.08685	1.4
535.23041	2.3
535.31427	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	535.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34345	0.4
57.31466	0.4
59.01376	24.2
61.98825	6.4
66.95906	1.8
69.27567	4.0
69.27971	1.0
71.01379	10.5
72.99312	1.0
73.02939	4.9
75.00876	1.1
77.56514	0.5
80.91666	1.5
82.95412	100.0
83.01381	1.4
85.02952	3.7
85.88110	0.6
87.00871	1.8
89.02451	7.6
93.03466	2.0
95.01373	0.6
96.95991	3.1
97.06597	0.5
99.00898	2.5
101.02431	7.8
109.02948	0.6
113.02432	5.4
119.03495	3.1
131.03479	0.8
134.03752	1.7
137.02420	0.6
143.03497	1.6
147.04486	0.8
149.04541	1.8
150.03276	0.6
160.05310	1.4
160.95699	0.5
161.02426	0.7
161.04550	3.8
161.05830	0.9
162.03214	33.8
163.03592	0.9
173.04500	3.0
174.04930	0.5
175.07635	1.1
175.11241	1.9
177.05553	36.0
178.06024	1.1
179.05603	2.0
191.05649	2.8
193.12386	2.7
203.05528	0.9
221.06630	3.3
233.15558	1.0
251.16469	1.3
257.68283	0.5
261.09750	0.9
263.07666	0.7
271.92557	0.6
311.05640	0.5
329.13971	6.6
361.18655	1.2
373.13177	0.9
428.65634	0.6
431.22855	1.3
448.70538	0.6
449.24023	1.1
520.33124	0.7
535.27759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55519	1.2
51.42404	1.4
55.85521	1.3
57.03439	1.8
58.00587	1.8
58.50056	1.3
59.01378	93.7
61.98829	20.5
66.95932	1.6
69.33069	9.9
70.12678	1.1
71.01379	38.7
72.99319	3.3
73.02943	18.9
75.00867	3.0
82.95415	71.4
83.01395	6.4
83.05020	2.0
85.02937	12.5
87.00872	3.5
89.02445	27.1
89.02993	1.6
93.03465	4.2
95.01372	3.6
96.96018	6.3
98.19838	2.2
99.00884	15.1
101.02435	26.4
103.00381	3.3
109.02957	1.6
111.04446	1.3
111.72958	1.5
113.02444	21.4
119.03461	9.4
125.02460	3.0
131.03516	5.5
133.03001	1.8
133.10185	1.9
134.03703	1.9
143.03508	4.4
147.04514	2.2
149.04576	8.5
150.03185	1.2
151.00346	2.4
155.03510	1.6
160.05302	3.4
161.02484	2.0
161.04558	17.4
161.05917	2.7
162.03220	99.6
163.03693	2.1
163.11295	1.6
173.04529	5.8
175.07661	2.6
175.11218	4.6
177.05550	100.0
178.05913	3.3
179.05595	7.2
191.05589	9.4
193.12292	10.6
198.45786	1.3
203.05563	5.6
221.06592	7.8
251.16454	2.6
261.09854	3.2
263.07727	2.9
284.10583	1.5
287.18527	2.1
329.13861	18.9
413.21521	1.4
431.09290	1.6
431.22903	8.1
449.24298	6.7
482.94800	1.4
535.26721	2.6
547.29340	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	535.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.2
60.99007	1.1
60.99305	17.3
61.98828	3.5
71.01377	3.6
72.99313	0.9
73.02940	0.7
75.00867	1.4
83.01362	0.7
85.02961	3.6
87.00872	1.0
88.98800	100.0
89.02444	1.4
93.03459	0.6
95.01373	0.6
96.95998	1.9
97.99136	0.5
99.00875	1.6
101.02427	1.4
113.02438	8.0
117.03470	0.5
127.55928	0.5
151.00371	0.8
161.04558	0.6
173.04514	2.9
175.02486	3.3
191.05595	1.4
229.39317	0.6
262.82153	0.5
269.04523	22.5
270.04868	1.3
371.72171	0.6
433.20480	1.5
445.07657	3.9
493.22964	1.1
535.24097	0.8
535.31061	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	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03445	0.5
59.01377	8.9
59.62489	0.3
61.98830	1.7
63.09126	0.3
65.07407	0.3
68.75405	0.3
69.03465	0.4
69.19780	1.1
69.20206	2.1
71.01378	4.3
72.99326	0.4
73.02948	1.6
80.02689	0.4
83.01385	1.4
85.02949	2.0
87.00888	0.6
89.02431	1.2
93.03465	0.9
96.95999	2.8
97.02948	0.6
97.06573	0.4
99.00861	0.9
101.02439	3.2
108.02167	28.6
109.02975	0.5
113.02457	1.2
115.00355	0.3
116.92857	0.4
119.03483	0.4
123.04516	11.8
133.02971	0.6
133.10184	0.7
135.11778	1.1
152.01144	54.3
153.01527	1.3
155.03517	0.3
159.08305	0.4
161.09724	2.8
163.03935	0.4
167.03484	100.0
168.03854	1.9
173.04584	1.8
174.01663	0.4
175.02431	0.8
177.01924	0.6
179.10754	5.9
185.11748	0.4
191.05569	1.5
195.96548	0.3
203.10767	0.7
208.01709	0.3
209.04495	0.4
223.09682	0.4
229.08705	0.4
231.10190	0.4
245.11848	0.3
247.09767	0.6
259.40527	0.3
265.10825	1.3
285.20663	1.0
289.10812	1.3
307.11884	0.8
311.16400	0.3
355.24991	0.6
367.13962	2.3
373.26169	1.7
405.11444	0.4
508.39935	0.4
535.19537	2.0
535.31244	19.7
536.31384	0.8
562.30811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
61.55710	0.2
61.98831	1.0
69.23905	1.5
69.24306	0.7
71.01368	1.9
73.02953	0.8
83.01392	0.9
83.05020	0.3
85.02951	1.2
87.00898	0.3
89.02438	0.4
93.03486	0.4
101.02434	1.3
108.02168	23.9
109.02459	0.3
111.04478	0.3
113.02409	0.6
123.04518	12.6
133.10164	0.4
134.03743	0.8
135.11818	0.8
149.62331	0.2
151.04047	0.3
152.01140	54.3
153.01532	0.8
159.08099	0.3
161.09715	2.2
167.03481	100.0
168.03801	1.8
173.04544	0.8
175.22697	0.3
177.01871	0.3
179.10767	4.1
191.05591	0.6
193.05092	1.2
203.10704	0.4
205.08699	0.3
223.09744	0.8
229.08807	0.5
231.10181	0.3
247.09746	0.5
265.10825	0.7
289.10727	0.4
300.26807	0.2
307.11847	1.3
311.07834	0.3
329.08435	0.4
367.13901	2.0
431.26431	2.0
449.27625	0.4
491.19043	0.5
534.29614	0.6
535.17950	2.4
535.30872	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	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
58.00578	1.3
59.01371	6.9
61.98834	5.5
66.03475	5.1
67.01855	1.0
68.01424	1.3
69.22284	6.8
70.02978	10.5
71.01376	12.8
72.00879	0.7
72.99313	5.0
73.02941	13.2
75.00864	4.6
82.02967	2.8
84.04533	1.4
85.02940	2.2
86.02502	1.4
87.00878	4.2
89.02411	1.6
93.02950	0.7
93.03431	4.4
94.03898	0.7
96.04552	3.3
96.95977	1.0
97.06596	0.8
98.02473	62.6
99.00871	1.0
100.04033	5.0
101.02425	2.0
103.00393	1.2
105.01932	3.2
110.50971	0.7
111.00796	0.9
111.04491	1.1
112.04027	1.6
112.67482	0.7
113.02473	1.2
114.01982	1.5
115.00336	0.9
116.00914	0.7
123.08145	3.4
124.05256	1.3
128.03508	1.2
130.05070	3.0
135.02982	3.3
137.02429	1.0
147.03017	3.9
155.03413	0.9
155.10770	2.3
171.10223	1.4
173.04544	11.7
174.04852	1.7
191.05588	4.1
209.15424	1.0
225.11354	0.8
227.16533	1.8
251.16551	2.6
253.09178	1.1
288.19849	0.9
292.19073	1.2
354.22824	0.9
360.14410	1.3
360.23907	17.4
361.24054	1.0
366.22800	1.4
384.23898	12.0
446.24203	0.9
490.26556	100.0
491.26874	5.7
534.25092	12.0
535.20148	2.0
535.27594	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	533.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.4
61.98812	0.3
69.96943	1.2
78.95910	6.8
85.06601	0.8
96.06632	0.3
110.98537	5.6
155.14427	0.6
163.11366	0.4
165.12880	1.4
167.01141	2.5
174.63930	0.3
181.12306	0.7
185.02165	4.9
197.97017	0.4
199.13406	19.8
261.18671	0.4
278.95999	0.3
279.19662	7.5
280.19928	0.4
291.40503	0.4
347.25906	6.3
363.25525	0.4
365.26950	100.0
366.27301	5.1
504.41559	0.5
533.28833	26.2
534.29071	1.7
541.74927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01379	63.1
61.98829	100.0
71.01379	17.3
72.99301	3.4
73.02944	12.2
73.03609	0.8
75.00860	2.2
83.01373	2.7
85.02941	4.3
87.00877	1.5
89.02436	5.9
93.03471	1.9
95.05022	1.6
96.95995	3.9
97.02956	1.4
98.02478	1.7
98.19925	2.3
99.00875	1.6
101.02438	10.1
109.06619	1.0
111.04468	1.4
112.45086	0.9
113.02460	7.0
113.06068	1.8
119.03497	1.6
121.64108	0.8
123.08138	1.3
125.06093	1.0
125.20195	0.8
136.05222	1.1
138.06863	8.7
139.07642	3.6
143.03471	1.2
151.07611	8.6
152.04741	1.2
152.08411	14.2
153.09210	58.6
154.09563	1.2
155.03513	1.0
155.11028	1.0
161.04500	3.6
165.09167	0.9
173.04485	4.0
190.09898	1.1
191.05609	2.1
203.05675	1.9
205.12325	21.3
223.11340	1.5
223.13388	18.9
225.11348	0.9
285.03925	1.2
293.08582	1.2
306.07565	1.0
313.10745	0.9
360.23987	1.0
367.17587	19.2
383.11523	0.9
385.18655	5.5
427.19696	31.0
427.25540	1.7
428.19876	1.4
505.27438	0.9
534.26746	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	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01764	0.2
57.03444	0.3
58.00591	0.3
59.01070	0.7
59.01375	18.4
61.98827	100.0
64.26494	0.2
69.03479	0.3
69.24712	2.4
71.01379	8.1
72.99311	0.9
73.02941	7.1
75.00858	0.6
75.55689	0.2
83.01388	2.7
85.02959	1.8
87.00891	1.1
89.02437	3.5
93.03465	0.6
95.01399	0.4
96.96022	0.6
98.20732	0.3
99.00873	0.5
101.02433	9.4
102.48859	0.2
105.01887	1.3
113.02440	3.8
119.03487	1.7
131.03522	0.5
143.03506	1.0
147.08270	0.3
149.04514	1.8
153.09184	1.3
155.03464	0.3
161.04549	3.8
164.25134	0.3
173.04564	1.7
179.05536	0.5
185.43866	0.3
187.11186	0.3
191.05664	1.3
203.05533	0.5
205.12312	3.2
221.06702	0.8
223.13391	0.6
244.45088	0.3
298.16751	0.4
361.18747	0.4
367.17563	3.3
372.27417	1.5
385.18774	2.0
414.22510	0.5
427.19696	8.4
428.22830	0.8
484.23239	0.5
534.25983	0.6
534.33453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68277	0.7
57.03425	2.2
58.00574	0.9
58.28246	0.7
59.01379	9.0
59.44803	0.6
59.93910	0.7
61.98831	19.4
62.10388	0.6
62.30035	0.6
65.03966	2.3
66.03481	5.1
66.93182	0.8
67.01881	1.1
68.01393	1.9
68.42601	0.6
68.99781	0.8
70.02972	12.0
71.01007	1.0
71.01377	16.6
71.55791	0.9
72.99310	5.6
73.02946	14.0
75.00864	8.5
81.03418	1.4
82.02979	2.2
83.05014	1.7
84.04553	1.3
84.50885	0.8
85.02943	4.5
86.02468	1.6
87.00867	4.2
89.02438	2.6
93.03448	3.4
94.02968	1.7
94.79411	0.6
96.04533	4.4
96.96008	4.5
98.02473	64.7
99.00893	1.6
99.02741	0.7
100.04044	5.3
101.02430	2.8
105.01924	2.2
109.06595	1.5
111.00853	2.0
111.04510	1.3
112.04028	1.9
112.98790	1.5
113.02448	2.0
114.01975	1.2
115.00333	1.5
119.03476	1.1
119.04991	0.6
128.03490	1.2
129.01907	2.6
130.05096	2.6
135.02971	2.6
135.04547	1.4
137.09737	0.7
137.31114	0.8
147.02983	1.5
155.10741	0.9
155.64124	0.7
161.04546	0.8
163.04018	0.8
171.10226	2.7
172.10597	1.2
173.00864	1.1
173.04526	8.7
191.01817	1.3
191.05615	5.0
192.06018	0.6
199.09668	1.1
209.11745	1.2
209.15439	2.1
210.12149	1.1
210.15717	1.1
218.12550	0.7
223.60753	0.7
225.11298	1.1
225.14926	0.7
227.16602	4.0
233.15411	1.2
235.13284	0.9
236.13651	1.6
251.16492	2.4
253.09233	2.3
254.09657	1.0
276.19580	1.1
360.23871	14.5
366.22791	2.4
373.14789	0.8
384.23917	17.6
409.20871	0.7
414.21280	1.2
446.24103	1.2
462.21091	1.2
472.22787	1.2
474.23441	2.3
490.26535	100.0
491.27124	6.1
534.25165	14.4
535.19952	1.8
535.27576	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03439	3.0
59.01381	100.0
61.01805	1.2
61.19064	1.1
61.98834	7.7
69.03456	1.7
69.88981	7.0
71.01382	46.6
71.74260	1.4
72.99305	3.5
73.02949	19.8
73.13789	1.3
75.00861	1.9
82.95427	1.8
83.01395	7.0
85.02950	21.6
87.00875	3.4
89.02433	12.1
93.03452	4.7
95.01395	1.9
96.96034	7.5
97.02947	2.7
98.20512	1.9
99.00865	13.8
101.02446	22.4
111.00906	2.9
111.04531	2.0
113.02455	20.2
116.92773	1.3
119.03470	2.1
119.05030	1.8
125.02444	3.9
129.01952	1.9
131.03497	2.2
132.64253	1.2
135.04500	1.6
135.28357	1.1
137.02385	2.1
143.03485	2.1
155.03441	1.3
159.02954	3.6
161.04556	11.3
163.04034	1.5
171.10318	1.5
173.04543	10.9
191.05597	8.9
199.07616	1.9
201.03906	1.3
205.03589	1.9
212.76782	1.3
219.56586	1.2
236.16315	1.6
285.04187	2.8
311.22195	2.7
313.03308	1.3
315.18289	6.9
357.19043	3.2
359.14960	2.9
383.73441	1.3
392.69711	1.4
429.21042	2.1
447.22311	34.1
448.22729	1.6
489.23364	87.5
490.23776	6.3
533.21686	2.0
533.29419	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	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01368	1.5
67.01893	0.3
71.01372	1.0
71.17198	0.5
73.02934	0.5
81.03443	0.3
83.05022	0.4
83.24673	0.2
85.02949	9.0
87.00858	2.9
88.88091	0.2
93.03462	2.9
97.64244	0.2
99.04519	0.5
109.02955	1.0
111.04517	0.8
111.82636	0.3
113.66359	0.3
122.49154	0.2
127.03999	2.2
129.01932	1.9
137.02534	0.3
163.70668	0.2
171.02986	0.7
173.04550	1.2
191.05598	100.0
192.05946	2.1
439.24551	0.3
522.01868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47696	0.3
59.01376	9.1
61.98825	6.8
69.48759	1.8
70.47270	0.3
71.01375	3.4
71.30606	0.2
72.61829	0.2
72.99300	0.7
73.02941	1.6
75.00871	0.6
79.68913	0.2
79.95730	2.2
82.95404	0.7
83.01380	0.6
84.95108	0.5
85.02925	1.4
87.00858	0.6
88.98765	0.4
89.02434	1.7
93.03445	1.0
96.50980	0.3
96.96005	100.0
97.95912	0.4
98.02496	0.3
99.00889	0.4
101.02429	2.4
106.96198	0.2
113.02447	1.6
113.99612	0.3
114.93395	0.4
115.00386	0.3
116.92875	0.4
119.03480	0.7
119.05048	0.3
121.02954	1.3
122.03185	0.3
125.02401	0.4
128.03574	0.3
129.01959	0.4
135.04561	0.5
138.06868	0.6
139.07635	0.3
140.91084	0.3
147.02995	0.4
147.04439	0.3
151.07617	0.3
152.08484	0.6
153.09189	3.8
156.00592	0.3
161.04556	1.1
163.11238	0.3
165.05473	0.4
171.10292	1.3
173.04498	1.9
174.01657	0.6
179.05605	0.4
191.05632	1.3
199.09862	0.6
201.11308	0.7
203.49121	0.3
205.12341	1.3
207.10292	0.5
209.11809	0.5
223.13380	1.3
225.11275	0.5
253.09300	1.0
285.04156	0.5
306.07611	0.9
327.05060	0.9
357.06375	0.5
359.21051	0.4
367.17648	0.9
396.90115	0.3
427.19653	1.4
434.22443	0.3
435.18649	0.5
446.84158	0.3
461.20581	0.7
490.26306	0.4
501.72629	0.3
533.22638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99102	4.9
59.01371	46.1
61.98812	16.0
62.12057	4.8
67.23571	4.7
67.49202	5.6
69.37587	39.2
71.01370	8.7
73.02945	7.5
83.24333	5.2
87.00851	6.8
89.02439	7.8
93.03449	12.8
96.96008	100.0
98.95597	26.5
101.02495	8.4
105.03460	8.4
111.04544	8.2
119.05032	9.7
128.03481	5.7
133.02945	54.0
135.04562	6.8
173.04546	40.6
174.04659	6.3
177.01886	43.1
190.22797	4.9
191.05606	17.0
195.76535	4.7
209.11792	71.2
227.12842	19.1
253.09131	12.1
273.21356	5.1
275.09222	7.4
330.24484	5.0
339.08505	5.8
351.07031	6.1
370.12662	7.7
445.20728	6.3
463.21756	11.7
471.28601	15.7
531.21924	48.9
531.28772	5.9
532.21918	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	533.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89992	0.5
51.52113	0.5
57.03445	1.3
58.39554	0.6
59.01378	5.3
67.01884	0.6
67.48743	0.6
71.01368	3.0
71.54367	1.0
83.01395	3.9
85.02949	8.2
87.00885	3.6
87.57372	0.5
89.02446	1.3
93.03432	3.1
99.00880	1.1
99.04504	1.1
101.02450	1.4
108.02159	1.5
111.04533	0.8
115.00369	1.3
117.01998	0.5
123.04548	1.5
124.01748	0.7
127.04052	1.1
129.01947	4.5
131.05040	1.9
133.02916	0.6
134.03752	1.7
134.04701	0.8
135.04494	1.6
137.02444	1.0
147.02982	1.2
147.04512	1.6
148.05293	30.8
149.05960	1.2
150.03194	0.7
160.05280	1.2
161.02458	1.3
161.06058	1.5
162.03149	1.6
163.03957	1.1
163.07645	26.2
164.04816	0.8
164.07971	0.7
172.05305	1.0
173.04691	1.4
173.06123	1.5
175.04013	2.0
177.05566	3.7
178.06332	1.6
179.07220	0.8
187.07616	1.3
189.05544	2.1
190.06335	11.5
191.02089	3.5
191.05597	100.0
192.04265	2.4
192.05978	1.8
193.08679	2.0
195.06642	0.7
204.04260	1.2
205.08673	10.1
207.06627	8.4
217.08673	2.7
219.06598	5.3
221.08308	0.6
231.06616	1.3
235.06087	1.7
237.07657	2.1
249.07707	0.7
251.05568	6.1
265.10742	1.1
291.08618	0.6
293.06622	1.7
309.09793	1.8
318.73480	0.7
327.10834	10.3
353.08847	5.8
413.10831	12.5
414.11569	0.7
455.08658	0.9
515.14166	0.8
533.15039	26.0
534.15369	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	531.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.5
61.98826	2.3
69.50374	3.5
69.50794	7.9
71.01390	3.7
74.40882	1.4
79.95755	2.4
82.95426	7.6
83.01383	1.7
84.95116	41.9
85.02966	2.2
89.02450	2.4
93.03448	4.7
96.96008	100.0
100.04061	3.6
101.02438	1.7
105.05742	1.5
109.02964	1.7
113.02449	2.7
119.05014	26.3
133.03026	2.1
135.04555	2.4
140.18779	1.6
173.04543	9.1
177.01991	1.8
191.05605	7.0
206.08305	2.3
209.11845	18.7
219.40553	1.6
227.12877	3.0
253.09113	3.3
254.57672	1.8
267.93689	1.5
275.89511	1.7
427.68402	1.7
445.20633	4.2
463.21817	2.2
471.28574	21.6
487.18378	1.6
531.22510	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	530.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27783	0.4
52.67796	0.4
57.03439	2.5
57.33205	0.4
59.01374	4.0
60.99300	1.0
61.98821	5.4
67.01880	6.1
69.03451	0.9
70.68360	1.6
71.01370	4.7
71.05014	3.4
72.99290	0.5
73.02928	0.7
80.96519	0.7
81.03452	6.9
82.95400	5.9
83.01369	0.5
83.05022	33.2
84.35238	0.5
85.02961	2.4
85.06570	0.7
86.02480	1.5
87.00874	3.7
91.33479	0.5
93.03452	34.1
96.96001	3.3
98.19956	0.6
99.00859	0.7
101.02426	0.8
101.06075	2.5
106.88185	0.5
109.02946	1.4
110.06126	0.9
111.00864	1.1
111.04516	8.6
113.02451	0.6
113.06076	1.1
113.09708	0.9
114.09231	0.8
118.77671	0.5
121.02932	1.0
127.00412	0.5
127.04007	3.4
131.07132	4.4
133.02878	0.6
135.04579	0.9
137.02428	3.5
137.09674	0.6
139.07623	4.4
142.08723	2.4
143.07108	0.7
143.10756	2.7
144.10312	0.6
145.05061	6.7
147.04422	0.7
155.03481	6.1
156.10275	0.6
157.08694	9.7
161.02240	0.6
173.04529	100.0
174.04854	1.9
174.11331	2.0
183.10243	0.6
185.11771	0.8
186.11420	0.6
188.09299	5.5
191.05592	12.4
197.11876	1.8
199.09807	4.9
215.12987	0.7
215.80960	0.5
216.22200	0.5
224.12865	1.2
228.16096	0.6
242.13924	4.4
251.06958	0.7
285.03513	0.6
308.18802	0.8
320.12469	0.5
327.05023	1.7
328.05380	1.5
338.19702	2.5
339.04913	1.3
356.20740	34.6
357.21188	2.2
447.09119	1.8
448.09479	1.3
449.14554	1.0
530.26050	44.2
531.26599	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	529.302
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03444	2.1
59.01379	10.9
67.01884	0.5
68.99821	1.1
69.03457	1.2
70.41524	1.5
71.01378	15.7
72.99302	4.8
73.02940	1.5
75.00872	15.5
83.01379	1.3
85.02945	20.7
87.00880	6.8
89.02438	4.7
90.81596	0.5
91.04017	0.4
95.01384	4.9
98.19933	0.4
99.00871	9.1
101.02454	0.8
103.00381	2.8
111.00872	0.8
113.02448	28.4
115.00368	1.6
117.01942	3.1
129.01897	1.0
131.03452	0.5
157.01430	0.9
173.04565	0.5
175.02478	3.6
193.03453	0.7
205.07176	2.0
223.08211	1.2
231.05119	0.5
249.06146	8.8
267.07175	6.1
277.21774	0.5
279.23270	57.8
280.23657	2.0
281.10565	0.5
309.20297	0.5
469.28171	0.6
488.12238	0.4
511.29111	1.9
529.30151	100.0
530.30475	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.82309	0.2
57.03449	0.5
57.54329	0.2
58.00607	0.2
59.01376	8.6
63.92178	0.2
69.03481	0.3
69.70667	1.0
71.01380	6.4
72.99292	0.3
73.02946	1.0
75.23162	0.2
81.03449	0.2
83.01390	0.6
83.05034	0.2
85.02950	1.3
87.00882	0.6
89.02442	6.0
91.04002	0.2
93.03461	0.5
95.01383	0.4
95.05074	0.3
97.06606	0.2
99.00897	0.3
101.02435	7.2
111.08164	0.4
113.02460	3.8
113.09717	0.4
113.21381	0.2
114.20354	0.2
119.03500	2.0
131.03441	0.3
138.22479	0.2
140.07903	0.2
143.03534	0.7
149.04588	0.3
161.04541	3.4
166.71074	0.2
167.10744	0.3
173.04553	0.6
177.12851	0.4
179.05566	1.4
179.14417	0.8
181.12306	0.4
191.05812	0.2
195.13892	8.6
196.14590	1.2
205.12318	0.6
205.15945	0.4
211.13426	0.3
223.13377	5.5
224.13736	0.2
228.13638	0.6
231.21161	0.4
233.07251	0.2
235.08034	0.2
253.09273	35.4
254.09573	1.0
256.13080	1.2
265.21790	0.4
275.20135	6.1
276.20450	0.3
293.21207	100.0
294.21548	4.8
355.15311	0.2
422.68948	0.3
432.19196	0.2
492.22125	0.9
529.29913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40070	0.2
57.03456	0.3
57.39555	0.2
59.01376	7.6
70.50609	0.4
70.50967	0.5
71.01376	5.2
73.02952	0.9
78.86761	0.2
83.01390	0.7
85.02953	1.0
87.00880	0.7
89.02442	5.4
94.15302	0.2
95.01391	0.3
95.05074	0.4
98.20512	0.2
99.00900	0.3
101.02432	6.2
111.08163	0.5
113.02439	3.1
113.09706	0.3
119.03500	1.4
131.03447	0.3
143.03493	0.7
149.04474	0.2
161.04536	3.3
167.10844	0.3
177.12827	0.2
179.05612	0.8
179.14395	1.0
181.12325	0.3
195.13893	9.2
196.14615	1.1
205.12375	0.6
205.15987	0.4
211.13339	0.4
223.13371	6.7
224.13994	0.3
228.13541	0.4
231.21216	0.6
235.08165	0.3
235.16884	0.4
249.22029	0.3
253.09268	30.6
254.09656	0.7
256.13138	1.3
263.93311	0.2
265.21652	0.4
275.20151	6.3
276.20499	0.4
293.21204	100.0
294.21542	5.1
492.22021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36581	0.3
50.79118	0.4
55.87383	0.3
58.00589	0.6
59.01378	15.2
60.11580	0.4
61.98823	0.5
69.64624	0.7
69.65035	1.4
71.00031	0.4
71.01382	7.3
71.05020	2.1
73.02931	1.5
83.01395	0.7
83.05016	0.7
85.02954	2.4
87.00861	1.1
89.02444	7.4
93.03458	0.9
95.01380	0.6
97.06599	0.4
99.00850	0.5
101.02443	8.7
111.04499	0.5
113.02448	4.5
119.03515	2.1
133.02959	1.8
134.03741	11.4
135.04527	7.4
135.11777	0.8
137.02432	1.1
143.03522	0.5
155.03508	1.2
157.08670	1.2
161.04521	4.1
163.03932	0.8
168.11609	0.4
173.04532	1.8
177.01872	1.3
177.12837	3.2
177.16461	0.8
178.02718	4.6
179.03485	1.7
179.05569	1.2
183.13834	0.8
191.05582	1.0
191.18044	0.6
197.15591	0.5
209.15526	0.9
217.15987	0.5
219.10306	0.5
231.21205	2.7
233.15387	0.5
235.08275	1.5
235.17018	43.6
236.17380	1.8
249.18596	1.2
253.09267	42.1
254.09613	1.3
275.20139	67.8
276.20514	2.3
281.85135	0.4
293.21216	100.0
294.21570	4.2
352.08054	0.7
355.15506	17.8
356.15848	1.2
529.20551	0.7
529.28357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38072	0.5
52.05130	0.5
59.01377	6.1
61.98821	1.1
70.50940	1.1
71.01369	2.8
71.05019	0.7
83.05022	1.5
85.02952	1.1
87.00858	1.1
89.02450	2.2
93.03467	3.3
96.96044	0.7
101.02431	2.8
107.04967	0.9
109.02955	0.7
111.04523	4.0
113.02436	1.7
119.03518	0.7
119.05000	0.7
133.02945	3.3
134.03749	66.1
135.04536	35.1
135.08147	0.8
136.04903	0.6
137.02452	1.9
155.03474	4.4
159.11803	1.5
161.02480	0.6
161.04573	1.2
162.03265	1.3
163.04007	1.8
169.12355	1.0
173.03127	0.8
173.04564	9.2
177.01886	0.8
177.12849	23.9
178.02733	5.0
179.03497	1.5
183.13892	1.0
191.05580	1.3
197.11847	9.2
212.05417	0.5
224.06966	0.6
227.12833	0.6
249.18633	4.6
253.09328	11.5
274.98239	0.6
275.20135	7.7
292.19879	0.8
293.21243	34.4
294.21600	1.0
355.15497	100.0
356.15765	5.2
440.69885	0.6
509.16049	0.6
529.21051	2.9
558.95380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78151	0.7
59.01385	6.7
59.94323	0.7
61.98822	2.0
69.03437	0.6
71.01384	3.7
71.05041	0.8
71.10356	1.9
73.02950	1.0
83.05028	2.2
85.02941	1.4
87.00866	0.7
89.02438	3.0
93.02959	0.8
93.03428	4.4
95.05047	0.7
96.96035	1.8
97.06653	0.8
101.02438	2.6
102.84885	0.7
107.05032	0.9
107.12144	0.6
111.04498	3.2
113.02431	1.1
119.05025	1.7
133.02977	3.3
134.03746	56.6
135.04532	32.7
135.05360	0.5
136.04884	0.9
137.02438	1.6
146.51785	0.9
155.03525	4.4
159.11798	2.3
161.04504	1.5
162.03220	1.9
163.03958	1.3
165.12886	1.0
173.04555	8.2
177.12856	23.0
178.02725	3.7
179.03453	3.2
179.05504	0.9
183.13902	4.8
191.05653	1.7
197.11807	5.1
201.11264	1.0
202.95474	0.7
209.11835	2.3
211.13301	0.9
227.12862	1.6
249.18588	6.9
253.09276	12.3
275.20181	9.4
293.21228	36.2
355.15503	100.0
356.15903	4.4
474.56458	0.8
511.29111	1.3
520.67328	0.7
529.20703	3.2
529.28961	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	527.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41212	25.4
70.12601	50.4
70.12965	100.0
82.95419	39.6
88.99616	28.8
110.98630	28.9
183.99155	25.4
185.02287	34.4
186.57172	28.0
255.23232	48.4
288.68530	25.7
306.10178	26.0
415.23859	28.3
490.43936	27.7
527.29669	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63776	0.3
54.00624	0.3
55.01877	0.5
57.03438	0.7
58.00614	0.4
59.01381	100.0
60.01726	0.4
66.91726	0.3
69.03473	0.7
69.24001	2.2
69.24414	0.7
71.01384	13.3
72.33376	0.3
72.99303	0.4
73.02943	3.6
78.95913	0.6
83.01390	1.9
85.02953	5.3
87.00899	1.1
87.04504	1.9
89.02450	5.1
93.03481	0.6
95.01399	1.7
96.96027	0.6
97.02957	0.3
99.00879	1.4
101.02451	9.8
101.06067	3.6
109.06656	0.3
110.98544	0.6
111.00895	0.6
113.02453	7.2
119.03524	1.4
124.01687	0.7
125.02447	1.0
143.03525	1.0
147.17685	0.3
161.04567	5.7
171.10274	2.9
173.04547	1.1
179.05641	0.7
185.02246	0.5
191.05635	0.4
199.09787	0.7
207.10278	0.8
209.11829	0.6
225.11461	0.6
253.09312	0.4
269.04529	0.5
291.19781	1.0
323.25940	2.9
339.12201	0.4
342.12100	0.4
353.13593	0.4
365.27231	1.2
419.28204	0.4
431.28107	0.4
467.30142	18.4
468.30252	1.8
485.31186	14.2
486.31583	0.8
504.25003	0.3
527.19244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
67.95130	0.2
69.32270	1.3
71.21150	0.2
79.95737	2.7
87.14291	0.2
93.03455	0.4
96.96014	100.0
97.95998	0.2
98.20654	0.3
106.49038	0.2
110.47179	0.2
117.58285	0.2
171.36992	0.1
173.04527	0.9
220.70128	0.2
239.84732	0.2
246.16689	0.2
311.05643	0.3
355.08560	0.2
431.09888	0.2
555.69733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.03205	1.0
69.58320	6.6
76.45803	1.1
78.95840	1.8
85.02946	1.3
88.98795	4.7
93.03434	3.3
99.54726	1.3
104.95557	1.2
106.24297	1.4
111.04499	1.5
113.02410	1.3
113.46591	1.3
119.05021	46.0
144.03069	1.3
155.03450	1.9
163.03998	100.0
164.04303	2.1
173.04530	5.0
187.06071	5.6
187.10852	3.6
191.05600	12.2
205.53706	1.2
248.14220	1.2
337.09259	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61345	1.2
55.79289	1.1
57.03433	2.4
59.01376	15.2
60.50231	1.2
61.98818	4.1
62.21286	1.3
69.03440	1.3
69.52492	1.2
69.52847	8.4
71.01387	13.5
72.99294	5.3
73.02911	1.4
75.00867	12.0
78.90894	1.2
85.02950	18.4
87.00890	4.8
87.63702	1.1
89.02409	4.0
95.01370	3.3
99.00869	5.8
103.00368	2.7
113.01708	2.1
113.02452	28.4
115.00332	1.2
117.01923	2.7
129.01921	1.9
152.99522	2.3
175.02385	1.8
249.06117	5.0
267.07297	8.0
277.21710	49.1
436.58630	1.5
527.28595	100.0
528.28607	6.5
552.48810	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
56.48582	0.2
57.03448	1.2
59.01376	6.0
61.98817	0.4
69.03430	0.4
69.21804	0.2
69.22126	2.0
71.01377	3.4
71.05022	2.0
72.99293	0.3
73.02937	0.7
81.03443	0.3
83.01372	0.4
83.05035	0.4
85.02930	0.9
87.00851	0.5
89.02450	3.5
90.96911	0.2
93.03460	0.2
95.05009	0.4
97.02959	0.2
97.06586	0.9
98.19852	0.3
101.02431	4.1
109.06612	0.4
111.08154	6.4
113.02451	1.8
113.09722	0.5
119.03508	0.9
123.08178	0.2
125.09740	0.2
133.06630	0.2
135.11766	0.4
137.09734	0.7
139.11276	0.3
143.03500	0.4
149.09697	0.3
158.94989	0.2
161.04529	1.4
162.91089	0.2
165.90044	0.2
166.59604	0.2
167.10760	1.3
171.10278	0.6
171.35779	0.2
173.04546	0.2
177.12823	1.2
179.05580	0.6
179.10771	1.4
181.12445	0.2
191.05490	0.2
193.15932	0.2
195.13892	4.2
197.11717	0.2
207.13855	0.3
209.11754	0.3
219.13861	0.3
235.08267	0.3
235.17082	0.3
237.37263	0.2
247.20711	1.7
253.09271	17.8
254.09612	0.6
273.18665	1.2
291.19641	100.0
292.19980	4.4
527.19934	0.4
527.28577	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	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03457	1.1
59.01382	4.8
63.54068	0.2
64.83077	0.1
67.48408	0.2
69.03458	0.3
71.01380	3.4
71.15380	0.2
71.15717	0.3
72.99323	0.2
73.02953	0.7
81.03475	0.2
83.01404	0.4
83.05036	0.6
85.02950	0.7
87.00888	0.4
89.02445	2.7
93.03461	0.4
95.01409	0.3
95.05045	0.4
97.06596	0.6
97.99905	0.2
99.00919	0.3
101.02445	3.4
109.06593	0.4
111.07389	0.2
111.08164	4.6
112.03339	0.2
113.02451	1.7
113.09731	0.3
119.03511	0.8
119.49962	0.2
121.10236	2.1
123.08177	0.4
125.09734	1.9
127.11288	0.2
133.05034	0.2
135.11752	0.2
136.59129	0.2
137.09686	0.3
143.03525	0.3
147.08186	0.2
149.09711	0.3
151.11244	0.3
153.09183	0.3
153.12846	0.3
155.10822	0.2
161.04585	1.4
167.10773	1.2
171.10321	0.9
173.04581	0.3
177.12854	1.3
179.05579	0.4
179.10783	1.2
182.23627	0.2
185.11856	2.6
188.36368	0.1
193.15959	0.3
195.13911	3.9
197.11821	0.7
203.14342	0.3
209.11829	0.7
211.13425	0.4
223.13260	0.2
225.11177	0.2
235.08192	0.5
247.13403	0.2
247.20612	1.6
253.09294	15.8
254.09671	0.2
263.20206	0.9
273.18637	1.8
291.19659	100.0
292.20013	4.5
313.73257	0.2
339.12000	0.2
347.98901	0.2
527.28583	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	527.2522
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
50.94977	0.7
52.51803	0.6
59.01371	1.6
61.98822	1.1
71.01384	5.6
71.56467	1.0
73.02950	0.7
78.98581	5.0
79.95726	8.1
80.96513	50.9
81.03456	0.8
81.18076	0.7
85.02942	2.7
87.00848	2.4
94.98082	12.3
96.95982	1.5
97.02964	1.0
101.02436	2.4
106.98067	2.3
122.97574	4.2
125.02436	3.3
127.04006	1.4
134.97615	3.4
148.99094	4.8
152.98618	5.2
164.98627	10.1
182.99631	2.3
206.99661	3.1
225.00714	15.3
227.20154	2.8
243.01756	1.7
299.04330	2.7
309.76407	0.7
527.25262	100.0
528.25623	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38913	0.4
57.03458	2.3
59.01374	12.3
61.22596	0.4
61.98816	0.6
67.01874	0.7
68.99810	1.4
69.03450	0.6
71.01376	12.7
71.40331	0.9
72.99311	5.1
73.02916	1.0
75.00869	13.6
78.95884	3.0
82.65162	0.5
83.01394	0.5
84.43866	0.5
85.02946	14.8
87.00876	4.9
89.02425	2.6
93.03448	0.5
95.01385	3.1
97.02940	0.7
99.00869	8.5
103.00378	1.7
103.14377	0.4
104.16049	0.5
110.98508	1.6
111.00876	1.0
113.02445	21.1
115.00378	1.5
115.36721	0.4
117.01920	1.9
129.01941	1.2
135.75026	0.4
146.06361	0.5
151.41966	0.5
157.01428	0.9
167.01131	1.4
175.02483	3.1
177.16753	0.5
185.02182	1.7
189.04025	0.6
205.07132	0.8
231.05069	1.6
249.06134	16.4
267.07175	3.5
277.21695	100.0
278.22079	4.9
354.61694	0.6
445.23563	14.9
446.23761	0.7
467.26691	0.6
509.27377	3.0
527.28571	94.9
528.29132	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
59.65814	0.7
63.96225	0.7
69.03442	0.7
71.01377	6.0
73.02943	1.8
78.42654	0.5
78.95895	0.9
78.98598	4.3
79.95737	7.8
80.96519	55.5
85.02925	2.4
87.00875	2.1
94.98090	12.4
95.01405	0.8
96.96027	0.9
97.02942	1.5
99.00892	0.7
101.02441	2.4
106.98104	2.9
122.97568	2.4
125.02437	2.7
127.04052	0.7
134.97589	4.4
135.04482	3.5
136.99086	1.4
148.99126	5.0
152.98601	4.1
161.02438	3.0
164.98642	12.3
165.12753	0.7
179.03523	5.2
183.13893	5.4
191.05426	0.6
206.99661	2.2
225.00755	20.1
227.12878	0.7
245.68938	0.6
257.52155	0.7
270.89835	0.6
299.04437	2.8
341.08765	1.3
365.16058	1.4
373.83246	0.6
416.01880	0.6
483.19208	1.2
509.16968	0.7
527.18024	100.0
528.18292	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	527.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.5
61.98829	100.0
64.43560	2.0
67.34205	1.8
69.36443	16.5
71.01375	30.2
72.99316	2.3
73.02934	5.8
78.11327	1.8
79.95739	2.7
80.96523	19.2
81.95295	2.8
82.95418	17.3
82.96096	8.6
82.96933	2.8
85.02946	7.6
87.00868	6.7
89.02438	26.7
93.03450	7.4
94.98087	4.1
96.96014	13.6
96.96994	1.8
99.00854	2.4
101.02435	19.2
101.03050	3.1
109.54423	2.1
111.04612	2.6
113.02448	8.2
119.03537	13.6
119.05016	34.6
125.02431	2.9
134.03906	2.8
134.97560	2.1
135.04550	3.1
143.03493	2.6
145.02946	2.5
145.07722	44.1
154.98160	2.2
161.04538	5.6
163.04010	44.5
164.98593	4.6
166.98289	2.1
170.07202	4.4
173.04491	17.7
179.05608	8.7
188.08275	83.1
191.05544	12.3
192.05992	3.3
212.85484	2.3
214.09790	14.4
221.06691	2.9
225.00685	3.8
225.11218	2.4
256.10931	2.9
304.12991	6.5
322.14029	6.5
325.09106	3.0
353.12329	3.4
398.53595	2.3
467.28415	3.2
484.19302	71.3
485.19653	6.0
527.16833	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46286	0.3
57.03445	0.4
59.01381	2.1
61.98822	3.1
63.56221	0.3
69.32668	2.4
70.70400	0.3
71.01380	1.4
71.04997	0.4
73.02950	0.4
77.31438	0.3
78.95895	0.7
81.03467	0.3
85.02947	0.7
87.00879	0.5
89.02442	0.4
93.03465	1.2
96.95996	2.4
98.20639	0.6
99.00885	0.5
101.02448	0.9
107.05013	0.7
113.02443	0.7
113.06116	0.4
117.03497	0.5
119.05034	0.6
121.02924	0.4
123.04565	0.4
125.02447	0.4
132.02167	0.5
133.02953	15.4
134.03745	2.3
135.04521	44.0
136.04855	0.8
137.09673	0.4
139.03999	0.8
155.03424	0.4
155.10876	0.4
157.12363	1.0
161.02432	100.0
162.02792	2.4
163.04001	0.6
167.03497	0.5
173.04562	1.8
179.03487	33.0
180.03864	0.7
185.11752	0.5
191.05566	2.1
193.01241	0.3
199.09753	0.3
203.12860	4.9
247.08186	0.3
255.35257	0.3
255.56184	0.3
256.07391	0.3
268.08459	0.4
269.04556	0.6
281.15195	0.3
284.07767	0.4
286.63107	0.3
287.54568	0.4
341.08878	0.4
353.13898	1.3
365.16006	51.1
366.16504	2.7
421.94067	0.3
451.16901	0.5
467.05557	0.5
467.15631	0.5
469.16174	0.4
483.41409	0.4
491.20450	0.3
492.31622	0.6
492.45279	0.4
514.26776	0.3
527.21307	5.9
528.20715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
60.20096	0.9
61.98829	100.0
67.88138	0.9
71.01376	2.5
78.95887	3.5
85.02938	1.4
89.02457	1.7
92.41454	1.0
93.03468	1.2
101.02438	1.7
109.02983	0.9
120.05940	1.1
125.02397	1.0
135.00876	1.0
153.01991	1.0
165.12837	4.9
173.04507	2.5
173.79063	0.9
183.13889	52.7
184.14223	1.5
191.05605	3.2
227.12804	4.4
253.09279	2.1
329.23148	1.7
330.60162	1.1
339.07156	2.6
463.21823	67.5
464.22113	3.4
526.27850	1.9
554.34412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42239	0.3
59.01379	0.9
63.96236	0.5
69.23666	1.4
69.24101	1.9
71.01379	5.0
73.02957	1.4
78.98591	4.4
79.95732	6.4
80.70526	0.3
80.96514	48.4
81.03473	0.9
83.01379	0.6
85.02934	2.0
87.00864	2.2
94.98080	11.4
96.95995	1.0
97.02948	1.5
98.19917	0.6
101.02456	2.6
106.98093	1.7
113.02460	0.6
117.55378	0.3
122.97590	4.7
125.02429	2.7
127.03962	0.8
134.97588	3.5
136.99135	1.3
147.37772	0.4
148.99152	4.8
152.98659	4.8
164.98631	11.1
167.00253	0.6
182.99655	1.7
183.13910	4.4
206.99661	3.2
213.15294	0.4
225.00725	19.5
226.01151	0.5
227.12843	0.6
243.01855	2.1
248.01961	0.4
278.94830	0.4
299.04395	2.0
443.21002	0.4
483.19214	1.0
509.16809	0.5
527.18005	100.0
528.18329	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	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55128	0.6
59.01376	5.0
61.98829	100.0
69.65961	2.6
69.66376	1.2
71.01398	2.6
75.63689	0.7
78.95912	3.2
83.01460	0.7
85.02972	1.1
89.02449	2.1
93.03487	0.8
101.02425	3.4
106.35285	0.7
109.06676	0.7
113.02443	1.1
120.54660	0.7
144.66000	0.7
152.99588	1.1
165.12880	3.4
173.04584	1.6
183.13904	38.9
184.14247	1.0
191.05676	1.0
209.11836	1.0
224.26549	0.7
227.12981	3.0
253.09311	2.6
281.29938	0.8
338.21036	0.8
407.18454	0.8
427.11642	0.8
463.21799	55.4
464.21854	3.5
526.27289	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	525.3066
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
55.01871	0.2
55.85295	0.1
57.03444	0.2
58.00589	0.3
59.01376	100.0
60.01723	0.3
60.75659	0.1
61.98829	0.5
64.81889	0.1
67.01926	0.1
69.03465	0.3
69.22529	0.5
69.22958	0.8
71.01378	11.4
72.99318	0.6
73.02944	7.4
75.00880	0.1
83.01382	2.2
85.02946	2.9
87.00899	0.4
89.02440	4.8
93.03461	0.2
95.01399	1.2
97.02941	0.3
98.01218	0.1
99.00859	0.2
101.02438	7.5
113.02444	10.0
119.03490	1.4
125.02464	0.2
131.03493	0.8
143.03514	0.7
149.04565	0.6
155.03481	0.2
161.04538	2.3
173.04546	1.2
179.05652	0.6
221.06635	0.2
289.18045	0.2
465.28455	1.1
483.29941	0.5
525.17603	0.1
525.27313	0.2
525.34875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01107	1.8
59.01385	27.6
61.98833	1.9
67.36196	1.1
69.27982	1.2
69.43607	3.7
69.44025	5.2
70.39443	1.1
71.01383	28.6
72.99304	16.9
73.02934	3.2
75.00877	57.1
83.01383	3.4
85.02953	11.3
87.00880	4.9
89.02441	17.4
95.01447	1.7
96.95977	3.4
99.00887	2.8
101.02445	17.6
109.02946	1.2
111.00864	2.9
113.02454	9.9
115.00376	3.9
116.05067	65.3
117.02007	1.1
119.03520	6.3
128.05072	17.3
130.06636	11.1
132.04570	1.8
135.03003	42.6
140.05069	2.3
142.06650	1.7
143.03471	1.5
144.04544	1.7
154.06638	3.0
156.04567	1.9
156.08156	6.4
157.05296	4.7
158.06117	81.7
159.06479	2.8
161.04568	19.8
166.06558	2.8
169.51546	1.2
170.06001	1.4
172.03993	3.4
173.04556	1.7
175.02466	5.0
179.05550	2.5
182.06056	1.4
184.07686	14.7
191.05614	9.3
193.26210	1.2
200.07253	1.5
210.05611	100.0
211.05930	2.8
212.07246	1.4
226.05150	4.9
246.07695	2.5
309.12350	2.8
320.11414	4.8
335.10196	2.1
364.14078	12.2
390.12027	8.6
406.11459	3.7
408.13004	83.7
409.13113	4.4
466.13284	1.8
470.14114	1.8
494.56821	1.3
510.93277	1.4
525.54187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03442	0.6
58.00579	0.9
58.37222	0.1
59.01376	100.0
60.01710	0.3
61.98817	0.8
69.03453	0.8
70.30869	0.4
71.01377	31.5
72.99303	1.2
73.02943	19.8
75.00898	0.4
81.03489	0.2
83.01381	5.3
85.02947	7.6
87.00861	1.1
87.04510	0.3
89.02440	13.2
95.01383	3.1
97.02935	0.5
99.00890	1.0
101.02435	20.3
102.02792	0.2
113.02444	24.7
114.02782	0.3
119.03493	4.8
125.02456	0.8
131.03506	2.1
143.03493	2.3
149.04561	1.4
155.03502	0.5
161.04544	6.0
161.05887	0.3
179.05577	2.1
188.33098	0.1
203.05586	0.2
221.06630	0.2
289.17892	0.2
311.10840	0.1
368.98169	0.1
465.28558	3.8
466.28625	0.3
483.23294	0.2
483.29605	2.5
501.86526	0.1
553.97278	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39861	0.3
59.01385	3.0
61.98831	10.2
63.96231	0.6
69.03456	0.6
69.41456	1.5
69.41872	1.0
71.01382	6.3
72.99313	0.4
73.02947	1.9
75.00871	0.9
78.98598	4.1
79.95743	7.2
80.96519	43.2
81.03436	0.7
81.41203	0.4
83.01402	0.5
85.02956	3.4
87.00880	2.3
89.02448	0.5
93.03455	1.0
94.62624	0.3
94.98090	12.0
95.01391	0.6
96.96022	2.0
97.02949	1.4
99.00874	0.9
101.02454	3.9
106.98111	2.2
109.02935	0.6
111.04526	0.4
113.02452	1.1
115.00333	0.3
116.92819	0.3
119.03527	0.3
119.05078	0.6
121.22863	0.3
122.97590	3.5
122.98418	0.5
125.02435	2.8
127.03993	1.1
134.03751	0.5
134.97591	3.6
136.99164	0.9
143.03551	0.4
146.97614	0.5
148.99135	5.2
152.98625	6.0
164.98628	9.2
167.00172	0.5
173.04541	2.7
175.02582	0.4
181.12334	1.0
182.99673	2.1
191.05609	1.8
197.11786	0.4
206.99706	2.8
207.10265	1.7
209.11888	0.7
210.12186	0.7
225.00737	18.3
225.11308	2.3
243.01724	1.3
263.81812	0.3
267.34778	0.4
286.04349	0.5
298.04742	0.4
299.04486	2.6
317.05386	0.5
321.12524	0.4
333.19205	0.5
342.06949	1.1
375.20264	1.2
393.21252	0.6
462.11517	1.7
465.22791	0.5
481.17441	4.9
489.30212	0.6
525.16492	100.0
525.25055	5.1
526.16797	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	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01383	5.4
59.07298	0.3
61.98830	1.0
69.95559	0.3
70.80241	0.4
70.80566	0.7
71.01388	4.4
72.01719	0.5
72.99329	0.3
73.02943	0.9
74.02502	0.3
78.95896	2.3
81.03462	1.0
83.01402	0.6
83.05015	2.7
85.02955	1.9
87.00888	0.5
89.02444	1.8
93.03437	1.9
94.24066	0.3
95.01418	0.4
96.96014	0.9
99.00874	0.6
99.04564	0.5
101.02442	2.9
102.02924	0.3
111.04525	0.4
113.02428	1.7
117.03471	1.1
119.05027	85.9
120.05363	1.7
133.02997	0.4
134.03773	0.6
135.04486	0.8
137.02425	0.4
137.09703	0.9
145.02956	4.7
149.04532	1.0
152.99579	0.7
155.10793	1.9
161.02455	0.8
161.04579	0.7
163.04007	100.0
164.04347	2.3
171.00610	0.6
173.04535	4.2
178.02715	0.7
179.03482	0.6
191.05589	1.5
197.11839	0.7
199.09755	4.8
209.11639	0.3
211.62440	0.3
217.10822	1.0
219.13144	0.4
243.17084	0.9
289.18161	0.7
325.09283	8.8
348.89481	0.4
351.20679	0.4
361.29617	0.4
362.29822	0.9
363.14484	5.6
483.24445	0.9
524.35492	8.7
524.85968	4.8
525.19519	6.9
525.26892	1.1
525.35675	5.4
526.19806	0.6
526.27618	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	525.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09231	0.2
55.01880	0.8
55.96877	0.3
57.03449	0.9
58.00598	0.7
59.01381	100.0
60.01724	0.4
69.03469	0.7
69.21864	1.0
69.22293	1.4
71.01383	30.1
72.99312	0.7
73.02949	13.2
73.58839	0.3
73.59224	0.3
75.00896	0.6
83.01392	4.2
85.02953	7.4
85.34193	0.3
87.00891	1.3
89.02445	13.3
95.01395	2.6
96.95972	0.3
97.02975	0.3
99.00896	1.1
101.02444	17.4
109.18101	0.3
112.77331	0.3
113.02453	22.4
114.02850	0.3
119.03510	4.7
125.02464	0.9
128.75488	0.3
131.03468	1.8
143.03514	1.9
149.04578	1.2
155.03549	0.4
161.04555	6.2
163.11343	0.9
167.74916	0.3
179.05597	2.2
191.14490	1.0
195.09428	0.3
221.06685	0.3
221.25104	0.3
245.19177	1.4
253.09283	2.3
263.79007	0.3
289.18106	12.1
290.18613	0.5
397.58450	0.3
465.28598	3.5
483.29529	2.0
525.27509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05445	0.5
56.12638	0.5
59.01381	3.8
61.98825	2.7
64.87447	0.5
70.07833	2.0
71.01385	3.2
72.99295	0.6
73.30083	0.5
75.00858	1.0
85.02943	2.4
87.00843	1.2
89.02456	1.0
95.01410	0.6
96.95980	0.6
98.20570	0.7
99.00890	1.1
100.23278	0.6
101.02435	0.9
107.01392	1.8
113.02444	2.2
114.74802	0.5
115.00345	0.5
121.02896	0.5
125.12077	0.6
133.02965	3.7
149.02461	1.2
151.00371	2.9
175.03986	1.8
185.92091	0.5
199.04002	1.4
201.08748	0.7
217.04999	1.4
227.12871	3.5
228.13132	1.0
241.05013	0.7
243.03088	0.6
253.09233	0.6
268.13104	1.1
285.04037	100.0
286.04315	4.2
297.04416	0.6
302.07626	0.6
312.11984	0.6
327.04987	1.1
357.06238	0.6
461.07242	43.1
462.07397	2.2
523.28082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74564	0.2
59.01370	0.8
61.98827	100.0
67.12613	0.2
68.53766	0.2
71.01399	0.5
72.69330	0.2
72.99301	0.2
75.00865	1.0
77.56482	0.2
85.02940	0.3
88.98829	0.2
89.02447	0.2
93.03471	0.4
96.96008	0.5
101.02426	0.4
107.99604	0.2
122.06054	0.2
132.04593	0.3
152.07198	0.8
159.44693	0.2
166.98013	0.2
173.04602	0.7
191.05620	0.7
197.11697	0.4
207.10245	0.2
209.11865	1.4
210.12234	1.0
225.11452	0.2
226.11790	0.3
228.13257	0.3
239.11734	0.3
253.09372	0.4
254.09648	0.2
258.38681	0.2
283.10907	0.6
285.04172	0.7
448.18918	0.6
461.07407	0.4
464.21524	0.3
480.20490	0.5
492.17572	1.0
523.35089	0.4
524.35754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13062	0.2
54.84707	0.2
55.01877	2.2
57.03447	2.9
58.00579	1.1
59.01382	25.0
60.99279	0.2
61.98838	1.4
67.61996	0.2
69.03453	0.7
70.70155	0.5
71.01383	27.9
72.99315	1.8
73.02951	7.0
75.00866	1.1
78.95888	0.4
83.01395	4.2
84.02160	0.4
85.02955	11.8
87.00865	1.9
87.04510	0.8
88.98795	0.3
89.02448	9.8
89.03007	0.5
93.03447	0.8
95.01395	2.4
96.95995	1.0
97.02944	0.5
97.06602	0.4
97.08482	0.2
99.00883	2.5
101.02449	19.3
104.19700	0.2
109.06551	0.3
111.00865	1.1
113.02454	9.4
119.03513	3.2
119.04958	0.5
123.08146	0.6
125.02451	0.6
127.11247	0.4
129.01935	0.7
131.03520	0.5
135.04535	0.6
141.09164	0.3
143.03523	0.8
153.09212	0.4
155.03522	0.4
156.08543	0.2
159.03011	1.4
161.04570	3.5
163.03970	0.3
169.12419	0.4
171.13908	1.3
171.59839	0.2
173.04529	1.2
177.01891	0.3
179.03427	0.3
179.05684	1.1
187.13400	0.6
191.05588	1.1
201.14987	1.5
217.14424	0.6
275.09332	0.3
285.04208	0.3
286.85098	0.2
301.83804	0.3
315.25400	0.7
359.28171	1.8
361.29620	18.0
362.29950	1.0
430.22717	0.3
479.18854	0.3
523.34863	100.0
524.35327	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	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03438	1.5
58.00581	0.9
59.01376	23.8
61.98832	5.8
66.03479	1.1
70.02966	1.3
70.70462	0.9
71.01379	16.7
72.99294	1.4
73.02943	5.1
83.01376	2.2
84.04549	0.4
85.02456	0.4
85.02950	5.4
87.00863	1.0
89.02442	8.9
94.02966	1.1
95.01389	1.3
96.04554	1.7
98.02475	6.3
99.00855	0.9
100.04048	0.9
101.02437	11.6
111.00875	1.3
112.04029	0.8
113.02441	4.9
119.03512	2.6
130.05075	0.6
139.07414	0.3
143.03485	0.4
148.09399	0.3
149.64955	0.3
159.02878	0.6
161.04610	0.7
163.31540	0.4
165.40359	0.3
179.05547	0.4
184.23843	0.3
227.16502	1.3
250.08304	0.4
264.05496	0.3
276.19595	1.1
292.19199	0.8
301.67160	0.4
342.22604	0.4
360.23889	11.5
361.24249	1.2
389.21881	0.7
486.17972	0.5
522.29156	100.0
523.29535	7.7
533.41046	0.3
538.82391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.41320	0.4
59.01376	6.4
61.98818	1.9
68.89007	0.4
71.01384	4.3
71.55688	0.7
72.99304	0.5
73.02952	1.5
75.00876	0.8
81.67001	0.4
83.01389	0.8
83.05006	0.4
85.02938	2.2
87.00862	0.4
89.02448	2.1
93.03447	1.6
96.96014	1.3
99.00859	0.9
101.02433	3.0
109.02944	3.8
113.02431	1.9
113.03181	0.4
119.05006	1.0
121.02956	10.3
122.03743	8.3
123.04513	1.2
124.01682	0.7
125.00405	0.5
134.03770	0.6
135.04539	1.5
136.01698	0.5
136.05278	0.8
137.02440	3.0
146.03793	0.5
147.04495	4.3
149.04549	1.0
154.02695	1.3
154.32533	0.5
161.04622	0.6
161.06053	1.8
162.06760	0.6
163.03996	0.7
165.05557	18.7
173.04584	1.0
177.05583	0.5
178.06354	0.7
179.05751	0.5
179.07141	7.2
191.05562	1.6
209.08073	0.6
209.11768	1.8
221.81140	0.5
223.07831	0.4
223.09761	1.7
225.15015	0.6
227.12857	1.8
310.37027	0.4
313.14325	1.2
315.12405	1.8
346.14188	8.5
347.14423	0.6
361.16531	100.0
362.16937	5.2
437.20016	0.5
463.21814	1.2
479.21378	1.5
523.28601	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	523.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80317	0.6
52.82759	0.6
59.01359	2.4
61.98814	1.1
78.95899	12.5
91.58476	0.7
96.95995	2.4
96.96931	1.3
101.76403	0.7
104.61605	0.7
110.32806	0.7
113.09705	2.8
149.06065	1.5
152.98383	0.9
152.99583	16.1
171.00623	1.8
179.14412	1.7
195.13887	22.3
227.03300	1.5
245.04298	2.4
277.21710	18.6
295.22760	100.0
296.23181	3.5
310.19891	0.8
456.16510	0.8
462.29938	5.6
523.26666	64.2
523.33038	19.9
524.26953	3.7
524.33588	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
56.18414	0.1
57.03449	1.4
58.00593	0.6
59.01381	10.8
61.98827	0.5
63.63690	0.1
66.03490	1.8
68.01415	0.5
68.99815	0.3
69.03452	0.5
70.02980	3.1
71.01382	16.8
71.55312	0.2
72.00910	0.2
72.01730	0.2
72.99310	1.5
73.02946	8.2
75.00871	0.4
80.92481	0.1
82.02954	0.3
83.01386	3.1
84.02216	0.1
84.04548	0.4
85.02950	8.5
86.00111	0.1
86.02474	0.4
87.00881	1.5
87.04518	0.1
89.02443	2.5
93.03466	0.3
94.02976	1.0
95.01397	1.4
96.00906	0.1
96.04551	1.8
96.95989	0.1
97.02967	0.5
98.02477	15.0
99.00886	2.6
99.02812	0.3
100.04046	1.2
101.02444	12.4
102.02789	0.2
106.06603	0.2
107.36998	0.1
110.02457	0.1
111.00884	2.9
112.04037	0.5
113.02451	4.8
114.01955	0.3
114.05647	0.3
114.21470	0.1
119.03519	0.7
125.02430	0.4
128.03560	0.2
129.01973	0.8
130.05093	1.1
131.03493	0.1
141.01909	0.4
143.03502	0.4
147.04524	0.1
148.04742	0.1
159.03001	0.9
161.04572	1.3
169.12306	0.1
173.04576	0.2
175.04077	0.1
176.14156	0.1
177.05630	0.2
191.05614	0.4
199.79211	0.1
201.05602	0.2
209.15530	0.5
219.06674	0.2
219.16464	0.1
221.04518	0.9
222.04897	0.3
227.16507	2.2
241.18059	0.2
244.06914	0.2
259.19525	0.1
276.19739	0.5
292.19128	1.1
294.20837	0.3
304.19049	0.2
306.20691	0.4
310.20300	0.5
322.20166	0.2
342.22714	0.2
360.23898	12.1
361.24231	0.5
362.24847	0.2
367.96817	0.1
389.21957	1.2
447.71997	0.1
454.24359	0.3
466.24353	0.1
485.13052	0.7
486.13086	1.3
504.27942	0.2
522.29163	100.0
523.29474	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	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13198	0.2
54.98827	0.2
56.10624	0.2
59.01377	2.4
60.01716	0.3
61.98830	100.0
65.65645	0.2
67.01896	0.3
69.52759	0.2
71.01384	0.7
71.55769	0.4
72.87653	0.2
73.02934	0.3
78.95914	0.2
83.15681	0.2
85.02955	0.5
93.03461	0.9
96.96024	0.3
97.06615	0.3
97.61304	0.2
100.35548	0.2
101.02473	0.4
111.04536	0.4
113.02448	0.3
135.04543	0.4
137.02484	0.3
155.03542	0.4
173.04573	1.8
178.02730	0.4
191.05585	2.2
202.06371	0.2
211.13469	0.2
223.13344	0.5
224.13786	0.4
225.14041	0.2
316.42639	0.2
351.12085	0.2
361.11093	0.3
415.16995	0.2
522.21039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73687	0.2
59.01381	1.5
61.98832	100.0
62.98553	0.2
71.01407	0.4
78.20780	0.2
85.02954	0.4
89.02454	0.2
93.03467	0.4
96.96062	0.2
98.20590	0.5
100.27876	0.2
101.02491	0.4
111.00901	0.2
112.78383	0.2
113.02456	0.3
123.04544	0.3
135.04553	0.4
150.71501	0.2
159.04680	0.2
161.04584	0.3
173.04610	0.9
191.05663	0.8
224.13802	0.6
225.14020	0.3
253.09430	0.3
287.22137	1.5
365.61743	0.2
522.33508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06230	0.2
55.01886	1.7
57.03450	2.2
58.00582	0.8
59.01380	21.0
61.98820	0.8
67.01885	0.2
68.99824	0.2
69.03455	0.8
71.01382	24.9
71.05015	0.3
71.56282	0.4
72.99307	1.9
73.02946	6.9
75.00865	0.8
78.95921	0.2
82.68706	0.2
83.01391	4.3
83.05038	0.3
84.02157	0.3
85.02950	12.1
87.00877	1.7
88.98779	0.2
89.02448	8.8
93.03458	0.7
95.01387	2.0
96.96017	0.3
97.02921	0.5
97.06580	0.4
99.00890	2.7
101.02442	17.9
109.02950	0.3
111.00883	1.1
111.08164	0.4
113.02455	9.3
113.09763	0.3
119.03487	3.2
119.05011	0.2
121.02985	0.3
123.08111	0.2
125.02455	0.5
127.11308	0.3
129.01942	0.8
131.03517	0.5
134.03722	0.2
135.02844	0.2
135.04536	0.8
137.09727	1.1
141.01944	0.2
143.03540	0.9
149.04547	0.2
153.01936	0.3
153.12849	0.7
155.03467	0.2
155.10797	2.1
157.12315	0.7
158.94385	0.2
159.02992	1.4
161.04562	2.8
165.12822	0.4
173.04538	1.2
179.03658	0.2
179.05621	0.9
183.13879	2.6
191.05569	1.6
201.14954	3.3
223.13181	0.4
227.12961	0.2
229.14514	0.5
230.15164	1.2
237.11072	0.2
249.11008	2.0
253.09456	0.2
267.12103	0.2
276.40088	0.2
317.13843	0.2
341.27335	0.4
359.28009	19.2
360.28442	0.9
391.19586	0.4
392.20395	0.8
463.21902	1.1
485.19446	0.4
503.32739	0.3
521.33295	100.0
522.33691	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11052	0.8
59.01379	14.5
61.98817	2.3
63.55655	0.8
69.26188	4.9
69.26621	3.2
71.01379	7.0
71.05015	1.1
73.02927	1.5
74.08712	0.7
75.00870	2.7
83.01375	1.6
83.34653	1.1
85.02927	3.3
87.00895	1.9
89.02435	4.0
93.03429	2.5
95.01372	1.2
97.02954	6.3
97.06584	1.4
99.00881	6.9
100.07819	0.9
101.02427	4.0
106.06615	1.5
107.05025	1.7
109.06622	1.1
110.03714	1.8
111.00875	5.1
112.01608	1.0
113.02421	4.1
119.05025	10.2
120.33846	0.8
123.04478	1.1
125.02431	15.4
125.09691	2.0
127.00379	1.0
142.02734	1.9
161.04535	2.5
162.32689	0.9
163.11276	6.2
173.04471	2.0
179.10941	1.0
181.10846	1.3
181.12354	16.4
186.35228	0.8
191.05515	2.7
191.10640	1.4
199.13335	1.0
207.10243	40.4
219.39014	0.8
222.61084	1.0
225.11304	100.0
226.11629	2.6
229.08904	1.1
235.08105	2.2
243.12419	6.6
245.08278	1.8
246.08943	36.6
247.09473	1.8
253.09294	5.6
271.17050	6.8
282.95078	1.0
297.14944	13.7
315.15973	27.1
359.12518	1.8
408.14206	13.7
409.14197	1.2
461.20218	60.3
462.10330	1.0
462.20517	2.0
477.20938	2.0
521.26227	1.6
521.33002	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46616	0.3
56.93594	0.3
57.03440	0.4
59.01384	2.8
60.99310	0.6
61.31733	0.3
61.98821	0.9
64.70842	0.4
69.35784	2.3
71.01376	3.6
72.99313	0.8
73.02929	1.3
75.00865	0.9
83.01387	0.4
85.02943	1.6
87.00867	0.7
87.55431	0.4
88.98801	2.4
89.02431	1.2
93.03472	0.8
95.01397	0.3
96.96021	0.7
99.00874	1.2
101.02443	1.8
103.67247	0.3
108.02161	0.5
109.02998	0.3
111.00880	0.6
112.30714	0.3
113.02436	2.1
121.02966	3.4
122.03764	0.9
123.00875	1.4
123.04475	0.5
125.02438	0.4
135.04494	0.5
136.01649	0.4
136.05290	1.4
137.02501	0.8
137.06073	0.6
143.05020	0.7
146.03722	0.5
147.04504	1.5
149.02406	1.1
150.03230	4.3
153.05493	0.4
158.03729	2.6
159.04509	7.7
160.05299	25.6
161.04585	1.1
161.06059	8.0
163.04005	5.3
164.04791	5.9
165.05367	0.5
168.04234	0.6
173.04550	1.2
173.06065	3.2
175.07635	24.6
176.04822	0.6
177.05566	6.4
178.06358	8.3
191.05573	1.4
191.07123	0.5
192.07861	1.0
193.08685	3.2
278.74304	0.4
292.84851	0.4
296.32635	0.3
311.05527	0.8
314.11511	0.5
315.12387	0.5
329.13919	100.0
330.14252	5.9
359.14966	4.0
431.09555	0.4
521.21381	0.9
521.26575	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	4.5
59.01377	100.0
70.26264	4.1
71.01379	67.6
72.12209	0.9
72.99312	6.0
73.02946	2.3
75.00858	2.4
82.12939	1.1
83.01373	1.6
85.02956	10.7
87.00861	4.7
89.02442	95.2
93.03431	3.0
93.61403	1.0
95.01374	4.4
96.95986	1.7
101.02441	42.1
108.02180	1.3
109.02955	2.4
113.02443	27.2
119.03499	40.8
121.02943	3.1
122.03701	1.2
123.04504	1.8
131.03522	4.9
135.04515	1.4
143.03488	11.4
149.04558	5.0
158.03786	1.1
159.04443	2.2
160.05307	7.4
161.02303	1.0
161.04602	7.5
161.05821	1.6
165.63963	1.0
172.05266	3.9
173.04507	5.0
173.05934	2.1
175.07588	3.7
179.05614	21.9
187.07660	1.6
189.05539	6.7
190.06311	7.6
191.05551	3.0
205.08604	5.0
232.77620	1.2
269.04559	1.3
281.08276	1.6
295.09698	1.3
296.10504	5.9
311.12921	5.6
329.13806	2.6
341.13919	30.6
341.19940	1.4
342.14325	1.7
347.24231	2.1
521.19458	7.2
521.26093	5.6
527.21368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94313	0.7
59.01384	4.2
67.26164	0.7
71.01371	3.0
72.99294	3.3
73.02940	2.1
75.00870	29.1
81.03447	2.2
85.02957	1.1
87.00852	3.4
89.02419	2.1
97.02931	1.0
99.00887	1.0
99.04554	0.9
105.01926	4.9
113.02446	1.2
115.00370	1.0
117.72800	0.7
125.02494	0.9
143.03491	4.6
161.00960	1.2
161.04556	5.3
179.05603	100.0
180.06021	0.8
191.05603	0.9
269.95053	0.7
341.10861	2.7
410.07355	0.7
534.93054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
60.99308	15.0
65.47063	0.6
69.29635	4.1
69.30048	1.6
71.01388	1.9
72.99306	2.1
75.00890	1.0
77.93417	0.6
85.02955	0.7
87.00880	1.4
88.98808	100.0
89.02404	0.6
93.03461	2.0
94.83090	0.6
96.96032	0.8
101.02467	1.1
113.02409	0.8
117.03445	2.3
121.91142	0.7
131.68742	0.7
135.04507	0.8
149.02495	0.8
159.04485	0.7
161.02490	0.7
162.41554	0.7
163.04001	1.1
173.04503	1.1
191.05615	1.2
223.13364	4.2
241.14523	1.5
253.09264	0.8
281.04327	1.3
282.05286	0.7
283.06110	13.8
291.32178	0.6
303.95401	0.6
311.05600	26.6
323.05560	1.3
341.06607	2.4
346.22931	0.9
431.09818	37.3
432.09946	2.1
438.45273	0.6
473.14001	0.7
520.27832	1.1
521.21692	1.4
521.28314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18487	0.8
59.01378	2.3
61.98824	1.8
70.45359	1.9
71.01385	1.9
83.01365	2.0
93.03456	3.6
94.03739	0.9
96.96014	6.6
98.19955	1.2
99.00867	4.2
99.58184	0.9
102.14969	0.8
111.67345	0.9
117.03442	2.2
119.05012	3.9
131.05031	2.8
132.05792	4.1
133.06622	6.3
145.06612	5.0
147.04524	11.5
149.06133	1.0
156.20348	0.9
157.06575	3.0
158.03790	0.9
159.04457	1.6
160.05295	2.6
161.06047	3.8
163.04094	1.1
163.07642	1.4
169.06596	2.5
173.06062	7.3
175.03963	4.3
175.07619	4.0
177.05556	3.5
181.08705	0.8
187.07642	16.2
189.03983	1.6
189.05554	16.9
191.05714	0.9
191.07144	4.8
193.05046	1.1
199.07642	1.8
199.53856	0.9
201.05547	19.0
203.03474	3.3
205.05042	5.3
219.06601	14.9
220.06947	0.9
221.04507	11.0
231.06696	1.1
235.06116	1.4
258.60309	0.9
261.07678	3.8
263.05569	18.5
279.08771	4.8
319.59763	1.0
323.07690	100.0
324.08075	4.5
383.09784	2.4
438.38257	0.9
440.53433	0.9
485.13171	4.7
521.10626	49.6
522.10864	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35087	0.3
60.43597	0.3
61.98836	0.3
69.56444	0.6
69.56857	1.4
78.95908	63.8
96.96962	5.7
134.72441	0.3
140.26373	0.3
142.73969	0.3
147.93434	0.3
150.98039	2.1
152.99591	100.0
153.99974	0.6
171.00650	2.7
214.23749	0.3
279.23309	2.3
433.23605	49.7
434.23956	2.5
456.63043	0.3
520.26709	7.8
521.27277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96379	0.3
68.66225	0.2
70.56331	0.4
70.56718	0.8
78.95900	42.8
96.96959	6.4
113.54968	0.3
125.77802	0.2
147.31966	0.2
150.97992	1.4
152.99576	100.0
153.99892	0.7
162.03764	0.3
171.00610	3.8
197.63586	0.2
279.23209	1.1
433.23575	27.6
434.23950	1.6
494.93420	0.2
520.19104	0.5
520.26770	7.3
521.27258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03433	1.1
59.01387	3.7
61.98834	0.9
66.03484	3.2
68.01405	1.0
69.24119	7.0
70.02974	8.5
71.01381	10.8
72.99331	1.1
73.02943	17.4
75.00881	4.4
82.02988	1.0
83.01388	1.5
85.02927	3.6
87.00879	8.7
95.01403	0.7
96.04587	1.4
96.95976	0.9
98.02474	44.0
98.69308	0.7
99.00871	3.7
100.04047	3.4
101.02427	8.6
111.00880	12.6
113.02452	3.8
129.01920	9.1
130.05093	2.5
131.03505	2.0
141.01907	3.8
159.02983	21.7
160.08669	0.8
173.04573	0.9
227.16508	6.7
239.25462	0.7
276.19571	1.3
292.19165	1.6
360.23883	100.0
361.24228	6.7
384.45612	0.8
511.72339	0.9
520.27637	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	520.2762
Annotation	Epothilone B10
Peak:m/z	Relative Intensity
55.01869	1.4
57.03453	1.0
57.47428	0.6
58.03328	0.6
59.01394	3.9
66.03481	2.7
68.01426	1.4
68.99823	1.6
69.03468	0.9
69.24574	7.0
70.02978	8.2
71.01390	10.7
72.99316	0.8
73.02551	1.1
73.02946	15.2
75.00873	4.4
82.02999	1.0
83.01388	3.3
85.02950	1.9
87.00884	9.6
93.19537	0.8
95.01383	1.1
96.04552	1.7
98.02482	40.5
98.55830	0.8
99.00889	4.7
100.04029	4.4
101.02439	10.3
111.00884	11.4
112.04079	0.8
113.02448	3.3
128.03551	1.0
129.01945	9.9
130.05066	2.3
131.03529	1.2
141.01935	2.8
159.02998	26.3
227.16501	5.8
276.19821	0.7
292.18985	1.6
310.20239	1.1
360.23904	100.0
361.24203	5.4
430.24530	1.1
520.27454	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26061	0.6
53.57874	0.5
59.01377	22.0
61.98835	1.2
69.03481	1.5
69.32507	5.8
71.01382	6.2
71.05015	1.4
73.02959	1.5
83.01377	0.9
85.02934	2.2
87.00893	1.5
89.02416	3.6
93.03462	1.1
96.04550	0.6
96.96021	1.1
101.02452	5.8
110.21065	0.7
113.02483	3.4
119.03485	1.6
121.38198	0.6
156.84680	0.7
161.04605	2.0
167.10750	2.5
173.04419	1.5
179.10835	0.8
179.14384	3.0
183.08078	0.7
191.05611	2.3
195.13919	10.0
205.12335	9.0
223.13377	100.0
224.13667	4.1
253.09258	21.6
266.21835	0.8
274.09064	0.7
302.51682	0.7
321.33841	0.8
341.03699	0.7
400.48270	0.7
459.22427	13.3
460.22708	1.1
475.25641	1.9
519.19318	0.9
519.31372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01376	18.6
61.98826	100.0
66.78535	0.4
68.13191	0.5
69.37941	2.8
71.01379	6.1
72.99300	0.5
73.02946	5.3
75.00863	0.4
76.41129	0.4
77.88660	0.4
83.01376	2.6
85.02952	0.9
87.00846	0.4
89.02437	1.9
94.53024	0.3
97.02936	0.4
101.02437	7.1
113.02462	2.2
119.03516	0.9
131.03603	0.8
143.03522	0.9
149.04555	1.8
155.03485	0.7
161.04552	2.5
173.04549	1.0
191.05701	0.9
191.93425	0.4
203.05753	0.6
221.06636	0.8
310.08102	0.7
310.93634	0.4
340.12878	0.7
413.66302	0.4
520.32251	0.5
521.26556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40196	1.1
57.03426	3.4
59.01377	100.0
61.98537	1.8
61.98830	25.2
69.03472	1.3
69.28902	8.8
71.01380	36.4
71.04993	1.6
72.99294	2.7
73.02943	12.4
75.00874	3.3
81.03449	2.3
82.95425	1.5
83.01378	4.7
84.95133	1.3
85.02948	11.1
85.35619	1.0
87.00868	6.9
87.04499	1.8
87.09479	1.0
88.98759	1.4
89.02440	19.0
93.03439	4.0
95.01382	3.1
96.96015	7.0
98.19926	2.1
98.95557	1.5
99.00857	3.4
99.04485	1.5
100.21376	1.1
101.02436	24.3
101.06068	2.6
105.01907	1.9
111.04456	1.2
113.02436	18.9
115.00354	1.7
116.92854	4.6
119.03487	7.4
125.02428	4.0
131.03465	2.3
131.77362	1.0
134.03719	1.2
135.04486	2.0
136.57881	1.1
137.02393	1.4
143.03517	7.4
143.04527	1.7
149.04547	1.9
161.04584	6.0
173.04523	7.5
175.02412	1.2
177.02069	1.1
179.05586	8.0
179.10713	1.2
189.27983	1.2
191.05530	3.2
271.19092	4.2
285.03784	1.3
295.10339	1.8
313.11313	1.5
315.17752	2.3
339.12006	1.3
345.22650	2.1
357.13489	1.4
372.12405	1.3
397.22327	1.9
415.23352	27.3
416.23526	2.4
426.67972	1.2
433.24503	12.5
462.60999	1.2
475.26068	3.2
477.23300	1.3
519.19952	2.7
519.31250	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55811	1.2
57.03428	1.4
58.00604	1.7
58.71393	1.2
59.01378	100.0
61.56393	1.2
61.98824	3.2
69.41056	9.8
71.01379	46.8
72.99324	1.9
73.02940	5.3
75.00867	1.4
78.95984	1.4
83.01389	3.1
85.02946	10.9
87.00872	4.8
88.22729	1.4
89.02444	43.7
90.74283	1.3
93.03457	6.0
95.01395	3.8
96.96012	5.2
97.02934	1.6
99.00869	1.6
101.02438	24.8
101.06091	1.6
112.25412	1.2
113.02440	23.0
119.03498	17.5
131.03500	3.2
134.03770	1.4
135.04538	1.8
143.03508	3.6
145.02934	2.1
149.04466	2.0
151.03978	1.7
151.06113	1.5
155.03532	1.4
161.04543	6.2
173.04494	14.2
179.05580	8.4
191.05571	7.0
193.48125	1.3
195.17674	1.2
203.07027	1.9
221.06032	1.9
233.06165	1.6
235.07590	2.4
253.08781	3.0
263.07120	6.0
268.10989	1.8
279.06598	1.6
281.08173	11.5
291.06689	3.5
293.08109	3.2
294.08878	1.8
296.10446	2.8
308.10468	3.2
309.07675	40.4
309.11176	3.0
310.08209	1.5
313.11267	2.7
313.14508	6.0
315.17963	2.0
323.09143	8.6
324.09970	17.1
325.10510	2.0
339.12372	39.6
340.12695	1.9
345.22653	5.6
357.13449	1.8
397.22256	3.4
415.23434	10.3
433.24600	7.7
519.20636	3.6
519.33710	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	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.6
58.00579	1.9
59.01379	100.0
59.28067	1.4
61.98811	5.5
70.78053	3.1
70.78391	1.6
71.01382	51.7
72.99277	2.4
73.02967	7.7
75.00852	1.6
83.01371	2.2
85.02944	13.7
87.00870	4.1
88.05292	1.2
89.02445	52.7
92.45762	1.2
92.52583	1.5
93.03449	4.2
94.61129	1.3
95.01402	3.4
96.95992	4.5
101.02438	29.1
101.06037	1.7
101.12151	1.6
107.63110	1.4
108.17039	1.5
109.02976	1.9
111.04481	1.5
113.02450	23.6
119.02689	1.5
119.03507	22.7
119.04936	1.4
123.04631	1.6
125.02443	1.7
131.03496	3.3
135.04532	2.2
143.03487	5.4
149.04579	2.2
149.05893	1.6
155.03476	1.9
161.04584	7.0
173.04550	15.5
177.09100	1.6
179.05614	11.9
179.10715	1.8
183.85538	1.8
191.05598	5.5
219.08061	2.2
221.06133	2.1
237.09055	1.7
253.08740	3.1
263.07205	7.3
279.09702	1.4
281.08206	13.8
291.06601	4.5
293.08084	5.4
294.08978	1.5
295.10175	1.6
296.10391	2.4
307.09644	1.9
308.10327	2.8
309.07700	60.7
310.07910	2.2
313.11395	2.2
313.14566	11.0
323.09171	6.1
324.10031	23.1
339.12366	54.2
340.12585	2.0
345.22687	5.4
397.22327	3.1
415.23383	15.5
433.24426	7.8
462.20428	1.6
519.20355	4.3
519.34027	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	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.6
56.93605	1.2
58.00597	2.5
59.01380	100.0
61.98825	3.3
71.01385	48.6
72.60300	1.4
72.99322	2.8
73.02931	7.3
83.01369	2.6
85.02944	10.0
87.00878	4.3
87.73860	1.7
89.02446	54.3
93.03452	4.5
95.01375	3.0
96.96024	5.0
98.19822	2.2
99.00832	2.4
101.02452	24.6
109.02927	2.2
113.02452	26.4
119.03504	21.6
131.03484	1.4
135.04494	2.9
143.03488	4.3
145.02983	2.7
149.04579	1.7
161.04552	8.0
173.04523	10.5
177.09219	2.6
179.05652	8.3
191.05638	5.8
235.07706	3.5
253.08897	2.8
263.07117	9.6
273.05646	1.7
281.08209	18.0
291.06702	4.6
292.07513	3.5
293.08270	3.4
296.10422	3.4
308.10593	3.5
309.07681	61.7
309.11313	3.5
310.08115	2.2
313.11304	1.5
313.14572	10.2
323.09219	6.5
324.09988	29.9
325.10196	2.5
339.12360	67.0
340.12640	4.0
345.22711	4.0
397.22159	3.6
415.23285	11.4
433.24292	7.7
461.28629	1.9
516.96667	1.6
519.19055	2.8
519.31915	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.24981	0.5
58.63655	0.6
59.01376	27.1
70.70065	1.6
71.01380	10.3
73.02941	1.8
74.39542	0.6
83.01396	1.1
85.02937	4.0
85.31118	0.5
87.00861	0.6
89.02448	8.6
93.03445	2.0
95.01405	0.8
101.02446	4.8
105.01960	1.0
108.02202	1.8
109.02945	1.1
113.02447	4.9
119.03508	2.4
121.02924	3.9
122.03746	2.8
125.02425	1.3
134.03694	1.4
136.01657	74.5
137.02411	1.5
143.03484	1.4
149.06026	1.1
151.04001	100.0
152.04364	1.8
159.04294	0.6
160.05315	1.2
161.04526	3.9
162.03212	1.0
163.03973	1.4
166.29271	0.6
173.04556	3.3
175.04066	0.7
175.07648	1.3
177.05582	1.2
179.03520	0.9
179.05568	1.4
188.04741	0.9
191.05617	1.1
203.07329	0.7
242.55357	0.7
296.30356	0.6
309.11310	0.7
339.12350	1.5
340.45123	0.7
342.11002	4.9
357.13403	96.9
357.94540	0.6
358.13705	4.6
415.23502	3.3
417.25134	0.8
433.24570	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	518.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79575	0.2
57.16454	0.2
61.98825	2.7
64.11337	0.3
71.27182	0.4
78.95899	44.7
96.96954	5.8
150.97993	1.9
152.99574	100.0
153.99901	0.8
168.43445	0.2
171.00621	3.9
204.59961	0.2
240.02693	0.3
272.04861	0.2
277.21783	1.0
333.24448	0.3
351.25687	0.3
431.21982	26.8
432.22256	1.5
518.25201	6.0
518.32452	0.4
519.25403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19366	0.7
53.52861	0.7
58.00583	1.9
59.01382	10.1
61.98815	1.2
66.26402	0.8
69.29695	6.7
71.01381	12.5
72.99285	2.5
73.02542	0.7
73.02925	1.9
75.00871	2.3
81.02209	4.9
81.03453	1.8
83.05010	3.5
85.02945	3.1
87.00862	2.4
88.98804	2.5
89.02451	1.4
93.03461	1.5
95.05010	1.8
96.04587	0.9
96.96011	2.2
98.02509	0.8
98.20720	1.4
101.02428	1.8
103.00327	0.9
111.04504	1.2
111.61240	0.8
113.02415	2.2
123.08138	3.7
124.05277	4.4
127.00341	1.5
134.57919	0.9
137.09776	0.8
138.01959	5.0
141.91537	0.8
152.52852	0.8
163.17883	0.7
166.13486	0.7
171.10268	0.9
173.04553	2.3
188.09279	1.3
191.05579	5.5
222.14911	0.9
246.18626	1.3
255.19608	1.5
258.73672	0.8
261.18625	1.1
262.21643	1.7
272.20099	0.8
274.21838	1.7
276.19629	2.0
278.21292	1.1
279.19815	1.0
281.21289	1.6
285.04111	1.3
288.19650	2.9
290.18091	1.0
290.21124	3.6
294.20715	18.2
295.21109	1.3
300.19638	7.3
302.21201	1.3
306.20709	4.5
308.22330	2.0
312.21851	4.6
316.19183	1.2
318.20767	9.8
336.21805	2.6
338.23413	5.1
344.24435	17.7
350.23383	3.5
368.24423	15.2
432.16519	1.0
466.68576	0.9
474.27051	100.0
475.27695	5.4
518.26111	15.1
519.26221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
58.32059	2.6
59.01378	54.9
61.98820	6.2
70.30264	2.7
70.87826	6.6
71.01380	61.6
71.06783	2.5
73.02951	19.3
75.00887	3.5
83.01393	8.2
85.02944	21.9
87.00872	8.0
89.02446	23.6
93.03465	4.3
95.01366	6.2
96.96012	47.4
98.02377	3.1
99.00885	8.7
101.02438	38.0
103.00319	2.4
106.26233	2.5
108.02166	9.3
111.00862	13.1
113.02455	32.4
115.00354	2.8
117.80275	4.0
118.57703	2.3
119.03477	6.7
119.05013	3.2
120.02151	4.6
121.02926	8.9
122.03765	2.9
123.04528	6.3
127.00357	6.6
131.03526	7.3
133.02930	5.4
134.03751	9.8
135.04478	5.3
136.01640	6.0
137.02417	4.7
139.70570	2.5
143.03511	8.4
146.03545	2.7
148.01657	34.9
148.05254	4.6
149.02423	6.0
149.06061	6.6
150.03203	13.8
150.06474	3.9
151.03935	6.6
153.05557	33.6
155.03537	4.1
159.02962	4.7
161.02472	4.3
161.04541	69.6
161.05891	4.1
163.03993	73.4
163.07599	3.0
164.04742	4.0
165.05612	5.4
173.04538	7.0
173.06009	5.1
174.03204	3.4
174.21982	2.5
175.03993	13.1
177.05576	5.1
178.02763	5.8
179.03493	26.6
179.05617	4.2
184.37317	2.6
186.03333	4.4
188.04747	2.7
190.02721	12.3
191.01886	4.2
191.05624	9.3
191.07222	3.5
192.04283	19.5
193.04984	9.0
194.05803	12.2
201.05569	10.2
205.01315	2.7
205.05086	11.8
207.06601	20.4
217.08658	6.4
222.05302	9.7
233.08321	5.0
235.06102	24.8
237.07663	24.0
245.08133	8.2
249.07724	7.8
261.07660	5.4
267.08707	100.0
268.09039	4.2
277.07178	17.8
289.07162	29.1
290.03134	3.5
321.09747	18.3
392.80109	3.0
469.13852	4.2
501.16586	3.6
519.16791	15.0
520.28046	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	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01378	44.9
61.98829	100.0
68.45703	0.5
69.37946	3.7
71.01380	11.8
72.99331	0.7
73.02945	12.9
83.01386	4.3
85.02942	3.5
87.00870	0.7
89.02445	4.9
93.03463	2.2
95.01377	0.8
96.96023	1.9
99.00883	0.8
101.02444	15.7
102.05611	1.0
113.02441	7.3
117.47297	0.5
119.03475	2.6
125.02450	0.5
128.03552	1.0
131.03514	2.0
135.04543	0.7
137.09703	2.8
143.03523	1.7
146.04590	0.7
149.04529	3.7
155.03523	1.2
161.04553	6.2
173.04553	4.4
175.02542	0.6
179.03595	0.7
179.05583	0.7
189.12927	1.0
191.05655	2.0
203.05603	0.6
212.12460	0.5
221.06610	2.6
255.62148	0.5
312.33270	0.6
338.11166	1.0
342.35266	0.5
344.24667	0.6
458.24881	0.7
517.27521	0.6
518.30597	3.0
519.31415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00642	0.4
61.98832	25.2
65.83702	0.3
66.73882	0.3
69.52226	0.9
69.52640	1.7
71.14799	0.4
78.95905	62.2
93.56589	0.4
95.17166	0.3
96.96968	5.0
150.97963	2.0
152.99586	100.0
153.99997	0.4
171.00638	2.8
182.19402	0.4
207.10379	0.5
277.21854	2.1
429.28812	0.4
431.21991	41.8
432.22327	2.2
518.25256	6.9
519.26794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	67.8
59.81221	0.8
60.01720	1.7
61.98830	100.0
69.53313	0.7
70.81061	0.8
71.01377	24.3
71.56183	1.0
72.01740	1.2
72.99321	1.4
73.02948	25.4
75.00874	1.7
81.03439	0.8
83.01384	8.3
85.02943	5.0
87.00865	2.4
88.86562	0.8
89.02444	7.1
89.94931	0.8
93.03466	2.9
96.96017	4.8
98.58640	0.9
99.00884	1.1
101.02445	28.8
105.50358	0.9
111.04510	2.5
113.02441	10.3
116.92831	0.9
119.03490	3.1
125.02451	2.2
128.03557	1.3
131.03519	3.6
135.04495	1.9
137.02441	1.5
143.03496	2.7
149.04582	5.0
151.00359	1.0
155.03487	2.8
161.04532	9.6
164.29202	0.8
173.04529	9.2
179.05605	1.3
189.12865	3.4
191.05586	3.5
203.05699	1.1
221.06607	2.4
255.19698	1.5
272.20007	1.1
294.20712	2.0
306.07407	1.4
326.23386	0.9
344.24411	52.9
345.24857	1.9
482.23248	1.0
518.29901	23.1
519.29559	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	518.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01382	42.5
60.01706	0.7
61.61388	0.3
61.98833	100.0
69.03462	0.5
71.01382	11.2
72.99306	0.7
73.02950	11.0
75.00888	0.6
77.38570	0.3
83.01387	3.5
85.02949	2.5
86.86408	0.4
87.00903	1.0
89.02444	4.2
93.03473	1.3
95.01394	1.1
96.96022	2.3
98.20738	0.8
99.00900	1.1
99.04562	0.4
101.02444	15.9
101.85944	0.4
102.05625	0.4
105.01941	1.8
111.00931	0.3
111.04574	0.4
113.02453	6.2
119.03499	2.7
125.02463	0.7
128.03537	0.8
131.03537	1.6
135.04550	0.4
137.02478	0.5
137.09712	2.3
143.03548	2.1
145.69672	0.3
146.04576	0.4
149.04578	3.4
151.90703	0.3
155.03566	0.7
159.53522	0.4
161.04558	6.1
161.05878	0.6
173.04561	4.2
179.03517	0.4
179.05630	0.7
185.62987	0.4
189.12906	0.9
191.05661	1.4
203.05672	1.2
221.06691	1.6
279.06668	0.6
280.06985	0.6
291.06570	0.4
292.07327	0.3
307.06256	0.6
308.06448	0.8
323.08911	0.8
337.10501	0.5
338.11078	1.7
338.17407	0.4
344.24542	1.2
373.23483	0.8
382.00659	0.4
411.20285	0.6
458.24115	0.6
518.31335	1.7
519.32086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65763	0.9
59.01381	7.5
61.98821	3.1
69.74429	2.2
69.74848	2.3
71.01378	6.0
72.00207	0.8
72.99324	4.7
73.02925	1.9
81.03454	2.4
82.02984	1.3
83.01379	1.0
83.05034	9.1
84.04539	1.0
85.02939	2.5
87.00861	1.6
89.02444	2.8
93.03455	3.4
94.20963	0.8
96.86598	0.8
96.95999	2.9
98.20599	1.7
99.00884	1.5
100.04072	1.7
101.02430	2.6
102.05607	3.3
108.02126	1.6
108.34403	0.8
109.02960	1.2
113.02428	1.4
119.05033	1.3
121.02941	4.1
122.03748	5.5
123.04498	3.7
127.00391	9.6
127.04002	1.0
128.03549	9.4
133.02966	1.2
134.03746	31.4
135.04544	8.1
136.01639	1.5
136.05112	0.9
138.01952	2.1
142.08748	1.5
145.05051	2.5
146.04594	3.3
147.04556	5.6
148.05321	1.5
149.02461	14.2
149.06087	19.1
150.03229	42.5
150.06436	1.3
151.04013	9.9
160.01657	3.5
160.03983	1.1
160.05293	0.9
161.02425	3.0
161.06143	0.8
162.03168	1.3
162.06880	7.3
163.04033	0.9
164.04785	3.4
165.05571	35.5
169.87947	1.0
173.04529	3.3
175.02713	1.2
175.04008	10.4
175.07713	1.1
175.74330	0.8
178.02655	2.4
179.03479	2.2
180.04121	2.9
181.05013	3.0
188.09256	3.1
191.05603	4.6
193.05052	13.7
195.06653	6.7
201.11374	1.7
203.05876	2.0
204.06567	2.4
209.11794	3.1
210.12187	2.6
218.08162	3.0
232.09795	3.2
244.05917	1.0
245.07002	1.2
246.07654	1.3
253.09192	1.7
277.09601	10.7
278.10284	6.1
282.08801	1.1
304.08322	2.9
321.08475	2.9
322.09305	1.4
336.10931	4.4
341.10312	2.5
354.09018	1.8
376.10178	1.9
389.12405	11.5
390.12540	1.5
426.15454	2.0
438.20752	1.0
446.20551	1.0
463.19583	0.9
464.21704	1.0
470.14560	1.9
474.27310	1.2
482.14096	1.8
500.15750	8.5
518.16595	100.0
518.25781	22.2
519.17047	6.8
519.25647	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	518.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70630	1.4
58.82518	1.3
59.01379	14.0
61.98813	4.3
62.52245	1.4
64.25547	1.4
69.48947	11.3
70.15242	1.3
71.01379	7.6
72.99319	1.7
73.02970	1.7
75.00842	1.9
81.02903	1.7
83.01357	1.7
83.05019	1.6
85.02946	3.1
87.00876	2.3
89.02445	3.9
93.03411	7.1
94.02950	1.4
96.96029	3.3
99.00858	2.9
100.04077	1.4
101.02405	5.2
102.05602	2.7
104.34441	1.4
113.02435	1.7
119.03503	1.4
121.02936	5.9
121.22372	1.3
122.03719	8.2
123.04515	3.6
127.00365	24.6
128.03546	10.4
129.01875	2.1
130.08768	2.1
133.02942	1.7
134.03738	33.7
135.04489	5.8
137.02419	2.7
138.01985	2.1
142.22287	1.4
146.04620	3.2
147.04526	5.2
149.02434	23.4
149.06064	22.5
150.03221	60.6
151.04004	10.3
152.13275	1.7
160.01582	5.4
162.06841	4.1
164.04776	6.3
165.05556	53.2
166.39252	1.4
173.04530	11.9
174.05380	1.3
175.04007	7.1
175.07597	1.5
178.02686	4.5
179.03464	3.1
180.04185	7.5
181.05014	3.8
191.05585	6.8
192.05911	1.9
193.05049	20.2
195.06586	15.5
201.11333	2.2
203.05853	1.7
209.11833	5.9
210.12164	2.3
218.08211	2.8
232.09813	1.8
245.06720	1.6
246.91074	1.5
253.09227	3.3
270.05954	1.9
270.08847	1.6
277.09543	6.4
278.10294	5.1
298.71021	1.4
304.08084	2.3
322.09500	1.6
341.10364	7.4
360.23853	3.1
380.15137	2.1
383.83115	1.9
389.12378	13.5
391.98199	1.6
426.15585	6.7
463.23257	1.5
474.17722	1.8
500.15503	19.8
501.15979	2.8
518.16565	100.0
518.25781	13.4
519.16229	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03450	2.6
59.01379	100.0
60.01703	0.9
61.98822	1.6
69.03456	0.7
69.47823	0.6
71.01383	19.7
71.10755	0.8
71.11085	0.7
72.99314	1.9
73.02946	18.8
75.00900	0.9
80.18121	0.5
82.02970	0.6
83.01390	5.8
85.02937	3.8
87.00897	1.6
89.02444	8.0
93.03468	1.9
95.01399	1.4
96.96015	4.6
99.00896	0.8
101.02444	22.0
101.03107	1.2
105.01939	18.7
105.02661	0.9
106.02284	2.7
111.00877	0.6
113.02442	11.3
119.03497	4.2
131.03523	2.1
135.04579	1.1
137.02480	0.5
143.03537	2.4
149.04584	3.5
155.03514	0.8
161.04552	9.1
173.04533	2.5
173.05942	0.5
177.12904	0.8
179.05620	1.0
191.05609	1.6
195.13904	1.3
203.05684	1.0
221.06709	2.1
233.75671	0.5
253.18079	20.0
397.22232	8.7
406.50110	0.7
415.23318	5.2
457.24451	16.6
458.24908	1.3
516.28473	0.5
517.30438	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	515.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00753	0.3
56.70446	0.3
61.98800	0.3
70.18244	0.4
70.18589	1.3
85.30850	0.3
98.20876	0.3
106.04234	0.8
107.05064	0.5
149.09785	0.5
163.11292	31.1
164.11588	0.9
167.36417	0.4
175.11278	1.4
176.12038	0.7
177.09158	0.4
177.12839	3.5
190.10023	1.0
207.10297	0.5
208.11049	2.9
224.11800	0.4
267.13947	0.5
270.87869	0.3
279.23160	1.8
281.15497	1.6
282.16293	3.6
283.17068	6.0
293.15460	1.4
294.16089	0.4
295.16974	0.9
336.20764	0.3
339.23264	100.0
340.23630	5.5
349.21692	0.6
351.23267	6.1
352.23438	0.4
496.59677	0.4
515.35303	81.8
516.29370	0.3
516.35602	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	517.0983
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01377	32.6
61.98828	1.1
63.02407	1.6
66.77995	0.9
69.51791	5.5
71.01385	7.1
73.02944	2.5
78.13543	1.1
78.14043	0.9
83.01384	1.3
85.02960	1.4
89.02428	5.2
93.03460	1.7
96.96004	5.8
98.19865	1.1
99.00936	0.9
101.02437	5.2
105.01939	7.8
107.01379	2.3
113.02456	2.6
117.03476	3.1
119.03493	1.6
124.78742	0.8
135.04552	1.3
143.03477	1.1
149.02414	0.9
149.04520	1.2
151.00317	0.9
159.04506	2.9
161.04538	2.3
173.04561	3.6
179.05637	1.7
183.04504	1.1
191.05627	1.2
225.05602	1.4
227.03455	0.9
268.03729	12.3
269.04532	100.0
270.04852	3.1
274.64520	0.9
285.03751	0.9
311.05539	3.8
431.09833	7.8
457.24088	1.1
473.10947	1.3
497.57413	0.8
517.30560	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	517.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
57.29139	0.8
59.01378	100.0
61.98825	4.8
69.03446	0.8
70.01505	2.1
70.01906	3.0
71.01379	20.2
72.99313	1.8
73.02940	9.0
75.00868	1.2
76.46771	0.9
81.03439	1.0
83.01382	2.8
83.05029	1.1
85.02956	6.1
87.00881	3.0
88.98797	0.9
89.02452	13.9
93.03463	4.3
95.01376	1.6
96.96007	11.2
98.20522	1.3
99.00858	2.2
99.04536	1.0
99.92610	1.0
101.02437	15.8
105.01906	8.0
111.00872	2.6
111.04586	0.9
113.02450	14.3
116.92850	2.2
119.03513	5.8
120.99632	3.0
123.91742	1.0
125.02515	1.2
135.04530	3.2
137.02373	1.3
143.03499	2.0
145.02808	1.1
149.04556	2.6
151.00389	1.1
155.03532	1.7
161.02461	0.9
161.04564	4.7
162.03194	1.4
173.04536	12.1
175.03989	0.9
177.01901	1.5
177.05524	1.3
179.03514	2.5
179.05612	4.0
191.05612	7.4
207.08174	1.9
221.06264	1.1
223.07619	2.4
233.06018	0.9
234.06905	2.1
235.04068	1.2
235.07620	5.6
237.05516	1.2
251.07146	5.4
261.05566	1.0
262.06256	1.2
263.07181	3.1
266.09464	1.8
268.03748	1.0
269.04538	5.6
278.05838	1.6
279.06595	41.6
280.07007	2.6
285.03979	4.8
290.05844	1.0
291.06631	18.5
292.07431	5.3
293.08090	2.4
294.08951	6.2
305.08124	1.8
306.08972	14.1
307.06104	59.4
307.09271	2.1
308.06396	3.1
321.07611	3.6
322.08429	20.8
337.10788	86.5
338.11111	4.4
343.21393	1.1
344.24393	2.4
355.24976	1.4
379.08051	1.2
397.22092	1.8
415.23380	1.0
437.19968	1.5
457.24634	1.8
517.18018	1.7
517.29889	5.3
518.29681	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	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89912	0.4
57.03447	1.1
59.01378	100.0
61.98835	3.2
67.01881	1.0
68.99563	0.8
69.50626	1.4
69.51038	1.3
71.01381	4.2
73.02955	1.3
81.03480	0.9
81.92685	0.4
83.01382	0.5
83.05016	1.4
85.02966	1.4
87.00906	1.2
87.04519	1.2
89.02454	1.3
93.03454	7.4
94.03816	1.3
95.01385	0.5
96.95998	3.1
97.06628	0.6
98.20638	0.9
99.00893	0.9
101.02436	2.2
109.03032	0.6
110.08468	0.5
111.04541	1.6
112.98515	0.7
113.02451	1.2
119.03469	0.7
119.05044	1.8
121.02984	2.5
121.03751	0.4
122.08548	0.4
125.02488	0.6
127.04050	0.6
135.04546	1.7
137.02473	1.6
139.07669	0.6
145.02985	0.5
155.03487	1.4
157.08817	0.7
160.93369	0.5
161.04558	0.6
163.04033	1.5
173.04530	15.4
174.04866	4.9
178.02667	0.5
191.05606	5.0
192.06001	1.0
224.13120	0.4
225.31087	0.5
311.16641	1.0
340.21225	1.0
341.13913	1.0
341.21716	1.6
392.17615	0.4
409.92261	0.5
497.24323	0.8
515.25317	11.4
516.25726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22800	0.1
55.01869	0.3
59.01383	4.2
69.03463	0.2
71.01387	3.3
71.55711	0.2
72.99307	0.3
73.02938	0.6
78.95909	0.3
83.01389	0.4
85.02977	0.8
87.00870	0.5
89.02448	3.0
95.01385	0.3
97.02936	0.2
99.00848	0.2
101.02456	3.6
113.02444	1.6
114.53385	0.1
119.03522	0.9
125.02445	0.2
133.05067	0.2
143.03531	0.3
152.99602	0.2
161.04550	1.1
179.05591	0.3
182.83447	0.1
188.81265	0.1
235.08203	1.0
253.09299	13.3
254.09653	0.3
261.22382	0.3
279.23291	100.0
280.23645	4.2
347.25891	0.4
421.29749	0.1
515.27618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15994	0.1
54.87831	0.1
55.01857	0.2
58.00623	0.2
59.01381	3.6
61.98831	0.1
69.40408	0.2
69.40810	0.9
71.01377	3.2
72.99306	0.3
73.02951	0.7
78.95906	0.4
83.01409	0.3
85.02951	0.6
87.00869	0.5
89.02450	2.8
91.03987	0.2
97.02956	0.1
98.19876	0.2
99.00914	0.2
101.02448	3.4
110.98528	0.2
113.02470	1.6
119.03491	0.8
127.04050	0.1
131.84227	0.1
133.05054	0.3
143.03461	0.3
145.05104	0.2
152.99593	0.3
157.05087	0.2
161.04547	1.2
179.05591	0.5
235.08287	1.0
253.09285	13.3
254.09657	0.4
261.22208	0.4
279.23285	100.0
280.23633	4.9
327.13806	0.1
347.25769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Racemosic acid
Peak:m/z	Relative Intensity
56.82057	0.4
59.01368	2.1
60.99295	1.1
61.98820	0.6
64.20975	0.4
67.01893	2.6
69.03473	0.6
71.01379	2.1
71.55272	0.7
75.00928	0.5
83.05083	0.4
85.02945	4.9
87.00872	4.5
89.02419	0.5
93.03455	18.1
94.03698	0.4
96.96011	2.9
109.02921	1.3
111.04502	3.4
113.02453	0.6
126.76707	0.4
127.04008	1.5
129.01984	0.5
133.02954	1.7
134.03709	0.8
135.04518	19.1
136.04869	0.7
155.03535	1.0
161.02428	8.5
162.02557	0.5
173.04555	5.6
179.01884	0.6
179.03482	15.2
191.05598	100.0
192.05942	1.9
280.50574	0.5
297.07507	0.6
323.07861	0.5
341.05704	0.7
353.08792	10.8
354.09140	0.6
395.09753	2.7
455.21478	0.6
456.18317	0.5
471.14890	0.5
515.14001	64.6
516.14178	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55320	0.3
55.25771	0.3
59.01380	4.5
69.33818	0.6
69.34225	2.2
71.01368	0.7
78.95892	0.4
79.95743	2.0
89.02454	0.6
93.03441	0.6
96.96013	100.0
98.19897	0.5
99.00882	0.5
101.02441	0.4
131.49829	0.3
173.04547	1.7
177.09386	0.4
191.05653	1.2
233.73766	0.4
355.38748	0.4
515.17438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61873	1.3
53.06584	1.3
53.39035	1.2
55.01861	1.4
56.65176	1.6
57.03439	1.6
58.02954	1.3
59.01382	100.0
61.98838	9.7
67.01878	2.0
69.03458	1.7
69.30668	12.2
71.01387	19.3
73.02937	7.3
75.00860	2.4
83.01369	4.0
83.05013	1.9
84.93504	1.4
85.02956	9.5
87.00880	3.3
89.02437	6.5
93.03439	9.7
96.96001	5.5
97.06583	4.5
99.00909	2.0
101.02438	11.9
111.04533	3.0
112.98655	1.6
113.02441	10.9
113.07253	1.7
116.08039	1.4
119.03518	3.2
119.05014	2.8
121.02946	3.0
122.03622	2.0
127.03968	1.6
130.08676	2.0
133.06569	1.4
134.03769	2.2
135.04491	4.2
137.02444	1.6
145.02916	2.6
155.03426	1.9
161.04497	3.2
163.03992	1.8
173.04559	20.7
174.04895	2.0
179.03355	2.4
179.05579	1.7
187.07623	2.1
191.05612	15.9
199.07567	2.8
207.10231	2.7
211.13319	1.9
220.17021	1.6
223.05911	1.4
231.10095	1.5
261.12515	2.2
311.16531	30.2
311.22275	2.0
312.16760	2.1
341.13876	4.0
361.11115	1.6
370.11301	2.0
383.16974	2.1
398.33109	1.8
411.23822	5.2
429.24750	9.8
449.21799	1.5
471.26199	1.8
515.28204	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	515.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40048	0.9
55.01851	1.3
57.03448	1.8
59.01376	47.2
60.12349	0.9
61.80231	0.9
71.01379	40.7
71.36017	1.1
71.36388	1.8
71.63552	0.9
72.99295	3.6
72.99716	1.0
73.02927	1.5
75.00870	3.2
78.95870	1.1
79.72523	1.0
83.01386	3.2
85.02940	5.8
87.00876	2.5
89.02444	45.0
93.03483	1.5
95.01385	1.5
96.96037	1.4
99.00879	5.7
101.02437	17.5
112.98811	14.3
113.02448	13.3
115.00324	2.1
119.03479	14.0
124.98821	1.3
129.01917	3.1
131.03479	2.4
135.04575	1.5
142.99861	13.7
143.03484	3.6
145.01404	1.7
149.04611	1.4
161.04512	5.1
173.00876	12.9
173.04570	6.2
173.09288	1.5
179.03386	1.5
179.05611	22.3
191.05611	3.3
301.04599	1.0
309.15421	1.1
341.10864	100.0
342.11197	3.3
515.14301	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32929	0.6
50.66568	0.5
54.82047	0.5
55.21139	0.5
59.01381	2.1
67.01902	0.6
69.03446	0.8
69.66711	2.4
71.01382	4.0
83.01395	1.6
85.02941	0.7
89.02465	0.7
93.03447	2.5
96.96024	1.2
99.00880	10.6
103.05709	0.6
108.02164	1.6
111.00867	1.4
111.04467	0.6
114.46381	0.5
119.05059	0.7
123.00909	1.0
123.04514	2.5
124.01665	0.9
131.05026	0.9
132.02150	0.9
133.02975	1.1
134.03719	5.0
135.04512	8.5
137.02429	1.2
143.04996	1.0
145.02914	2.4
146.03734	4.5
147.04523	11.3
147.83772	0.6
148.05318	9.7
149.02356	0.9
149.06087	4.2
150.03236	0.8
153.05574	0.8
158.03799	1.0
159.03125	0.9
159.04495	5.1
160.01656	1.6
160.05295	13.5
161.02455	5.0
161.06075	5.1
162.03220	14.6
162.06866	7.0
163.04050	3.5
163.07640	5.4
164.04771	2.4
171.04547	1.0
172.05252	3.0
173.02415	0.8
173.03189	0.5
173.04533	3.9
173.06059	13.4
174.03215	3.7
174.06688	1.1
175.03998	5.3
175.07634	4.0
176.01221	0.7
176.04781	6.2
177.05569	26.1
177.07123	1.3
178.06340	3.6
179.03510	8.3
179.07147	1.5
184.05322	5.3
185.06018	2.9
186.03226	1.0
187.03995	6.4
187.07657	1.0
188.04790	19.6
189.05566	5.6
190.02710	5.4
190.06363	8.1
191.03665	1.2
191.05597	6.2
191.07147	3.0
192.04253	1.7
193.04993	1.7
193.08742	1.3
194.02121	1.4
195.06505	1.0
199.07640	2.0
201.05583	3.6
202.06342	12.0
203.03528	1.2
203.07121	9.8
204.04283	11.9
205.05045	11.3
205.08679	3.8
206.05763	2.6
207.06636	5.5
213.05544	1.1
214.06325	3.6
215.03535	3.7
216.02164	1.1
216.04257	18.8
217.08687	29.5
218.02180	3.0
218.09070	0.9
219.03023	2.1
219.06604	40.2
220.03738	2.2
220.06891	0.7
221.08199	15.3
223.06079	1.4
229.05045	2.0
229.08702	1.4
230.05775	1.0
231.06607	37.5
232.07022	1.2
233.04570	9.6
234.05237	1.4
235.06116	16.3
246.05197	0.9
247.06129	1.6
247.09801	0.7
249.07674	29.1
250.08272	0.8
251.05594	17.5
258.05396	1.4
261.07736	2.7
265.07172	6.5
265.10104	0.9
268.13959	0.7
273.07599	3.1
291.08771	8.5
293.06659	45.2
294.06949	1.6
309.09787	5.8
323.07751	1.2
341.09048	3.6
353.08749	100.0
354.09180	2.9
393.11880	2.1
411.13104	0.7
413.10919	3.3
515.13940	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	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16992	0.1
56.12144	0.1
56.17142	0.1
59.01371	0.4
61.98832	100.0
62.98516	0.1
65.20256	0.1
65.43644	0.1
71.01380	0.1
71.56066	0.1
82.95429	0.2
85.02981	0.1
89.02492	0.1
96.96023	0.1
101.02471	0.1
165.01675	0.1
251.07396	0.1
253.08719	0.1
272.31964	0.1
322.19794	0.1
323.05664	0.1
454.17319	0.1
454.23795	0.1
454.33978	0.2
514.32477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03431	2.8
58.02969	2.4
58.51168	1.6
59.01378	54.0
63.96686	1.3
68.99796	1.9
69.30668	1.6
69.96955	1.2
71.01381	41.7
71.09459	1.4
72.99284	3.5
73.02930	4.3
75.00859	3.1
81.25277	1.5
82.88007	1.2
83.01375	2.4
83.05024	1.7
85.02949	7.9
85.25151	1.4
87.00871	2.2
89.02442	55.0
93.03464	9.1
95.01368	1.7
99.00879	10.8
101.02438	20.9
105.57971	1.5
106.57895	1.3
110.11617	1.5
111.00879	3.5
111.04512	6.0
112.98820	15.2
113.02438	15.5
115.00381	3.7
117.01092	1.4
119.03492	12.8
129.01909	5.1
129.10347	2.1
130.37143	1.5
131.08253	6.5
133.01425	2.4
133.02722	1.6
135.04498	11.9
137.02373	1.5
142.99847	17.6
143.03517	3.6
145.01460	2.7
149.04477	1.8
149.05986	1.6
155.03482	2.4
160.05261	1.6
161.04553	6.5
162.03285	1.3
172.06070	4.2
172.96698	2.0
173.00894	17.8
173.02208	2.4
173.04541	32.6
173.06032	3.8
173.08057	2.7
173.09308	20.6
174.07689	6.0
177.05484	4.4
179.03459	15.3
179.05598	23.2
188.04742	2.7
190.02701	1.6
191.05592	24.8
202.06229	2.2
205.05026	2.5
213.00024	1.4
216.04292	3.0
217.08690	2.1
219.06587	4.6
221.07988	2.1
231.06578	4.1
235.06142	2.7
238.72643	1.7
249.07637	4.1
251.05696	2.9
252.22878	1.8
265.07031	1.8
293.06653	6.0
314.40744	1.4
341.10873	100.0
342.11072	5.3
353.08771	16.6
379.08206	2.9
474.98782	1.4
480.19037	1.8
515.14264	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	515.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03431	2.8
58.02969	2.4
58.51168	1.6
59.01378	54.0
63.96686	1.3
68.99796	1.9
69.30668	1.6
69.96955	1.2
71.01381	41.7
71.09459	1.4
72.99284	3.5
73.02930	4.3
75.00859	3.1
81.25277	1.5
82.88007	1.2
83.01375	2.4
83.05024	1.7
85.02949	7.9
85.25151	1.4
87.00871	2.2
89.02442	55.0
93.03464	9.1
95.01368	1.7
99.00879	10.8
101.02438	20.9
105.57971	1.5
106.57895	1.3
110.11617	1.5
111.00879	3.5
111.04512	6.0
112.98820	15.2
113.02438	15.5
115.00381	3.7
117.01092	1.4
119.03492	12.8
129.01909	5.1
129.10347	2.1
130.37143	1.5
131.08253	6.5
133.01425	2.4
133.02722	1.6
135.04498	11.9
137.02373	1.5
142.99847	17.6
143.03517	3.6
145.01460	2.7
149.04477	1.8
149.05986	1.6
155.03482	2.4
160.05261	1.6
161.04553	6.5
162.03285	1.3
172.06070	4.2
172.96698	2.0
173.00894	17.8
173.02208	2.4
173.04541	32.6
173.06032	3.8
173.08057	2.7
173.09308	20.6
174.07689	6.0
177.05484	4.4
179.03459	15.3
179.05598	23.2
188.04742	2.7
190.02701	1.6
191.05592	24.8
202.06229	2.2
205.05026	2.5
213.00024	1.4
216.04292	3.0
217.08690	2.1
219.06587	4.6
221.07988	2.1
231.06578	4.1
235.06142	2.7
238.72643	1.7
249.07637	4.1
251.05696	2.9
252.22878	1.8
265.07031	1.8
293.06653	6.0
314.40744	1.4
341.10873	100.0
342.11072	5.3
353.08771	16.6
379.08206	2.9
474.98782	1.4
480.19037	1.8
515.14264	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03440	0.2
58.00573	0.2
59.01374	5.9
59.89368	0.0
59.98527	0.1
63.87213	0.1
65.99723	0.0
69.03458	0.1
69.93197	0.0
69.97396	0.1
69.97797	0.1
71.01375	4.5
72.99300	0.2
73.02941	0.9
75.00887	0.0
81.03442	0.1
83.01379	0.6
83.05022	0.2
85.02944	1.0
86.00113	0.1
86.61248	0.0
87.00864	0.6
89.02439	3.4
91.04020	0.2
95.01385	0.4
97.02946	0.2
98.20589	0.1
98.33086	0.1
99.00865	0.2
99.04519	0.1
101.02432	3.9
102.02777	0.1
103.04001	0.1
113.02448	1.9
113.06091	0.1
115.03970	0.2
119.03485	0.8
125.02473	0.2
127.07643	0.2
131.03522	0.1
133.05074	0.4
143.03535	0.3
145.05031	0.1
148.57854	0.0
149.04491	0.1
157.05054	0.2
161.04556	1.5
179.05595	0.5
181.07071	0.0
182.13181	0.1
197.82484	0.0
205.19543	0.1
233.22725	0.4
235.08203	1.3
253.09256	15.5
254.09637	0.3
259.20612	0.4
275.20135	0.4
277.21680	100.0
278.22025	4.8
278.25302	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01376	6.7
60.99295	0.4
61.98824	6.4
67.01892	4.1
68.10192	0.4
69.03445	0.7
70.30701	0.8
70.31102	0.8
71.01381	4.2
71.05016	1.1
73.02945	1.6
76.07481	0.4
76.40302	0.4
78.04515	0.3
81.03454	2.0
83.05020	9.1
85.02944	1.6
87.00877	1.0
89.02419	0.5
92.33057	0.4
93.03451	23.9
94.03795	0.5
96.95979	1.9
97.02952	0.5
97.06547	0.5
99.04507	0.4
101.02404	0.7
103.04013	2.9
108.41593	0.4
109.02926	0.9
111.00891	1.1
111.04517	5.1
113.02431	0.6
113.09733	0.6
115.04002	1.1
115.07649	3.5
119.05017	1.1
122.06121	0.4
127.03989	1.8
129.05542	0.4
135.04552	0.6
137.02446	4.4
137.09773	0.4
139.07645	6.8
140.10791	0.5
141.05574	0.4
145.05038	1.8
155.03485	4.6
156.10277	1.7
157.07446	0.5
157.08693	8.7
158.11845	2.6
159.06639	0.4
163.04016	0.6
173.04533	100.0
174.04842	1.7
177.15936	0.4
179.03406	0.6
180.13910	0.5
181.12334	1.3
191.05608	5.2
199.09760	4.2
199.13263	0.4
224.12880	1.7
242.13988	1.4
250.15268	0.4
257.10382	0.5
299.78656	0.5
302.84552	0.5
311.16577	2.9
329.15845	0.7
340.21231	15.8
341.21619	1.0
514.26459	9.5
515.27087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01383	4.3
60.99297	0.5
61.98831	5.4
67.01888	4.3
69.03452	0.9
71.01385	4.7
71.05017	0.7
71.55399	0.3
73.02935	0.6
81.03457	2.1
83.05026	8.4
85.02928	1.2
87.00888	0.7
93.03461	25.4
94.03799	0.5
96.96000	2.1
97.06589	0.5
99.00882	0.4
99.04524	0.4
103.04008	1.7
109.02930	0.9
111.00867	1.2
111.04522	5.4
113.02476	0.7
113.09734	1.0
115.04025	0.7
115.07651	2.3
118.14890	0.4
119.05027	0.6
124.00798	0.4
127.04032	1.5
129.01958	0.4
129.05618	0.4
133.02931	0.5
134.03696	0.5
134.24007	0.4
135.04576	0.4
137.02451	3.7
137.09697	0.6
139.07657	6.9
143.89600	0.3
145.05064	1.0
155.03513	4.4
156.10268	2.1
157.08711	8.0
158.11813	2.5
159.06575	0.3
159.97354	0.3
160.54675	0.3
173.04547	100.0
174.04993	1.7
179.03484	0.5
181.12340	1.2
191.05630	6.2
192.05962	0.4
199.09734	3.4
224.12941	1.9
242.13980	1.2
244.26677	0.3
257.10349	0.3
311.16522	3.2
340.21277	16.6
341.21671	0.8
514.27612	15.1
515.27716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	89.3
61.98838	66.6
70.22525	78.5
70.22878	98.1
87.91366	38.1
92.42996	39.9
239.20180	62.6
275.20142	100.0
372.18152	43.8
376.05365	48.7
376.29242	55.0
506.59988	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62788	1.1
65.29074	0.9
67.38440	1.1
71.55306	1.4
78.95905	20.4
79.23336	1.2
83.39902	1.0
96.96935	1.7
97.02423	1.0
115.33162	1.2
152.99580	31.9
171.00584	2.2
209.20746	1.1
215.53183	1.1
227.03230	4.7
250.99791	1.2
283.26425	100.0
284.26736	5.3
284.91180	1.2
402.10471	1.2
421.60202	1.2
511.30350	71.8
512.30859	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	513.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92697	0.3
58.46511	0.3
59.01380	16.0
59.89229	0.3
61.98835	1.9
68.99827	1.6
71.01369	1.6
71.55618	0.5
72.99345	0.3
73.02937	0.6
79.95756	0.3
80.96523	0.5
83.01380	0.3
85.02951	0.9
87.00840	0.5
89.02446	0.8
93.03452	2.7
94.03818	0.3
96.96007	4.3
97.06576	0.3
100.04055	3.6
101.02448	0.8
107.04985	0.3
110.02419	0.4
110.94458	0.3
111.04543	0.3
113.02451	0.7
113.71150	0.3
117.03472	3.9
119.05034	100.0
120.05376	2.2
121.02987	0.6
121.06574	0.4
123.89978	0.3
134.35826	0.3
135.04547	1.0
145.02965	12.9
146.03279	0.3
147.04530	0.6
155.03517	0.5
163.04105	0.5
173.04538	3.2
179.03558	0.6
186.05545	0.3
188.07156	0.4
191.05611	3.3
202.20543	0.3
206.08211	3.8
211.06371	0.4
231.13756	0.4
259.21817	1.0
264.19727	0.7
271.21921	0.6
275.09357	0.3
275.21320	0.4
276.09485	0.4
282.74619	0.3
287.21420	0.6
309.15527	0.3
405.25446	1.0
423.26523	1.4
435.26703	0.6
442.23151	0.4
453.27573	20.3
454.27957	1.3
471.28555	3.9
472.28903	0.4
474.59619	0.3
513.29700	54.9
514.29974	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03440	0.2
58.00594	0.3
59.01376	7.2
60.77703	0.1
69.03450	0.1
71.01377	5.1
72.99307	0.3
73.02940	0.9
78.95864	0.1
81.03488	0.1
83.01379	0.6
83.05041	0.2
85.02949	1.4
87.00871	0.7
89.02439	4.3
91.04012	0.2
95.01379	0.4
97.02966	0.2
97.06586	0.1
99.00878	0.2
99.04517	0.1
101.02437	5.2
103.04046	0.1
111.00889	0.1
111.04509	0.1
113.02448	2.3
115.03996	0.2
119.03501	1.0
124.79108	0.0
125.02449	0.2
127.07640	0.2
129.01971	0.1
131.03508	0.2
133.05107	0.3
134.36275	0.1
136.48175	0.0
143.03485	0.5
149.04529	0.1
157.05048	0.1
159.22371	0.1
161.04549	1.8
179.05652	0.6
182.13101	0.1
205.19550	0.1
233.22740	0.4
235.06033	0.1
235.08200	1.1
235.92413	0.1
253.09268	17.2
254.09673	0.5
257.18958	0.1
259.20676	0.4
275.20023	0.3
277.21689	100.0
278.22028	5.3
278.25299	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
61.98826	8.0
69.28258	2.4
69.28673	0.9
73.48494	0.4
75.00872	1.0
75.06535	0.4
83.01331	0.4
96.95995	0.6
98.22967	0.4
107.01392	0.9
113.23057	0.3
121.02822	0.3
133.02948	2.2
134.03688	0.5
149.02402	0.7
151.00328	2.2
163.04050	0.4
173.04498	0.6
175.03973	1.0
179.03375	0.5
181.05188	0.4
191.05600	1.0
199.03984	1.4
200.04822	0.5
211.04028	0.6
217.04988	0.7
227.03537	0.6
256.03711	1.8
257.04562	0.6
268.03751	0.4
284.03244	39.8
285.04010	84.9
286.04385	3.7
297.04172	0.8
299.05542	0.6
327.04990	3.3
357.06207	0.8
447.09274	100.0
448.09677	6.0
451.32788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87717	1.9
53.20300	2.1
59.60971	2.0
61.98832	11.1
69.97652	4.1
69.98043	4.9
71.82953	2.1
78.48063	2.1
78.95908	4.9
83.83658	2.1
88.98792	4.2
92.00818	2.2
92.75248	1.9
104.98837	2.0
137.36043	2.1
144.44090	2.0
158.06129	2.4
173.81903	2.1
185.02182	6.8
279.23279	100.0
281.24844	6.3
282.25140	7.2
294.06607	2.0
352.26947	2.2
447.09561	2.6
447.25101	31.7
510.28860	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	511.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87573	0.1
55.76626	0.1
59.01381	0.4
61.98824	0.2
69.38534	0.4
69.38953	0.7
77.73422	0.2
80.96514	0.2
93.03440	0.6
97.60496	0.1
98.20644	0.3
117.03463	1.3
119.05018	82.3
120.05352	1.6
120.30954	0.1
135.04602	0.2
145.02943	8.3
163.03995	100.0
164.04320	2.5
173.04512	0.2
191.05566	0.4
195.02611	0.1
203.12865	0.3
205.05026	0.2
270.78452	0.1
325.09256	6.9
326.09641	0.2
329.76154	0.1
349.16547	3.5
349.85095	0.1
391.17371	0.2
492.70337	0.2
511.21906	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	511.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98837	0.9
70.30459	0.3
70.30843	0.5
71.01389	0.6
72.99316	0.2
73.02929	0.3
77.83199	0.1
78.40852	0.1
81.43269	0.2
83.01388	0.2
85.02949	0.4
93.03437	0.7
96.96008	0.4
101.02426	0.5
108.02075	0.2
113.02438	0.4
117.03471	1.7
119.05021	84.7
120.05363	2.1
121.02979	0.2
123.04536	0.3
133.06596	0.2
135.04507	0.3
145.02946	13.1
146.03232	0.3
155.03506	0.2
155.10747	0.4
161.04552	0.2
163.03998	100.0
164.04340	2.3
165.02051	0.2
173.04593	0.9
191.05574	0.5
203.12872	0.6
205.05017	0.7
210.84392	0.2
275.09189	0.2
325.09314	1.2
349.16516	11.1
350.16739	0.5
448.09671	0.3
467.19052	0.4
475.08347	0.2
511.16919	0.2
511.22714	0.4
511.30704	0.3
526.50128	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91392	1.3
59.01375	18.9
61.98827	11.7
70.70248	3.9
71.01379	8.2
73.02933	2.8
80.96512	3.3
85.02940	3.6
87.04504	4.0
87.15810	1.4
89.02453	1.9
89.53379	1.5
93.03436	5.8
95.01350	2.1
96.95987	3.5
97.06599	2.2
101.02414	4.9
113.02422	3.2
119.05011	6.6
121.02995	2.3
122.03732	1.8
135.04472	3.7
137.02405	1.7
149.06062	2.9
173.04532	6.0
174.82274	1.6
186.50206	1.4
191.05548	4.4
213.14775	1.8
225.14938	1.7
243.10199	3.8
311.16489	100.0
312.16809	5.3
327.05139	3.0
341.23291	4.3
349.40021	2.0
447.09399	2.6
473.21854	7.7
509.17044	8.3
509.25125	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	509.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80493	20.1
56.79335	17.3
59.01368	45.7
61.01308	18.1
61.98833	29.1
67.72190	17.2
70.46269	21.7
71.56797	22.5
79.08450	17.8
91.03996	21.7
94.99741	19.5
115.41169	15.9
115.94366	18.7
129.00993	17.0
129.28632	17.3
145.91077	18.3
152.99620	18.7
207.10225	18.7
245.28633	18.1
255.15941	19.5
257.17551	100.0
331.21219	26.4
353.17474	20.1
509.28391	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47888	0.2
56.12661	0.3
57.03453	0.3
58.00586	0.3
59.01377	100.0
60.01717	0.7
61.98838	0.5
68.33265	0.2
69.25807	1.9
71.01381	9.9
72.99313	0.3
73.02940	7.0
75.00884	0.3
78.95918	0.7
81.03494	0.3
83.01389	2.0
85.02943	1.9
87.00835	0.3
89.02445	3.9
95.01428	0.6
96.96011	0.3
97.02988	0.4
98.19839	0.5
101.02434	7.2
109.06618	0.4
110.98538	0.6
113.02448	5.6
119.03493	1.3
125.02428	0.4
131.03514	0.8
143.03491	0.8
149.04559	0.8
155.03587	0.3
161.04584	1.2
163.11299	0.4
171.10295	1.5
179.05632	0.5
181.12352	0.2
199.09796	0.7
207.10309	0.8
209.11861	1.2
225.11369	0.7
241.39543	0.3
255.03038	1.5
283.02600	0.8
284.03360	0.3
298.05023	0.3
314.38977	0.2
464.73245	0.3
467.30630	0.4
509.18460	1.0
509.27869	0.3
534.17151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17190	0.7
61.98826	3.8
64.36613	0.7
70.93276	2.0
83.01351	0.7
106.33337	0.7
109.02943	2.2
112.07597	0.7
119.04996	1.6
121.02943	1.3
123.47180	0.7
125.02442	0.9
133.02002	0.6
133.02937	10.9
135.04504	0.9
147.04489	1.0
149.02400	1.1
161.02388	1.4
163.00386	1.5
163.03990	3.0
165.01913	1.9
175.04012	3.2
177.01865	0.9
191.03513	1.8
193.01364	1.0
199.04056	1.1
201.01939	1.1
227.07004	0.9
241.05115	0.9
253.05080	0.8
255.02974	1.0
269.04584	0.9
271.06262	0.8
284.03214	9.8
285.04044	6.2
297.04031	14.9
298.04706	8.1
299.05594	17.4
300.05862	1.0
309.04193	0.9
311.05576	3.3
323.00577	0.8
327.05078	100.0
328.05475	5.3
339.05051	2.3
349.26218	0.7
357.06131	25.5
369.06100	2.7
393.06271	1.1
447.09299	92.6
448.09378	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	509.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67285	1.0
59.01376	11.5
61.98826	7.3
64.29856	1.0
67.97248	1.0
70.02970	2.3
70.40395	3.7
71.01385	9.0
72.99296	2.0
73.02942	2.8
74.02465	8.4
75.00882	2.9
82.01331	0.9
83.01399	1.8
83.05032	2.2
85.02943	18.0
87.00870	4.9
89.02463	3.0
93.03454	10.3
96.95980	1.9
97.04092	1.9
98.68558	1.0
99.00877	3.2
99.95089	1.2
100.00387	1.4
101.02461	2.6
109.02934	1.6
109.09028	1.0
111.04488	4.9
113.02448	3.1
116.05093	2.6
116.21526	0.9
125.89584	0.9
127.04037	3.0
129.01959	1.9
137.02544	1.8
149.00711	3.0
149.04643	1.1
150.01448	2.2
151.02168	1.3
155.03520	5.8
163.00948	3.8
163.02267	4.6
164.01765	3.9
170.02498	1.5
171.03035	1.1
173.04543	11.4
173.05916	1.7
174.00191	3.0
176.01741	60.7
177.02054	1.4
179.05647	1.8
183.03233	1.6
188.01758	4.2
189.02556	10.3
190.03311	25.5
190.97739	1.2
191.00510	4.5
191.05597	95.8
192.01221	1.7
192.04811	15.7
195.10135	1.6
201.99664	1.6
202.03293	3.7
204.04863	43.7
205.05080	1.3
213.06664	1.8
216.01215	21.8
218.02800	11.9
219.03645	3.6
220.00780	5.5
220.04300	5.9
229.12366	4.0
230.02774	3.8
231.10252	1.6
234.02298	3.6
239.04599	1.5
245.03979	1.7
247.05437	100.0
248.03842	3.5
248.05962	2.4
260.00189	15.6
272.47812	1.0
273.03375	63.6
274.03781	2.8
287.14005	4.7
287.21951	1.1
289.02655	1.2
291.04431	26.9
291.12341	2.5
299.99820	1.9
317.02469	5.9
335.03391	53.8
336.03784	2.8
344.24222	2.5
345.24634	2.5
346.25485	10.7
347.26248	2.5
347.35699	1.1
442.51141	1.1
449.19894	1.8
491.20706	1.9
508.30927	4.8
509.08780	46.2
509.16663	3.9
509.30624	3.7
510.09100	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	509.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33519	0.5
52.34563	0.5
55.80788	0.4
57.10856	0.4
59.01392	1.0
63.12400	0.4
68.30776	0.6
69.00929	1.4
71.01377	1.1
71.54007	0.5
75.00889	0.4
87.00877	0.5
88.22334	0.4
89.02449	1.2
96.02037	3.3
96.04547	0.9
97.00432	1.0
99.00899	0.7
101.23435	0.4
108.02174	1.4
112.94637	0.4
113.02397	0.4
117.37043	0.4
123.04530	1.1
124.01527	18.9
131.12756	0.4
133.05063	1.4
142.02547	0.6
150.06883	0.4
152.01146	2.0
165.04054	1.6
167.02112	100.0
167.03415	5.7
168.02379	1.6
168.06645	3.2
191.05641	0.6
259.72610	0.5
270.84769	0.4
315.07092	0.5
329.08878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36403	0.4
53.36656	0.4
58.39212	0.4
59.01376	1.3
61.98827	3.0
70.13403	1.8
72.36526	0.5
78.95901	100.0
84.17999	0.4
84.33192	0.5
85.02954	0.4
93.03445	0.5
96.96964	8.1
140.01170	0.5
152.99577	18.7
153.00816	0.9
171.00636	19.7
171.10281	0.5
173.04498	1.0
191.05586	1.4
311.22305	2.3
392.59467	0.4
404.87973	0.5
416.21985	0.5
434.23233	2.0
508.26767	75.5
509.27167	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	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93593	0.4
53.11686	0.4
54.86288	0.4
59.01388	2.7
61.98822	1.8
62.12935	0.4
62.98101	0.4
78.95902	100.0
80.65775	0.4
93.03447	0.4
96.96962	7.7
130.97806	0.4
138.05658	1.0
140.01205	1.2
152.99579	17.3
160.00763	1.2
167.02042	0.8
170.25439	0.4
171.00638	19.4
171.10265	1.5
173.04501	0.6
181.12329	0.5
191.05615	1.5
197.11810	0.9
209.11800	0.6
211.13365	1.7
214.04846	1.4
240.10361	0.9
284.09381	0.9
293.21204	2.5
296.98636	0.5
311.22284	11.6
312.22525	0.9
434.23315	2.0
508.26776	74.2
509.20398	0.7
509.27124	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	509.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03453	2.2
58.00583	1.8
59.01379	37.7
61.98814	4.5
67.01891	2.0
68.40665	1.1
70.02973	1.7
70.17883	4.4
71.01379	40.3
71.05023	1.3
72.01727	1.6
72.99307	4.8
73.02957	10.8
74.02468	7.3
75.00878	5.4
79.95741	1.0
80.28454	1.0
81.03460	1.3
81.09745	1.3
81.97520	1.0
82.02512	1.1
82.48933	1.1
83.01392	5.6
83.05016	2.8
83.68901	1.1
85.02949	26.8
87.00883	6.0
89.02445	25.9
93.03464	15.3
95.01391	1.4
96.96010	33.8
97.04080	3.2
99.00878	4.4
99.04488	1.3
100.00397	2.0
101.02446	23.6
102.02803	2.5
109.02990	1.2
111.00913	2.7
111.04524	7.5
113.02435	9.6
113.14280	1.3
114.02735	1.0
116.05073	2.4
119.03500	5.4
127.04011	3.5
129.01924	2.3
131.03510	6.6
135.04593	1.4
136.01645	1.8
137.02403	2.4
142.77112	1.0
144.04582	1.3
149.00650	2.2
149.04543	15.3
150.01506	2.0
151.02144	1.7
151.03981	2.3
155.03552	6.0
158.06038	1.8
160.00696	1.3
161.04536	3.9
163.00951	5.1
163.02248	5.2
164.01704	3.5
165.05487	1.1
173.04535	27.3
173.06033	1.4
174.00154	2.9
176.01741	71.5
177.02168	1.1
179.05589	3.7
183.03180	1.4
188.01767	3.5
189.02559	11.4
190.03308	28.0
191.00424	4.1
191.05595	89.0
192.04857	18.6
195.06540	1.7
202.03304	2.6
204.04860	53.8
205.05203	1.5
213.06805	2.7
216.01257	17.9
218.02802	13.8
219.03577	4.2
220.00726	9.0
220.04286	7.1
229.12257	2.0
230.02808	4.3
231.10036	1.5
234.02277	4.3
239.04565	1.4
245.03780	2.2
246.02116	1.2
247.05435	100.0
248.03784	4.9
248.05824	3.2
260.00189	15.6
273.03384	49.2
274.03592	2.8
274.06467	1.2
275.22800	1.2
286.20880	1.1
291.04468	25.7
291.12256	1.4
293.91818	1.3
294.20660	2.6
296.22134	4.7
299.01578	1.5
308.21729	1.8
314.22784	1.6
317.02328	9.2
335.03418	59.6
335.16870	5.8
336.03723	2.8
344.24338	5.2
345.24738	5.7
346.25159	13.8
347.25867	3.6
447.09451	1.2
449.23828	3.7
461.72687	1.3
467.21307	1.3
508.22791	2.2
508.30664	61.2
509.08719	72.1
509.22369	6.2
509.30997	26.4
510.09073	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	507.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
59.01368	2.1
63.18299	0.5
68.19031	0.5
70.54310	1.4
70.54675	0.9
71.01380	1.5
72.99321	1.2
73.02919	0.9
73.21168	0.6
75.00874	17.0
77.41196	0.7
85.02979	0.7
87.00877	12.8
89.02452	1.7
99.00897	1.9
101.02445	1.0
105.01267	1.2
105.01938	14.0
105.02637	0.7
108.02142	0.9
117.01936	1.3
123.07762	0.6
129.01938	3.8
147.02988	4.0
165.04042	100.0
166.04431	0.7
180.74741	0.6
191.05666	1.2
298.01141	0.7
315.07312	1.6
374.81699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40640	0.2
55.01873	3.0
57.03445	3.1
58.00594	1.5
59.01377	27.9
60.01713	0.2
60.68141	0.2
61.44786	0.2
61.63784	0.2
61.98828	0.8
65.08756	0.2
67.01878	0.3
68.99835	0.3
69.03448	0.6
69.26782	1.6
71.01379	48.8
71.55917	0.2
72.01732	0.4
72.99308	2.0
73.02942	12.9
75.00860	1.1
78.95906	0.9
81.03461	0.3
83.01381	6.6
84.02171	0.5
85.02946	22.8
86.00106	0.3
87.00871	3.1
89.02440	11.6
93.03458	1.0
95.01385	3.9
96.96033	0.3
97.02959	1.0
97.06631	0.4
99.00875	6.3
101.02438	35.9
102.02782	0.2
107.27605	0.2
111.00890	1.5
111.04504	0.5
113.02443	19.0
114.02753	0.2
119.03496	4.5
119.04997	0.3
125.02442	1.2
129.01915	1.1
131.03508	0.6
135.04495	0.5
137.02458	0.4
141.01878	0.2
143.03487	2.3
149.04558	0.4
155.03517	0.2
157.12358	0.3
159.02985	4.3
161.04552	20.3
162.05048	0.2
163.03983	0.3
171.13911	0.7
173.04562	1.7
174.04855	0.3
179.03481	0.3
179.05592	1.2
191.05600	2.4
192.05904	0.4
202.06424	0.2
205.03532	0.4
205.41743	0.2
215.41524	0.2
229.08801	0.2
233.75058	0.2
260.63287	0.2
275.09036	0.2
299.25873	2.0
300.26334	0.2
345.30078	13.4
346.30344	0.9
374.05682	0.3
507.35333	100.0
508.35635	7.7
533.25574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03236	1.1
57.03458	1.6
59.01381	9.6
61.98829	53.8
63.02385	1.0
64.69096	0.8
69.70182	3.8
69.70596	1.9
71.01382	5.9
73.02950	1.5
75.00864	5.5
80.14970	0.7
85.02947	12.6
87.00880	2.5
88.98753	1.0
89.02425	1.3
93.03458	1.3
95.01393	3.1
96.96033	1.6
98.19886	1.1
99.00890	4.1
101.02429	1.1
103.00371	2.1
107.01349	1.1
111.07269	0.9
113.02445	28.5
115.00367	1.4
117.01911	0.8
117.03445	3.7
119.05022	4.3
120.05337	1.1
129.01913	1.9
135.04510	4.9
139.25548	0.8
151.00378	1.6
175.02481	12.7
181.10114	0.9
191.05582	1.8
197.06099	1.3
225.05487	1.3
238.33438	0.9
269.04535	100.0
270.04901	4.3
291.12439	1.1
335.11337	1.2
445.01611	0.9
445.07739	17.8
454.84018	0.9
471.28806	4.1
472.28946	3.4
507.27432	1.4
508.28259	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	506.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28480	0.2
56.90092	0.2
59.01377	3.1
60.01715	0.3
60.06426	0.2
61.98827	100.0
62.58702	0.2
64.36950	0.2
69.71527	0.2
71.01370	0.8
71.56309	0.3
72.99316	0.6
73.02962	0.2
75.00854	0.3
81.00296	0.2
85.02988	0.3
87.00870	0.3
88.98822	0.2
89.02436	0.4
93.03471	0.3
96.96020	0.7
101.02435	0.6
105.01916	0.3
113.02470	0.5
120.36498	0.2
125.09682	0.2
132.51654	0.2
135.04550	0.2
154.56190	0.2
173.04593	0.6
191.05664	0.5
295.56625	0.2
309.32242	0.2
344.24564	0.2
447.26193	0.2
464.22736	0.2
506.28049	0.7
507.29086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97868	0.3
55.01883	1.6
57.03436	1.4
58.00593	1.5
59.01383	28.8
68.27491	0.3
69.03457	0.4
71.01383	21.5
71.31770	0.4
72.99323	1.6
73.02950	5.0
81.02197	0.6
83.01385	3.0
85.02952	8.5
87.00877	1.3
89.02451	12.4
95.01377	1.8
99.00862	1.6
101.02448	15.4
111.00862	1.4
113.02453	7.5
119.03515	4.1
131.03430	0.5
143.03506	0.6
159.02954	1.4
161.04539	1.8
179.05579	0.6
191.05690	0.3
191.74451	0.4
200.39337	0.3
204.48851	0.3
237.18610	0.4
238.18103	0.4
255.19594	0.8
264.19550	0.6
267.19604	0.6
276.19754	0.5
285.20654	1.8
294.20728	5.2
296.22284	0.9
306.20627	1.9
312.21973	1.7
324.21808	0.7
326.23294	0.4
344.24408	19.0
345.24731	0.8
382.69504	0.3
486.26929	0.4
506.29691	100.0
507.29965	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	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03428	1.3
58.00581	0.8
59.01376	12.6
59.86167	0.3
61.84487	0.3
68.35780	0.3
69.03437	0.5
69.24959	3.0
71.01378	15.5
72.99304	1.2
73.02943	7.4
81.02184	0.8
83.01377	4.5
85.02943	9.5
86.83583	0.3
87.00872	1.7
89.02435	2.7
95.01349	1.7
97.02933	0.6
98.20696	0.5
98.77094	0.4
99.00874	2.0
101.02435	13.0
111.00877	1.9
113.02443	6.0
119.03488	0.6
125.02438	0.5
129.01932	0.5
144.72086	0.3
159.02924	1.0
161.04523	1.0
179.95786	0.3
187.31165	0.4
197.15434	0.7
199.17046	0.4
206.15321	0.5
220.16994	1.0
227.16536	0.5
227.20135	0.5
237.18573	0.8
238.18074	1.0
245.43240	0.4
255.19585	2.3
264.19650	1.4
265.18094	0.5
267.19577	1.2
276.19611	0.5
278.21243	1.4
282.21017	0.4
285.20694	6.1
286.20728	0.5
290.21210	0.7
294.20718	6.3
296.22278	0.9
306.20670	4.8
312.21771	1.1
324.21774	1.3
326.23431	0.4
333.77283	0.3
344.24380	42.2
345.24652	2.0
403.17712	0.3
468.25879	0.4
506.29633	100.0
507.30008	8.0
509.66965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03091	0.2
55.01870	1.1
57.03427	0.9
58.00590	0.7
59.01378	5.5
61.98825	12.8
69.08613	0.2
69.25638	0.2
69.41394	0.3
69.41791	1.3
69.92930	0.2
70.02953	0.2
71.01379	10.2
71.05006	0.8
72.99306	0.4
73.02943	4.3
75.00880	0.3
81.02197	0.7
81.03445	0.2
83.01389	2.0
84.02139	0.2
85.02457	0.3
85.02950	5.7
87.00864	0.4
89.02422	0.7
91.71856	0.2
95.01379	0.9
96.04604	0.2
98.02473	0.4
99.00891	1.4
101.02434	7.7
102.02770	0.2
105.01904	0.2
113.02444	3.4
115.07646	0.4
133.72662	0.2
143.03525	0.3
155.14450	0.3
159.03026	0.5
161.04514	2.3
164.99280	0.2
169.15935	0.4
176.56091	0.2
178.15968	0.3
180.13947	0.2
183.13843	0.7
192.13997	0.3
197.15398	1.3
199.16994	0.8
204.17499	0.2
206.15506	1.0
209.15414	0.3
211.17059	0.2
218.15413	0.3
220.17033	1.5
225.18610	0.6
227.16524	1.5
227.20155	0.4
229.18089	0.7
232.17039	0.4
236.20207	0.3
237.18553	1.0
238.18079	1.6
239.16583	0.4
239.20001	0.3
241.18024	0.4
249.18607	1.2
250.18015	0.2
255.19647	4.6
256.20084	0.3
257.21182	0.4
260.20212	0.4
264.19662	3.1
265.17984	0.5
267.19678	1.1
268.19214	0.3
276.19638	0.4
278.21210	2.5
282.20743	0.8
283.19113	0.7
285.20691	12.1
286.20517	0.8
290.21246	0.6
292.19604	0.2
294.20709	5.0
295.21298	0.4
296.22226	1.1
306.20709	6.7
307.20724	0.4
308.22183	0.5
312.21820	0.6
324.21802	2.0
342.22858	0.4
344.24371	100.0
345.24677	5.2
500.26575	0.2
506.29559	22.5
507.29831	1.5
518.31927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61602	1.4
52.22883	1.6
59.01371	5.9
59.25134	1.5
61.75494	1.2
61.98824	3.0
66.23429	1.0
69.18211	10.6
69.18625	3.0
78.95915	2.9
81.03458	1.9
82.88663	1.3
83.05018	5.2
84.19564	1.4
85.02977	1.5
93.03439	1.8
95.05032	7.8
96.96014	12.1
97.06599	9.3
98.19881	3.1
109.06605	2.3
111.00845	1.7
111.08192	11.2
121.02932	1.7
147.11740	1.8
152.91751	2.3
161.31523	1.3
163.11288	3.9
165.12845	100.0
166.13162	3.2
167.02022	1.5
173.04533	2.3
185.09494	1.5
186.91553	1.3
191.05577	1.9
197.15463	53.6
205.12038	4.7
209.11832	5.4
227.12924	1.7
231.10014	17.1
241.14439	43.4
246.12350	2.6
249.11070	11.7
263.12497	1.4
278.11380	12.5
315.19351	4.1
353.24704	9.5
362.08331	1.3
427.11191	2.1
429.26349	12.3
430.26376	1.4
447.13171	6.8
505.08575	1.4
505.27811	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.80301	0.7
56.27359	0.7
56.70180	0.7
57.03427	2.7
59.01383	12.1
61.98817	3.1
68.52734	0.7
68.99804	0.7
71.01010	1.0
71.01382	13.6
72.99310	4.6
73.02942	1.5
75.00880	12.5
78.95904	2.7
82.95401	1.0
83.01385	1.3
85.02956	20.3
87.00883	5.9
87.71404	0.6
89.02441	3.1
92.29462	0.8
95.01398	4.8
99.00883	9.2
102.50536	0.8
103.00364	2.3
110.98541	3.1
111.00891	1.1
112.01657	0.7
113.02452	24.4
115.00375	1.0
117.01938	2.2
129.01912	2.3
151.74384	0.6
152.99565	1.3
157.01404	1.1
159.66710	0.8
167.01123	0.9
175.02542	3.4
185.02180	3.9
205.07144	2.3
205.45703	0.7
249.06126	4.8
253.21777	1.0
255.23293	69.9
256.23648	2.4
267.07233	5.6
278.94812	0.8
279.20407	1.5
279.23276	16.3
280.23666	0.8
337.18958	0.8
350.34485	0.8
447.25330	5.2
487.29117	1.4
505.22238	3.8
505.30157	100.0
506.22949	1.1
506.30316	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.4
59.01377	30.1
61.98835	2.0
70.60996	2.7
71.01378	27.0
72.00903	10.9
72.99282	1.2
73.02941	0.9
76.05341	0.8
79.63083	0.8
85.02920	3.1
87.00862	2.4
89.02439	32.6
94.81953	0.8
95.01400	1.1
98.20167	1.5
101.02435	12.9
102.42163	0.8
103.05508	1.2
113.02442	12.1
115.00361	2.0
116.97242	0.8
119.03507	12.6
119.04980	2.2
120.05382	0.9
131.03476	1.9
136.53517	1.1
143.03485	4.3
147.04515	42.6
149.04544	2.0
161.04565	4.7
163.03944	1.0
164.07153	88.1
165.07451	1.9
179.04132	1.6
179.05592	21.5
221.04526	0.9
253.06905	1.0
341.10855	100.0
342.11124	3.3
361.82294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.01147	2.6
71.23166	4.6
76.69308	2.9
98.64120	2.9
113.10688	2.5
129.82419	3.0
215.43736	2.7
225.99779	3.2
339.65964	2.9
529.36328	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.135
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03425	0.3
58.31639	0.2
59.01375	3.8
61.98820	0.3
63.02392	2.3
65.00323	5.4
70.69473	0.8
71.01377	1.6
73.02947	0.6
75.00898	0.3
81.03443	0.2
83.01379	3.2
85.02954	0.7
87.00858	0.6
88.15041	0.3
89.02436	0.4
93.03458	1.1
95.01400	0.2
96.96018	0.6
97.02917	0.3
101.02438	0.8
107.01382	9.6
108.02168	4.3
109.02988	0.3
113.02454	0.6
115.00349	0.5
121.02944	0.3
123.04529	2.4
125.01635	0.2
125.02388	1.3
131.01405	0.3
134.03732	19.4
135.04535	0.7
136.01656	1.0
144.15810	0.2
149.02414	0.3
149.06067	13.2
149.99440	0.3
150.06400	0.4
151.00357	33.0
152.00751	0.5
164.01151	3.8
165.01926	1.9
169.01398	0.9
173.04494	0.9
174.03172	0.5
175.00391	1.0
175.02515	0.6
175.03894	0.4
177.01926	4.7
179.03394	0.2
191.05635	1.5
193.01427	1.0
196.00130	1.8
199.03955	0.7
201.01932	0.6
215.03442	0.3
242.05740	0.6
257.08032	0.5
258.05283	0.3
268.03787	0.3
277.12381	0.4
283.19315	0.3
285.04062	0.7
286.04810	1.8
301.07150	100.0
302.07489	4.7
325.07068	0.7
331.11859	0.2
343.08301	3.0
344.08682	0.4
445.24619	0.4
459.57550	0.2
461.23657	0.3
463.25491	1.0
505.13870	0.3
505.26642	5.4
505.33603	0.5
506.26794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12256	0.8
57.03445	1.9
58.02972	3.9
59.01381	33.9
61.98830	2.7
67.01889	1.7
69.03493	0.9
71.01384	13.4
71.56248	0.9
72.99343	0.8
73.02963	4.0
74.02471	10.9
75.00877	1.2
78.95956	0.9
81.03514	0.9
83.05038	1.7
85.02962	7.2
87.00878	3.4
89.02433	4.4
93.03455	14.4
96.96029	10.1
97.06593	2.7
99.00886	3.2
99.05640	6.4
101.02453	7.4
109.02992	1.0
111.04531	3.6
113.02473	6.5
115.00392	1.0
119.03505	1.0
119.05021	1.1
122.28508	0.8
125.02480	1.4
127.11202	1.2
131.03534	0.8
131.04597	1.7
133.02956	2.3
134.03775	1.1
135.04529	2.7
137.02443	12.6
143.03584	1.1
143.04626	22.9
147.04558	1.0
153.09326	0.9
155.03511	2.2
159.04512	0.7
161.04533	3.8
169.06564	2.1
171.10323	1.0
173.04550	17.0
173.06044	1.2
174.04884	1.3
175.03918	1.0
177.03387	62.0
178.03810	1.0
179.05487	1.1
183.13890	2.4
189.05609	1.5
189.12885	1.5
191.05605	19.5
192.05963	1.7
209.11804	5.4
211.13364	1.2
253.09235	2.3
269.17511	3.3
271.09619	1.2
275.09253	2.2
283.17090	6.3
287.12955	1.1
327.16046	8.5
328.16446	1.0
331.11899	1.2
343.14407	4.5
361.14795	100.0
362.15195	5.7
431.26660	1.4
449.14581	1.1
463.22009	3.9
505.19843	12.0
505.33542	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	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01374	0.8
59.77840	0.3
63.10251	0.3
69.32381	1.8
69.32813	1.1
75.22816	0.3
78.95903	10.6
82.92537	0.4
83.05006	0.4
96.96974	1.0
127.07497	0.4
152.99577	18.1
171.00652	1.2
177.76454	0.3
211.40625	0.4
227.03265	2.8
233.22694	0.6
245.04332	2.4
259.20551	0.7
275.20212	0.5
277.21701	100.0
278.22015	4.7
279.23264	1.0
280.23724	2.0
308.89191	0.4
310.22141	0.3
505.25690	36.0
506.26193	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	503.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31332	0.5
59.01381	100.0
59.60175	0.6
61.98827	1.6
69.39146	1.1
69.39548	3.7
71.01395	2.0
73.02953	1.0
79.95748	0.5
85.02983	1.6
88.00285	0.7
89.02444	1.3
96.96014	13.2
99.00826	0.6
101.02412	1.1
125.81693	0.5
126.74514	0.6
135.04596	0.6
167.03516	1.2
173.04608	2.3
175.20322	0.6
178.12482	1.3
191.05811	1.1
208.13567	1.7
224.13031	1.3
293.22278	0.9
309.22006	1.7
351.22989	1.1
359.25391	3.4
369.24146	1.0
383.25510	18.2
384.25815	0.8
395.52441	0.7
399.07703	0.6
401.26578	3.4
443.27631	33.3
444.28082	1.8
493.87784	0.6
500.87875	0.7
503.26688	1.6
505.87805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.00576	1.0
59.01379	100.0
60.01712	3.2
61.01792	1.4
61.98819	3.2
71.01374	15.2
71.01727	1.4
72.99316	1.2
73.02937	3.3
81.03447	1.2
83.01383	2.4
83.05017	1.8
84.09214	1.0
85.02943	10.0
87.00871	3.0
87.04513	1.5
89.02425	6.8
93.03424	4.7
95.01388	2.2
98.20698	1.7
99.00868	1.3
101.02441	8.9
101.06076	1.4
108.33417	1.1
110.84374	1.1
113.02447	10.2
115.00332	1.1
119.03482	2.3
125.02449	1.1
133.02948	2.6
135.04515	1.8
136.12111	1.0
137.02438	1.9
139.38217	0.9
143.03535	1.5
147.14136	0.9
147.62973	1.2
161.04543	3.1
173.04535	10.9
175.02539	1.0
176.74142	1.0
180.40361	1.1
184.69438	1.0
191.05710	5.9
209.11859	2.1
211.13443	1.5
223.13365	1.7
229.14273	1.4
249.14685	1.6
275.09293	2.4
286.03925	1.1
301.22644	1.1
329.23303	5.0
341.26782	1.9
359.28061	1.5
373.09418	1.4
399.23959	6.9
417.24884	10.6
459.26096	1.7
503.25961	2.1
503.33377	7.9
504.31985	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	503.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11144	0.4
53.55119	0.4
55.01867	0.7
57.03447	0.8
59.01377	100.0
60.01726	0.6
61.28187	0.4
61.62681	0.4
61.98833	1.1
69.03486	0.4
69.28900	4.0
71.01380	6.0
71.05041	0.6
71.80827	0.4
72.99346	0.4
73.02942	4.3
75.00895	0.6
77.83372	0.4
78.95911	0.7
80.54029	0.4
83.01393	1.3
83.05067	0.5
85.02955	3.7
87.00862	1.0
88.97071	0.4
89.02474	1.2
93.03468	0.6
95.01422	1.5
96.96051	1.3
98.02489	1.1
99.00908	1.5
99.92619	0.7
100.04057	1.0
101.02441	5.9
111.00880	3.0
113.02452	2.2
116.92857	8.1
117.01943	2.1
125.09746	1.4
127.00381	1.4
129.02048	0.4
130.05127	0.6
141.01921	4.0
142.02281	1.6
162.12885	1.0
173.04573	0.7
179.03568	0.7
187.09775	1.0
191.05634	0.5
195.35490	0.4
208.13519	0.8
224.12880	0.8
226.09732	0.4
253.17989	0.5
262.18036	0.5
276.19696	0.9
280.19260	0.9
283.19177	1.3
292.19247	0.8
293.22409	1.4
297.07880	0.6
304.19180	1.5
305.22360	0.7
309.21872	0.8
342.22800	19.4
351.23050	1.0
359.25589	1.2
360.23920	0.5
361.24307	1.9
369.24054	1.0
383.07788	1.5
383.25482	14.5
401.26590	6.0
402.26929	0.6
443.27591	13.8
444.27576	0.9
503.11597	1.0
503.16684	1.1
504.28131	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	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03437	4.7
58.00599	1.7
59.01382	89.4
60.01705	1.4
61.44810	1.4
61.98835	18.8
67.01911	1.9
71.01385	42.3
71.05009	1.9
72.99294	2.6
73.02949	22.0
73.79659	1.2
75.00867	2.0
75.20284	1.4
77.73386	1.3
78.95902	2.8
79.48704	1.3
82.95409	1.7
83.01399	9.3
85.02959	21.2
86.00096	1.5
87.00873	6.2
87.04532	1.7
89.02444	11.3
93.03459	7.6
95.01380	2.1
96.96031	6.2
97.02914	2.1
99.00860	4.9
101.02448	27.0
111.04516	3.2
113.02454	20.1
117.03448	1.4
119.03479	4.3
119.05056	2.7
125.02484	1.6
126.76279	1.3
131.03439	1.6
133.02968	3.7
134.03732	1.7
135.04536	6.4
137.02411	2.1
137.27040	1.4
143.03485	2.6
155.03526	2.7
159.02927	1.5
161.02449	1.8
161.04538	7.9
167.95705	1.5
173.04535	30.0
177.03348	1.3
178.02670	1.6
179.03532	1.6
179.10869	1.4
191.05644	10.4
237.14941	3.5
255.15985	2.0
269.04483	1.4
275.09247	4.2
281.17258	1.7
285.04044	1.6
293.10339	2.8
311.15106	2.3
327.05032	2.2
329.23190	2.8
341.17557	1.7
399.20151	3.9
417.21094	11.5
441.21201	1.7
449.14359	3.6
459.22366	100.0
460.22589	5.6
467.15656	1.6
485.30206	1.7
503.25104	12.6
503.32150	18.4
504.24930	2.2
504.32892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03431	0.9
58.00595	0.6
58.65537	0.3
59.01380	17.5
61.00662	0.4
61.98819	1.0
67.01893	0.6
69.03466	0.7
70.47913	1.2
71.01380	9.7
72.99298	0.8
73.02952	2.1
73.54415	0.3
82.35967	0.4
83.01372	1.2
83.05014	0.5
85.02953	3.4
87.00857	2.0
89.02443	5.9
93.03459	2.3
95.01385	1.0
97.02899	0.6
97.06551	0.5
99.00861	0.9
101.02437	7.0
105.01899	0.8
111.04520	0.6
113.02450	5.4
115.00404	0.5
119.03530	2.2
119.05003	0.4
133.02940	0.8
134.03711	0.5
135.04532	0.7
137.02386	0.4
143.03502	1.3
149.04524	0.4
155.03543	0.8
161.04555	2.8
163.11378	0.6
173.03113	0.6
173.04527	6.5
175.02391	0.6
175.25072	0.3
177.01909	0.5
179.03543	0.3
179.05603	0.7
191.05612	3.9
205.12279	0.7
209.11826	0.9
211.13377	0.8
223.13379	100.0
224.13690	3.9
235.08176	1.4
253.09283	11.1
267.12354	1.2
275.09338	0.8
329.07788	0.5
329.23279	1.9
359.27924	0.8
399.23950	0.5
415.25040	0.4
417.25665	0.4
449.14392	0.8
455.80679	0.4
503.21323	47.2
503.32712	3.2
504.21695	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2417
Annotation	Millewanin B
Peak:m/z	Relative Intensity
50.78058	0.6
65.35438	0.8
69.21138	2.4
69.21556	4.1
72.81345	0.6
78.95905	43.5
83.15856	0.7
89.09404	0.7
96.91047	0.7
96.96983	3.9
98.20614	1.5
150.98059	1.2
152.99596	61.4
171.00641	18.8
217.99802	0.7
227.03268	2.6
229.19579	1.0
231.21196	29.8
245.04312	100.0
245.19156	1.3
246.04758	2.1
275.20172	49.7
276.20502	2.8
503.24152	43.4
504.24463	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57415	0.9
57.03445	1.2
59.01378	100.0
61.98824	2.1
65.99675	1.0
69.24797	1.1
71.01384	15.9
73.02940	4.3
80.50248	1.0
83.01390	2.4
85.02940	6.5
87.00857	1.4
87.88280	1.3
89.02450	5.5
93.03461	4.2
94.03796	1.0
95.01399	1.5
96.96017	4.9
98.20715	1.7
99.00899	2.1
101.02451	8.8
112.21896	1.0
113.02448	9.1
119.03509	1.5
125.02413	1.2
133.02945	1.3
143.03563	1.5
146.08203	1.3
147.04683	1.0
147.86827	1.2
157.97395	1.0
161.04515	3.9
173.04530	8.7
179.05597	1.5
191.05617	4.8
255.19862	1.5
277.12173	2.8
285.03860	1.9
341.14197	2.0
399.23880	8.7
406.22729	1.1
417.24991	7.1
449.14212	1.4
503.32916	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	502.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74296	0.5
57.03442	1.7
58.02965	3.3
58.91470	0.5
59.01157	0.5
59.01381	6.6
61.98837	0.7
70.02962	2.1
71.01382	3.8
71.54839	0.6
73.46960	0.5
74.02470	12.3
74.68890	0.6
80.70566	0.5
84.04539	10.0
85.02962	0.7
87.00871	2.5
88.04034	25.8
89.02433	5.3
98.02475	3.0
98.06097	1.8
99.00883	0.6
99.04517	2.1
101.02448	3.2
109.17237	0.5
113.02441	2.2
114.05586	1.3
116.03535	7.0
116.07201	0.9
118.05103	3.1
119.03484	1.7
128.03537	6.4
130.05096	9.0
131.03519	1.7
143.03467	0.8
159.02960	0.8
160.06143	100.0
161.00938	0.7
161.04532	4.6
161.06476	1.7
167.03499	0.6
173.04556	1.1
177.65448	0.6
179.05579	3.5
191.05627	2.4
216.41109	0.7
221.06650	1.2
243.22774	0.6
261.81882	0.5
323.09921	0.8
341.07935	0.5
341.10931	5.7
503.16068	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
57.03442	2.0
59.01384	7.0
60.75754	0.8
61.98833	5.3
67.01882	1.4
68.99815	2.8
69.03460	1.1
69.28427	5.9
69.28844	1.6
70.02990	1.7
71.01385	15.8
72.63873	0.7
72.99299	2.4
73.02952	14.6
75.00883	7.2
75.13460	0.9
81.02187	1.1
82.02972	0.9
82.10078	0.7
83.01368	5.6
85.02959	6.9
87.00879	14.4
90.65675	0.7
93.03470	1.6
95.01384	3.4
96.04594	1.5
96.96014	35.6
97.02930	1.3
97.95938	1.3
98.02483	6.0
98.95648	1.7
99.00880	13.5
101.02455	17.0
106.60622	0.8
111.00888	37.1
111.01670	1.8
113.02454	7.2
115.07623	1.6
115.09837	0.8
123.00851	1.2
127.00379	100.0
128.00734	1.2
128.03485	0.9
129.01089	1.3
129.01952	16.2
131.03488	1.4
136.38193	0.9
137.02483	0.7
141.01952	19.6
155.10811	1.3
157.01405	7.5
158.01683	0.9
159.02995	42.3
164.07166	1.4
165.07449	1.2
173.04588	5.7
178.78073	0.9
191.05667	4.0
192.05905	1.2
206.08160	2.3
207.08585	1.5
221.11890	1.1
231.24763	0.8
253.18176	1.5
276.19806	1.4
292.19119	7.3
294.20749	2.0
310.09714	1.1
310.20282	2.6
342.22836	42.3
343.23227	2.2
344.24484	4.8
360.23874	8.8
368.24231	1.1
412.23679	1.3
430.24802	1.0
478.65173	1.0
502.20987	1.1
502.26569	28.6
503.15302	1.0
503.27371	1.4
517.62286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51192	0.2
59.01379	100.0
60.01716	0.4
61.98833	0.6
62.63633	0.2
71.01374	2.6
71.55802	0.3
73.02956	0.8
83.01404	0.4
83.05033	0.5
85.02959	1.3
87.00874	0.8
89.02452	1.3
93.03464	0.4
96.96053	0.4
98.07505	0.2
101.02439	1.6
110.89151	0.2
113.02460	1.3
115.00387	0.7
119.03506	0.5
137.02466	0.3
161.04613	0.5
173.04546	1.1
175.02470	1.2
179.05673	0.3
191.05612	0.4
196.11577	0.3
271.01416	0.2
316.18488	0.4
327.21820	0.3
373.09103	0.3
434.41498	0.2
441.25128	0.5
501.20401	0.4
501.27841	0.8
502.26654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93871	1.0
62.80508	0.9
70.28033	3.5
106.34025	0.9
136.82153	0.9
138.51033	1.1
139.25896	0.9
149.09724	24.7
160.68448	1.0
163.11292	100.0
164.11641	2.0
181.18219	1.0
181.29727	0.9
184.30754	1.0
237.89714	1.0
277.73203	1.0
288.98294	0.9
325.21762	30.6
326.22314	1.3
337.21741	14.5
379.45911	1.1
396.44312	1.1
463.13788	0.9
501.33774	92.5
502.34061	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	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98817	3.4
62.13628	0.8
69.76444	5.0
71.01386	18.7
72.99299	1.3
73.02943	17.4
82.95388	1.2
83.01382	3.2
85.02959	5.0
89.02445	14.3
89.79018	0.8
93.03434	1.3
95.01385	1.3
98.74341	0.8
101.02444	15.3
113.02451	12.0
113.03166	1.6
119.03484	5.6
131.03497	1.0
143.03476	1.6
149.04617	1.2
161.04544	2.9
173.04559	4.4
179.05655	2.4
191.05608	2.0
294.48657	0.9
327.21695	1.5
429.39536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24274	0.2
55.01881	0.2
59.01381	100.0
60.01702	0.4
60.60683	0.2
61.98835	0.5
68.55219	0.2
69.67413	0.2
69.97017	0.6
69.97439	0.6
71.01385	3.1
73.02949	1.1
73.76492	0.2
76.82030	0.2
83.01423	0.5
85.02935	1.5
89.02454	0.9
94.54390	0.2
95.01448	0.3
96.96036	0.3
99.00861	0.4
101.02438	2.9
111.00912	0.3
113.02468	1.3
143.03477	0.2
159.03079	0.4
161.04604	1.5
173.04538	0.3
191.05537	0.3
237.18683	0.3
288.32568	0.2
334.51846	0.3
381.22867	2.2
382.23462	0.3
383.11475	0.2
395.00998	0.2
399.23898	6.6
400.24490	0.4
441.24850	3.2
501.32407	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36538	0.4
59.01377	100.0
61.98819	1.1
65.84554	0.4
69.19991	1.3
69.20409	2.7
71.01381	7.2
72.99294	0.4
73.02943	3.1
83.01403	1.7
85.02946	3.0
89.02445	5.1
95.01366	0.5
96.96017	0.8
99.00890	0.7
99.06024	0.4
101.02440	8.2
112.98631	0.4
113.02438	3.9
119.03503	2.1
125.02400	0.4
131.03523	0.7
143.03491	0.8
149.04575	0.9
161.04520	2.5
179.05659	2.2
182.58449	0.5
265.18112	0.7
315.30673	0.4
379.40933	0.4
381.22720	2.0
399.23883	6.2
399.28723	0.5
399.74445	0.4
400.24448	0.5
441.24673	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	501.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05705	0.3
59.01371	2.7
61.98820	0.8
71.01366	0.9
71.55437	0.3
73.02966	0.3
75.00879	0.3
78.95901	1.3
79.95733	3.0
85.02930	0.8
87.00886	0.5
93.02897	0.5
93.03442	2.8
96.05456	0.3
96.96008	100.0
97.95937	0.4
98.02454	0.4
98.95589	3.5
98.96406	0.6
101.02426	0.4
111.04507	0.7
113.02444	0.4
116.04484	0.3
119.05034	5.0
127.04016	0.4
127.05135	0.4
128.03543	0.5
135.04559	0.6
137.02396	0.4
143.05035	0.4
145.02950	0.6
145.06549	0.4
147.04538	0.4
153.01924	0.3
155.03523	0.8
161.04591	0.3
163.03993	3.7
173.04564	6.2
191.05568	2.8
192.01221	0.4
206.08182	0.4
213.45586	0.3
219.03076	0.4
237.09216	4.4
239.10826	1.1
248.03821	1.5
253.08640	0.4
279.08731	1.0
283.09744	3.7
292.02737	0.6
309.15704	0.9
321.21899	0.5
327.08667	13.4
328.09201	0.7
351.60245	0.3
360.24622	0.3
387.58163	0.4
441.20114	0.8
501.13678	1.6
501.26599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01379	100.0
60.01705	1.1
61.01823	1.0
61.98837	2.8
67.01920	1.0
69.03451	0.8
71.01383	14.6
71.05019	2.0
71.56399	0.7
72.99321	0.9
73.02949	12.3
75.00900	0.7
83.01385	3.7
85.02965	5.5
87.00905	1.1
89.02451	5.5
93.03466	2.2
95.01366	1.0
97.02984	0.9
99.00887	2.3
99.04544	0.7
101.02439	13.7
113.02453	9.1
115.00375	1.4
119.03527	1.3
121.03023	1.7
124.00114	0.7
143.03465	1.5
149.04539	1.3
161.02345	0.8
161.04581	3.2
167.00090	0.6
173.04564	6.6
175.02525	1.4
179.03409	0.6
179.05650	0.8
183.13928	5.6
183.15331	0.8
184.14262	1.0
185.11905	1.8
191.05656	3.4
199.34395	0.7
217.01216	0.7
227.13045	0.8
245.13969	1.3
246.14326	0.9
327.21970	1.8
350.16339	1.0
373.09415	1.4
397.22583	1.3
413.26126	1.1
415.23816	1.1
457.20575	1.5
463.21780	4.6
465.28403	0.8
501.16611	1.7
501.30774	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	501.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15355	3.7
59.01376	100.0
70.36350	4.8
70.36684	11.3
71.01374	38.7
73.02940	27.7
83.01382	5.3
85.02948	14.0
87.00895	5.6
89.02424	38.2
91.19917	4.0
93.03458	4.6
93.76572	3.8
96.95998	17.7
99.00873	65.7
100.03979	4.9
101.02428	23.5
102.05605	11.4
113.02441	16.5
119.03492	11.8
128.03520	21.7
131.03482	8.9
134.03769	38.9
135.04523	10.8
146.04591	15.4
149.04613	25.6
149.06000	28.2
156.99432	4.2
160.03328	3.8
161.04482	8.3
173.04515	17.4
175.03891	7.8
191.05589	43.0
195.32413	4.0
203.05620	15.3
210.08469	4.4
233.06543	5.6
236.09207	8.4
267.06674	6.2
268.06992	12.4
280.06821	4.0
282.08774	5.2
283.09143	9.8
298.11734	4.6
306.97607	3.8
324.09586	10.3
353.10474	4.7
354.10608	10.7
363.22592	4.3
415.16098	8.5
457.17157	32.6
471.14758	26.6
501.15524	28.8
501.22690	5.0
501.29739	65.7
502.29785	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	501.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94726	0.6
57.03437	1.0
59.01380	6.5
61.98811	1.0
67.01879	0.6
69.03432	0.8
69.60674	4.3
71.01381	11.3
73.02944	3.7
75.00823	0.7
80.02669	0.9
81.03485	0.9
83.05022	1.4
84.94946	0.8
85.02947	6.4
87.00860	1.0
89.02435	1.7
93.03455	11.3
95.01383	0.9
96.96006	5.2
97.02910	1.0
98.19958	1.3
98.95582	0.8
99.00885	1.4
101.02424	8.0
102.64925	0.7
109.02945	0.8
111.00864	0.8
111.04511	4.7
113.02427	3.5
117.03492	0.9
119.05019	33.6
120.05353	0.9
121.02945	1.0
125.02441	0.8
127.03973	1.0
128.03539	0.8
129.01907	0.7
134.85605	0.7
135.04449	0.8
137.02429	1.2
143.05048	3.8
145.06544	2.8
147.04489	1.1
155.03490	6.4
159.03023	1.1
161.04529	3.9
163.03999	27.4
164.04347	0.9
173.04532	22.6
191.05595	10.4
195.04489	3.1
197.06094	1.0
209.06094	2.0
211.07466	1.0
221.09711	0.8
222.06978	0.9
223.07588	2.5
224.08411	2.1
235.07625	1.1
237.09177	33.8
238.09724	2.9
239.10794	7.3
253.08780	4.1
279.14481	5.2
283.09723	27.5
284.09921	2.1
327.08701	100.0
328.09021	5.0
337.09338	3.4
338.69070	0.8
441.19699	22.6
442.19727	0.8
457.14465	0.9
467.49066	0.8
501.13928	10.9
501.25842	1.4
502.14511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1247
Annotation	Daphneside
Peak:m/z	Relative Intensity
50.36884	0.3
52.41361	0.3
53.66178	0.3
56.81321	0.3
59.01146	0.3
59.01369	1.6
61.13324	0.3
64.10775	0.3
69.03430	0.7
69.78545	1.5
71.01382	0.5
83.01384	1.2
88.23417	0.3
89.02421	0.6
93.03452	0.9
96.96024	1.7
99.00886	1.4
101.02448	0.3
104.92668	0.4
109.02943	7.9
111.00880	0.8
111.04485	0.3
119.05044	2.8
122.03709	0.4
123.04506	0.9
125.02440	3.6
131.05037	0.7
133.02972	2.2
135.04515	6.0
137.02429	1.5
143.05092	0.6
145.02934	1.0
146.03723	1.3
147.04512	9.4
148.05321	5.3
149.02382	0.5
149.06075	20.1
150.03209	0.6
153.02155	0.4
155.03508	0.4
159.04497	2.3
160.05286	1.0
161.02451	4.1
161.04800	0.6
161.06075	8.9
162.03220	1.0
163.04015	4.4
163.07623	1.0
165.05518	1.1
171.04431	0.6
172.05254	0.9
173.02376	0.5
173.04544	2.7
173.06059	4.0
174.03188	2.1
175.00223	0.3
175.03984	11.3
175.07533	0.4
176.04773	3.5
177.01906	2.2
177.05608	2.2
179.03491	0.7
185.04514	2.4
185.06079	0.7
187.03990	1.0
187.07472	0.4
188.04790	1.2
189.05562	23.6
190.05988	0.5
191.03539	2.3
191.05605	0.7
191.07124	8.9
193.05049	2.2
203.03502	1.0
203.07132	3.6
205.05061	3.9
207.06609	1.1
215.07114	0.7
217.05034	21.3
219.02953	7.9
221.04535	5.7
235.06084	10.9
237.04025	8.5
237.09204	1.8
247.00760	0.3
247.06119	0.8
249.04037	0.4
251.09210	1.5
259.06024	0.5
277.07193	3.0
279.05087	7.4
283.09778	1.4
295.08218	8.2
295.11447	0.5
296.08536	0.4
327.08707	4.7
339.07178	100.0
340.07465	4.7
361.77029	0.4
394.97552	0.4
399.09317	0.7
399.43585	0.4
441.10501	0.6
501.12570	9.4
502.12860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93042	0.4
51.42281	0.4
54.05876	0.4
57.47546	0.5
57.73251	0.4
59.01377	79.2
60.01719	0.6
66.91039	0.4
69.20310	4.3
88.34512	0.4
90.97122	1.1
109.61941	0.4
112.94199	0.4
118.96503	0.6
132.98206	1.1
134.97101	1.5
157.03528	3.8
159.01530	0.7
174.99242	23.0
198.10782	0.5
201.02542	35.4
202.02747	1.8
217.00279	100.0
218.00677	1.4
238.78998	0.5
250.95296	0.4
276.98184	0.7
292.96222	0.9
324.49191	0.4
343.03665	3.5
359.01450	71.4
360.01746	4.3
500.13931	0.6
500.99121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01376	1.1
61.98824	0.6
66.03484	0.5
66.23164	0.2
67.01880	0.2
68.01431	0.3
68.99817	0.9
69.03442	0.6
70.02963	0.3
71.01383	1.6
71.55946	0.2
72.99322	1.1
73.02940	0.4
75.00873	0.8
80.53622	0.2
81.02206	0.2
82.02991	0.9
83.01385	0.5
83.05040	0.3
85.01692	0.2
85.02953	0.8
86.00086	0.4
87.00874	0.5
92.05064	0.2
93.03463	0.8
94.02981	0.6
94.03720	0.2
95.01390	0.6
96.00906	0.5
96.04552	0.7
96.45504	0.2
96.96015	0.4
96.99310	0.5
97.02957	0.3
97.06606	0.2
98.02462	0.6
99.00898	0.4
99.04564	0.2
100.04044	0.2
101.02448	0.4
102.05597	0.5
104.05053	0.3
104.99328	0.2
108.00896	0.2
108.04557	0.8
109.01686	0.3
109.02939	0.3
110.00117	0.3
110.02488	0.5
111.00876	2.1
112.04043	0.3
113.02452	1.9
118.48422	0.2
120.04527	0.2
121.02901	0.2
122.02489	0.8
124.00404	2.2
124.04018	0.7
125.01197	0.6
125.02440	0.3
125.99592	0.5
126.01985	2.0
126.99487	0.3
127.00379	4.6
128.03549	2.3
132.04539	0.7
134.03763	0.3
134.06087	0.2
136.00357	0.2
136.04068	1.1
137.02444	0.3
138.01933	0.8
138.05620	0.3
139.03979	0.2
140.03543	1.9
141.00694	0.4
146.04570	1.4
147.03346	0.2
147.04489	0.3
147.88733	0.2
148.04066	0.2
148.05269	0.3
150.01927	0.4
150.05592	0.5
151.03860	0.2
152.03539	2.9
154.05083	0.4
160.03996	0.3
164.03481	0.5
166.01411	0.3
166.05086	0.3
168.03101	0.3
170.04555	0.6
172.02483	0.5
173.04550	2.0
174.03467	0.2
174.04874	0.8
175.02780	0.3
176.03513	1.2
176.04848	0.3
178.05208	0.2
186.57658	0.2
191.02263	0.3
191.05678	0.4
191.07159	0.5
192.03079	0.5
194.04547	0.3
206.04599	1.1
212.05611	0.3
224.05646	1.1
239.07162	0.3
242.06668	1.8
251.07150	0.5
263.07224	0.2
267.06516	1.4
279.06760	0.9
280.07190	0.2
282.08978	1.0
294.09033	0.6
297.11438	1.0
321.07846	0.2
323.09180	0.7
327.12576	0.3
341.10275	0.4
350.19824	0.6
353.10294	1.7
366.19302	0.3
371.10696	0.2
386.19608	0.3
404.20654	0.8
416.20728	0.3
422.21793	0.4
434.21811	1.2
435.23544	0.2
438.15323	0.3
452.22952	1.9
470.14752	0.9
470.23941	23.1
471.24451	1.5
482.14441	0.9
500.25031	100.0
501.25336	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	500.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99149	0.2
53.27587	0.2
59.01387	1.3
61.94355	0.2
61.98836	0.5
66.03493	0.4
67.01885	0.5
68.01434	0.3
68.99808	0.8
69.03448	0.4
69.19328	2.2
71.01385	1.4
71.12701	0.2
72.99298	0.6
73.02940	0.4
75.00857	0.4
81.02198	0.4
81.03494	0.5
82.02970	0.8
83.01396	0.6
85.02952	0.7
87.00873	0.7
89.02456	0.2
89.31324	0.3
92.05071	0.3
93.03434	0.4
94.02975	0.6
95.01385	0.7
95.05039	0.4
96.00915	0.5
96.04551	0.4
96.99307	0.6
98.02488	0.4
101.02457	0.3
101.06063	0.3
108.04521	0.8
109.01644	0.3
109.02904	0.4
110.02485	0.6
111.00864	2.0
113.02466	1.9
115.00340	0.3
120.04510	0.5
121.06555	0.3
122.02476	0.6
123.00800	0.3
124.00385	2.0
124.04027	0.5
125.01192	0.8
125.02464	0.4
125.99604	0.5
126.01989	1.9
127.00364	5.1
132.04546	0.7
135.04532	0.3
136.04025	0.9
138.01950	0.7
140.03511	1.8
148.04001	0.3
150.01941	0.5
150.05516	0.3
152.03535	2.5
154.04971	0.3
163.03860	0.2
164.03473	0.4
166.05074	0.4
168.03128	0.3
170.04668	0.3
173.04587	0.7
176.03503	1.2
178.04967	0.3
182.04591	0.3
191.05669	0.6
192.03026	0.4
194.04474	0.5
206.04541	1.5
224.05673	1.6
229.58092	0.2
242.06697	1.7
350.19821	0.5
386.19516	0.4
391.08926	0.5
391.59131	0.3
404.20761	1.0
422.21478	0.4
434.21780	0.8
452.22836	1.5
470.23889	19.5
471.24426	1.3
500.24994	100.0
501.25375	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	500.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.2
61.98822	2.1
64.34629	1.7
70.36395	3.7
70.36767	3.8
71.01366	2.0
82.02992	2.8
85.02953	3.8
93.03445	2.1
96.95983	6.3
100.04033	2.9
100.70567	1.6
101.02429	4.0
102.05600	30.8
121.02953	2.9
123.04519	2.5
128.03535	100.0
129.01941	4.4
133.46924	2.2
134.03703	5.1
135.04095	2.7
146.04590	66.9
147.04512	10.0
148.05310	12.8
150.03238	1.8
152.17331	1.7
153.74438	1.7
162.03131	2.6
172.02501	24.1
173.02487	1.9
173.04512	7.7
174.03145	6.4
174.04782	2.7
176.04745	7.9
180.04228	4.1
191.05571	3.4
191.07111	18.0
194.05803	2.2
202.02510	2.6
215.03416	2.5
223.07646	4.1
237.05556	5.0
239.07144	8.9
249.05522	3.3
251.07100	8.3
263.07065	2.2
265.04987	5.1
267.06607	51.8
268.07159	6.4
277.04962	3.3
277.08405	1.8
279.06570	20.1
280.07285	4.7
282.08954	36.1
283.09552	5.8
293.04572	4.4
293.08008	3.3
294.05573	3.5
294.08868	16.9
295.09695	4.0
297.11325	28.7
304.07309	2.0
305.04605	3.3
308.06934	11.8
309.07697	2.1
309.11227	3.3
320.06750	2.4
321.07407	5.2
323.05692	2.2
323.09195	36.0
327.12402	8.2
335.09045	5.9
338.07773	3.5
341.10242	13.7
353.10257	47.0
354.10510	2.0
371.11197	5.3
423.13037	3.6
426.15744	2.2
438.15558	6.3
452.13458	5.5
464.13382	5.0
470.14511	81.9
471.14746	6.6
482.14612	20.1
500.15549	95.2
501.15671	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	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75359	0.7
59.01379	100.0
71.56674	1.5
78.95901	1.1
91.04044	1.0
95.97546	0.7
136.54849	0.7
220.14255	0.9
314.86377	0.8
347.25818	0.9
365.26898	9.5
426.08151	0.7
434.24515	0.8
454.51422	0.9
514.68414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20036	0.9
59.01377	6.3
61.98808	4.2
62.76006	1.0
66.18272	0.9
69.75188	3.4
69.75599	1.4
71.01367	2.1
73.02902	1.3
75.81542	1.0
84.04530	1.1
85.02934	4.4
89.02418	1.1
93.03451	3.1
96.96015	5.0
98.19916	2.1
99.00838	1.3
100.04019	2.4
101.02410	1.6
102.05605	10.9
108.02153	2.0
113.02429	1.2
119.04992	0.9
121.02939	2.4
123.04543	1.6
128.03534	62.4
129.01920	1.5
129.03903	1.2
134.03784	1.3
145.02927	2.4
146.04593	30.8
147.04486	5.4
148.05302	7.4
150.03218	1.6
155.03444	1.6
159.04419	1.5
162.03200	2.4
162.06789	1.2
163.03835	1.0
163.07588	1.3
172.02519	19.5
173.02518	1.6
173.04497	4.6
174.03133	5.0
175.04060	0.9
176.04773	4.5
180.04213	2.1
191.05563	5.0
191.07121	18.7
192.05969	1.7
194.05782	2.5
202.02670	2.6
207.08092	1.4
211.07587	1.9
215.03467	1.5
221.06100	2.2
223.07597	3.4
229.05009	2.8
234.06747	1.3
235.07610	2.4
237.05566	3.5
239.07083	6.7
241.04985	1.1
248.04727	1.4
249.05449	3.1
250.06287	2.2
251.07066	10.9
252.04153	1.0
261.05594	1.2
263.07135	3.6
264.07840	3.3
265.05090	2.9
266.05634	1.1
267.06604	47.6
267.09494	2.3
268.07166	3.5
277.05063	3.2
277.08655	1.6
278.09732	1.6
279.06610	36.3
280.07260	4.2
281.08121	1.5
282.08960	37.2
283.09631	4.3
292.07581	1.0
292.11142	1.2
293.04428	2.6
293.08066	4.7
294.05618	1.7
294.08929	25.9
295.06229	1.4
295.09576	3.2
297.11307	31.1
298.11646	1.1
304.07187	1.9
305.04504	3.0
306.05234	3.8
307.06085	1.6
308.06927	4.5
308.09930	1.4
309.07544	3.5
309.11243	4.9
310.07605	1.4
320.06763	3.9
321.07578	4.0
321.10986	1.3
322.08066	1.7
323.05515	2.3
323.09140	12.8
326.07883	2.1
327.12354	9.2
335.09128	6.4
336.08859	1.4
338.07803	5.4
341.10281	12.6
352.11938	3.1
353.10263	70.3
354.10733	2.8
362.10431	1.5
364.11554	2.1
365.12634	1.3
367.14200	2.4
371.11359	4.1
377.12820	1.2
380.15158	2.3
392.15134	1.3
406.12735	2.4
423.13306	7.2
426.15433	3.0
438.15558	14.2
452.13364	2.7
464.13580	7.9
470.14523	25.7
470.24344	2.4
471.14548	1.8
482.14502	31.8
483.15176	1.6
500.15613	100.0
500.24777	11.6
501.15683	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	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79435	0.3
59.01379	100.0
60.01701	0.6
61.98816	0.3
69.43722	1.0
69.44155	1.1
71.01379	1.4
73.02950	0.3
74.28173	0.3
85.02956	0.6
88.37192	0.3
89.02431	0.8
96.96046	1.4
98.20652	0.4
101.02459	1.2
113.02470	0.7
118.31801	0.3
119.03528	0.3
161.04565	0.6
172.38692	0.3
225.11293	0.6
236.07942	0.3
242.21489	0.3
243.65109	0.3
397.22348	1.4
439.23486	1.3
499.25858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98830	1.8
71.01381	6.8
71.22155	1.5
71.56091	1.9
73.02938	3.0
79.02467	1.4
80.91664	1.7
80.92737	1.7
85.02946	4.7
87.04518	73.9
93.03448	4.1
96.96025	7.6
101.02446	2.1
111.00903	1.8
113.02393	3.9
119.05048	2.1
120.79232	1.5
135.04521	2.2
171.10278	2.0
173.00899	3.1
173.04555	6.9
191.05595	6.2
223.32138	1.5
325.20068	2.1
346.54202	1.6
377.21674	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	499.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.3
61.54347	0.8
61.98825	2.3
67.01907	4.0
69.03457	1.2
69.26086	7.6
71.01389	6.5
72.99314	1.4
73.02944	1.5
81.03456	1.1
83.01376	1.0
83.05032	2.0
85.02949	2.6
87.00876	1.6
89.02444	1.8
93.03458	23.8
96.96026	3.0
101.02435	3.2
109.02911	1.2
111.04506	4.7
113.02443	2.4
116.92822	1.4
121.02967	2.5
123.04491	1.2
123.52525	0.9
127.04042	1.1
129.01999	0.9
134.03737	11.1
135.04524	1.7
136.01645	3.1
137.02443	4.4
147.04497	1.0
149.02419	0.9
151.00273	0.8
151.04005	1.7
155.03520	4.2
173.04546	100.0
174.04962	2.0
176.03256	1.0
178.02716	1.2
187.07652	3.9
191.03961	1.4
191.05600	15.0
192.05823	1.1
202.06421	1.4
209.11835	19.5
213.09389	1.0
227.12872	5.1
231.10298	3.0
239.07072	5.5
253.09308	4.0
263.09323	1.0
263.12881	1.9
275.09250	2.2
281.08157	6.6
291.13760	0.8
293.10254	2.0
293.15970	1.2
298.04828	1.9
307.11932	2.4
307.17520	2.2
325.12878	7.0
341.06613	2.9
437.14566	1.7
439.21896	4.8
461.10944	3.4
463.21625	2.5
467.15576	3.1
469.17505	2.4
481.16986	3.1
499.19263	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	499.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98813	2.3
71.01375	5.6
71.56376	1.9
73.02959	1.6
85.02932	2.3
87.04508	75.4
89.02424	1.5
93.03432	2.1
96.95997	4.7
101.02440	2.1
113.02442	2.8
119.05029	2.3
142.99854	1.6
161.04547	2.0
173.04539	3.8
191.05591	4.8
213.25348	1.2
224.09846	1.3
306.66443	1.4
307.19000	1.4
377.21677	3.7
419.22812	2.9
422.27634	1.3
466.29352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
59.44011	0.3
69.43216	1.0
69.43629	1.5
71.01387	1.0
75.01733	0.4
78.95908	1.2
83.05038	0.8
85.02950	0.6
87.00865	0.6
89.02418	0.5
89.93569	0.3
93.03459	2.9
96.96005	2.5
98.20690	0.8
104.54059	0.4
109.02956	0.3
111.04534	2.5
119.05019	94.6
120.05360	1.8
121.10490	0.3
133.06540	0.3
135.04585	0.6
137.02383	0.6
150.24800	0.4
151.45175	0.3
155.03487	3.1
160.03960	1.1
161.04378	0.7
163.03995	100.0
164.04353	2.5
167.03511	1.2
168.82069	0.4
171.00632	0.6
173.04517	6.3
191.05621	1.4
262.73038	0.5
325.09256	14.1
326.09628	0.7
337.09204	0.7
385.24915	0.4
461.12805	0.6
499.14545	26.8
500.14764	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1453
Annotation	kn-93
Peak:m/z	Relative Intensity
55.29889	0.8
57.03426	1.2
58.08876	0.8
59.01382	7.0
60.99288	2.6
61.98826	19.7
67.01885	9.0
69.03445	2.4
71.01386	6.9
71.55516	1.4
80.19596	0.7
81.03452	2.1
83.01341	0.7
83.05000	1.3
85.02950	5.4
87.00879	11.9
88.98843	1.1
89.02417	3.9
93.03452	62.3
93.35440	0.9
96.96008	15.2
99.00896	1.7
99.04474	1.2
101.02415	2.4
109.02959	1.9
109.23105	0.8
111.04517	9.7
113.02447	2.9
114.11880	0.9
119.05017	29.8
121.02892	0.8
125.02367	0.9
126.01126	0.7
127.04028	1.2
129.01907	2.1
133.02937	2.2
133.64850	0.8
135.04520	5.3
137.02400	1.8
139.88222	0.8
143.03534	0.8
145.02942	2.3
145.93178	0.7
149.06035	1.0
155.03491	3.8
156.91557	1.3
161.02388	1.2
162.03011	0.9
163.04004	21.6
163.05403	1.0
173.04526	24.4
175.39015	0.7
177.01952	1.8
179.03476	4.7
179.05676	0.9
187.07666	1.1
191.05594	72.4
192.05896	1.6
203.07312	0.8
205.08655	2.2
217.08643	1.7
231.10211	0.9
233.15613	1.0
235.11842	0.8
238.94652	0.8
293.10373	1.5
307.08252	1.7
325.09171	2.3
337.09189	8.8
338.09354	1.1
341.10837	6.2
379.10141	1.0
481.13019	1.3
499.14532	100.0
500.14813	7.0
500.54822	0.9
514.24078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98815	0.4
69.17919	2.2
69.18324	0.5
71.01392	0.4
73.04794	0.3
75.87902	0.3
78.95890	1.8
79.95747	3.3
83.75903	0.3
90.66582	0.3
93.03445	0.5
96.96007	100.0
96.96889	3.6
98.02485	0.3
98.20616	0.6
100.75466	0.3
127.00370	0.9
149.99071	0.3
173.04552	1.3
188.76346	0.3
191.05624	1.1
250.05382	0.3
250.08127	0.3
253.08775	0.3
254.31310	0.3
323.16129	0.3
437.81836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52358	0.4
57.03431	0.6
59.01371	1.7
59.08783	0.4
61.98824	0.5
67.01897	4.0
69.03458	0.9
69.41486	3.0
71.01382	2.8
75.97115	0.4
81.03440	0.5
83.05025	0.7
85.02966	0.9
85.19555	0.4
88.98824	0.9
89.02441	1.0
93.03459	24.2
96.96007	1.9
98.19924	0.9
101.02418	0.5
108.50894	0.4
109.02991	0.8
111.00899	0.8
111.04527	3.9
112.88018	0.5
119.05035	26.6
120.05340	0.6
127.04034	0.4
130.91545	0.5
133.02957	1.3
135.04533	1.4
137.02440	3.9
147.04608	0.5
149.06084	4.9
155.03500	4.4
160.03273	0.4
161.02383	0.5
163.04018	26.0
164.04352	0.7
173.04547	100.0
174.04858	2.2
177.01965	1.1
179.03485	0.7
190.86145	0.4
191.05655	2.3
193.05038	0.6
205.08681	0.7
208.21262	0.4
219.02975	1.8
233.04539	0.5
237.04085	1.8
307.08310	0.5
319.04645	0.7
325.09390	3.9
335.09970	0.4
337.05664	2.4
337.09198	0.9
341.10803	0.9
451.09286	0.4
481.09451	0.9
499.14667	9.3
500.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63166	0.5
59.01368	2.1
60.54067	0.4
61.98828	100.0
69.98427	1.7
74.14757	0.5
78.95886	2.1
88.88148	0.4
89.02449	0.7
100.68080	0.4
102.11634	0.4
117.01904	0.8
152.99559	2.5
226.22554	1.4
245.04390	1.4
246.04607	0.8
269.21115	2.6
270.21518	6.1
498.25433	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26632	1.0
57.03439	3.2
58.00586	1.5
59.01381	35.1
60.01709	0.7
60.83172	0.7
61.98831	13.5
69.03452	9.3
69.22593	7.9
71.01381	21.6
71.05027	7.9
73.02962	1.7
74.02477	1.1
81.03458	8.3
83.01424	0.9
83.05016	3.5
85.02936	2.4
87.04517	3.4
93.03444	2.7
95.05028	5.1
96.08180	2.3
97.02962	4.4
97.06590	36.3
98.06916	1.1
99.04520	26.4
110.06115	4.6
111.04499	1.6
113.02454	12.0
113.09738	5.4
114.09229	3.3
115.03994	1.6
115.07654	20.2
119.05063	1.0
122.06128	3.7
123.08154	2.0
125.06084	3.4
125.09774	1.2
127.07693	1.5
127.11288	2.6
128.03511	1.5
129.05611	2.6
133.06580	1.9
135.04533	1.1
136.07706	1.3
137.09692	3.6
138.09258	1.5
140.09822	1.5
140.10814	15.9
141.05580	0.8
141.09151	1.1
143.03506	5.3
151.07645	2.9
151.08824	0.8
153.09232	2.1
153.12830	1.7
155.10732	4.4
159.06630	14.9
161.02515	1.3
161.09727	10.7
163.03941	1.1
163.11304	1.5
171.10309	4.3
171.14317	0.8
173.04538	6.4
179.10774	16.1
181.08730	1.1
181.12302	4.4
184.09813	3.8
191.05627	5.8
194.15361	1.2
197.11789	7.5
199.13393	3.9
205.08656	1.8
207.13954	1.1
208.13454	1.5
209.15462	3.4
213.11324	1.2
220.13406	1.3
223.09773	13.0
238.14496	2.5
241.10791	18.8
248.79581	0.9
253.14368	1.7
259.11829	1.3
266.17654	1.3
271.15485	13.8
275.09390	1.2
299.85178	1.0
308.18668	1.6
313.16559	100.0
314.16718	4.6
320.18774	3.1
338.19687	24.7
352.17606	2.8
356.20920	3.3
364.17618	2.4
382.18707	2.4
395.24332	1.6
400.19754	1.3
424.27179	1.5
436.27121	1.4
454.27936	2.1
468.26166	2.8
480.26422	1.6
498.27094	37.8
499.27206	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	498.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
59.01381	39.5
60.92596	0.7
61.98832	100.0
68.80981	0.8
69.14284	0.7
71.01387	16.9
71.26556	1.6
72.62753	0.6
73.02950	26.3
77.02354	0.7
83.01393	7.6
85.02975	2.4
87.00888	0.8
89.02441	4.0
93.03420	1.1
101.02448	24.2
101.03108	1.5
104.36650	0.8
113.02460	7.2
119.03514	2.7
124.50323	0.8
131.03525	2.4
134.03691	1.0
143.03516	3.3
149.04568	6.1
155.03484	1.5
161.04555	9.8
171.10283	1.4
173.04533	2.1
183.94240	0.8
187.07706	2.9
191.05608	5.5
201.11467	0.8
202.06415	1.7
203.05630	1.4
221.06705	3.3
231.10342	1.2
233.69246	0.8
275.09393	0.9
297.23703	0.8
307.11884	1.5
438.21054	0.8
439.21881	1.1
462.19528	0.7
481.17517	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	498.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
69.63864	2.0
71.01379	0.9
89.02460	0.7
96.96001	1.5
101.02473	0.4
116.05054	2.1
119.05034	0.6
135.91855	0.4
152.01187	0.6
159.03238	1.4
160.04030	100.0
161.04404	1.5
163.04015	0.6
167.03581	0.8
173.04550	0.5
184.98218	0.4
191.05534	0.6
216.94247	0.4
280.86359	0.4
302.97137	0.4
322.09317	2.6
454.13474	4.8
462.13205	0.6
498.12518	32.4
499.13098	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	497.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.51871	1.4
57.03448	3.7
59.01379	82.1
60.01681	1.6
61.98820	2.5
62.01305	1.3
66.07660	1.5
67.02699	1.4
70.67913	1.4
71.01379	30.0
72.99306	6.3
73.02937	17.6
75.00807	1.7
80.06474	1.5
83.01385	6.5
85.02955	16.9
87.00871	4.1
89.02430	8.5
89.58498	1.6
93.03460	2.6
94.98057	1.9
95.01379	2.9
96.96009	4.5
99.00880	11.1
101.02432	26.0
111.00890	4.1
113.02454	13.9
117.09191	2.5
125.02428	1.7
131.03563	1.6
135.04532	2.3
137.02455	1.9
143.03496	3.8
146.03783	2.8
159.03050	3.3
161.02417	1.9
161.04567	13.7
173.04552	9.4
173.08130	1.8
174.03262	1.6
176.97070	1.6
177.02008	2.4
179.03362	1.6
187.07678	1.8
191.05620	10.0
193.07080	1.7
203.07138	3.4
249.07700	5.2
261.13315	2.9
279.14462	21.9
321.15518	10.9
393.17667	2.2
411.18710	29.8
453.19751	100.0
454.20050	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	497.1796
Annotation	Sphenalactone C
Peak:m/z	Relative Intensity
59.01382	62.7
61.98835	56.6
70.93336	21.4
71.01376	21.1
82.95408	7.2
84.60668	6.1
85.02938	15.8
93.03453	18.6
96.96018	37.3
98.95547	9.0
99.00916	10.4
101.02471	10.2
113.02418	7.8
113.57406	6.6
119.04987	8.6
134.03746	7.5
135.04471	7.0
155.03557	10.6
173.04575	38.7
177.05540	7.4
178.02588	7.3
191.05626	38.4
193.04774	8.1
225.11310	36.7
253.09608	6.8
323.11130	9.8
449.90601	9.6
461.20071	54.3
497.17752	100.0
497.24609	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	497.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
57.33416	2.3
59.01380	100.0
61.98816	6.3
63.01463	2.3
65.65907	2.9
66.49825	2.5
69.03433	2.4
69.67524	2.6
71.01383	88.5
72.99334	2.6
73.02944	23.9
75.00876	4.8
83.01390	9.0
85.02961	24.9
87.00873	5.7
89.02447	12.7
90.05560	2.4
93.03467	7.3
93.70174	2.5
95.01444	2.9
96.95994	4.7
97.03008	3.3
99.00874	13.5
101.02442	39.2
103.54512	2.5
109.06600	9.5
109.90806	2.9
111.00917	2.3
113.02453	17.0
117.94395	2.3
119.03516	2.6
119.05017	3.5
125.02447	3.9
125.09706	2.8
133.02988	3.3
135.04527	3.1
143.03479	3.3
151.11511	2.5
155.10828	3.1
161.04562	11.2
163.11307	4.3
171.10265	76.9
173.04550	11.0
175.07571	5.1
177.09250	3.9
179.03485	3.2
191.05605	84.9
191.93164	2.6
199.09747	22.1
201.11295	16.7
203.10753	4.1
207.10251	22.3
222.65881	2.6
225.11397	18.3
229.08739	5.0
253.09302	18.6
279.14590	21.9
285.04059	4.7
323.11511	6.3
369.23947	9.4
411.18707	45.3
451.32907	41.8
453.19775	96.9
454.20184	7.7
461.20355	4.8
497.22571	15.1
498.23370	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	497.1667
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
57.03449	0.8
59.01381	24.2
61.98833	4.5
69.03461	0.6
71.01381	3.0
73.02948	1.6
75.00845	0.4
79.95731	0.4
81.03445	0.9
82.73562	0.4
82.95415	0.6
83.01391	0.6
85.02956	3.1
87.00915	0.5
87.04517	2.4
88.98837	0.5
89.02444	0.8
93.03476	2.2
95.01377	1.8
96.96027	2.9
97.02951	0.9
97.06571	0.6
98.19895	1.3
101.02456	1.3
108.02177	39.4
109.02964	23.6
109.06617	0.4
111.04507	0.7
113.02455	1.0
117.03378	0.4
121.02947	0.5
123.00854	1.3
123.04496	0.7
125.02466	0.7
125.09697	0.6
135.00914	0.4
135.04527	0.8
135.08159	0.8
137.02373	0.8
137.09740	2.9
151.03975	0.8
152.01158	52.3
153.01947	21.2
155.03477	0.5
155.10794	17.5
155.12076	0.9
156.11055	0.7
159.84668	0.5
161.02396	0.5
161.04532	0.5
163.04022	0.8
167.03421	0.5
169.12347	0.7
173.00795	0.5
173.04556	2.7
179.10735	1.2
181.08752	1.4
191.05614	3.0
191.10739	1.0
195.39853	0.5
199.09778	3.5
201.11192	0.5
204.04137	0.5
213.11307	0.5
241.10904	0.9
269.93317	0.4
283.11942	1.7
285.03931	0.4
453.17569	4.1
479.15414	0.6
497.16647	100.0
498.16995	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	495.2964
Annotation	Lesterone
Peak:m/z	Relative Intensity
55.84550	1.6
57.03433	3.3
59.01386	11.2
59.01635	2.1
61.98536	2.4
61.98832	34.7
62.97049	1.3
65.03980	1.7
69.03445	1.6
70.04678	7.0
71.01379	3.7
78.95885	2.7
79.95726	2.5
82.25092	1.6
83.05019	6.1
85.06618	4.2
87.00900	1.9
93.03490	2.7
95.05051	2.1
96.96002	3.4
97.06580	5.1
98.19905	1.8
106.98065	2.2
107.08692	1.7
109.06592	3.4
111.08163	4.6
123.08231	3.5
125.09752	17.6
137.54669	1.5
151.11188	2.2
153.09308	1.9
171.10274	21.7
173.04541	3.7
185.11798	2.8
187.14914	2.3
189.16508	2.0
191.05627	10.3
197.11806	1.8
201.12943	1.9
205.15996	7.0
207.13911	1.7
209.11798	4.6
211.13411	15.0
215.14417	5.7
221.15482	4.9
231.13919	6.7
233.15466	76.2
234.15881	2.6
249.14963	20.1
251.16563	5.1
257.17795	1.8
327.21783	3.5
331.26404	4.8
334.01099	2.4
339.23129	1.9
341.24823	4.9
349.05841	1.5
359.25952	2.8
367.22714	2.9
375.25385	4.1
377.26871	2.2
385.23880	22.5
393.26422	3.1
403.24893	55.0
404.25034	4.1
421.25940	42.9
422.26517	3.9
477.28586	87.9
478.28922	5.0
495.29657	100.0
496.27271	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85646	0.6
57.03424	0.7
59.01379	15.2
61.98835	5.0
68.98973	0.7
69.03462	0.9
71.01385	7.2
71.55540	1.0
73.02943	2.2
75.00867	4.0
78.95921	0.9
80.02715	0.8
82.32472	0.6
83.01395	1.7
83.05022	5.8
84.02159	1.2
85.02944	2.9
87.00877	1.7
88.98801	1.5
89.02444	4.2
93.03458	1.2
95.01392	0.9
96.96014	7.2
97.02969	0.6
99.00874	1.7
101.02435	6.3
111.00850	0.8
113.02434	3.4
124.84114	0.7
135.08084	0.8
137.02464	0.9
161.04535	2.0
163.11302	4.0
165.12849	1.9
173.04536	2.9
177.01852	0.6
179.05618	0.7
191.05641	2.3
191.10808	1.2
209.11829	100.0
210.12141	3.2
227.12889	19.2
253.09290	16.2
259.15424	3.0
279.05707	0.6
321.18875	1.2
435.21878	1.0
453.23462	3.9
495.24475	4.4
495.31631	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.6
59.01382	100.0
60.01708	0.9
61.98830	3.2
65.58581	0.5
69.03456	1.2
69.33630	5.5
71.01382	2.7
73.02966	1.5
78.95917	5.1
83.01392	0.8
85.02961	8.9
87.00880	0.9
93.03468	1.3
96.96017	1.5
97.02906	0.7
97.06583	1.2
101.02459	2.2
102.39127	0.6
103.04015	84.7
110.98542	2.8
113.02486	0.7
116.25949	0.6
118.60751	0.5
125.09731	1.3
127.11226	1.3
137.09721	1.7
161.04526	1.0
167.01181	1.7
171.10277	25.0
173.04556	1.5
183.13890	1.8
185.02226	4.0
191.05603	1.8
192.40370	0.7
201.11319	0.8
211.13370	5.2
221.11884	0.7
229.14418	3.0
291.19644	1.6
303.18207	2.0
327.21762	33.6
328.22137	2.2
338.32916	0.7
349.18658	1.3
435.22244	2.8
495.23648	37.2
496.24091	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	495.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01379	30.7
61.98832	100.0
69.25989	9.9
69.26266	0.9
71.01380	13.1
73.02940	4.3
75.00868	6.1
78.95895	1.6
81.03431	1.2
83.01380	1.4
83.05029	5.1
83.43725	1.0
85.02949	5.4
87.00884	5.8
89.02457	8.9
93.03452	2.2
95.01394	1.6
96.96014	16.3
97.02943	1.0
98.95580	1.2
99.00868	6.5
101.02444	7.8
111.04527	1.6
113.02454	5.7
119.03486	2.5
135.04471	1.8
143.03442	1.8
149.04660	1.1
151.11241	2.0
155.03535	1.8
161.04533	3.6
163.11261	3.5
169.12340	71.1
170.12566	1.3
171.10266	15.7
173.04581	5.2
179.05576	2.0
183.04483	3.4
191.05598	18.9
204.93790	1.0
209.11821	77.9
210.12189	1.8
213.09230	13.9
227.12886	15.7
235.08260	6.1
245.11659	1.5
253.09282	21.1
269.04498	2.0
289.10809	8.9
321.13403	2.2
405.21274	15.5
407.19229	1.3
431.19101	1.6
435.18558	4.4
435.25284	3.2
449.20395	9.8
451.21597	2.4
453.23105	1.5
463.16180	2.6
467.21405	8.5
495.14359	2.1
495.20444	9.5
495.31335	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	495.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
59.01379	21.8
61.98829	4.1
69.03430	2.9
71.01378	3.2
71.05006	0.8
71.55991	0.7
73.02932	2.2
75.00845	0.6
77.33366	0.5
78.95900	13.1
81.03459	0.7
83.01369	0.8
83.05016	1.6
85.02454	1.0
85.02953	16.2
87.00860	0.6
87.04522	1.2
89.02442	1.0
93.03454	2.1
95.01422	0.5
95.05035	1.0
96.95999	4.0
97.02958	2.8
97.06585	5.7
98.74231	0.5
101.02445	2.2
103.04002	2.2
104.97482	0.6
109.06557	0.9
110.03710	0.6
110.98526	10.4
113.02434	1.7
119.03477	0.5
119.05046	1.3
119.08749	0.6
125.06003	0.6
125.09695	1.9
127.11270	2.7
135.04526	0.6
137.09709	4.3
151.00380	0.5
152.99577	0.9
155.03467	1.0
155.10786	0.8
155.14485	0.7
161.04590	1.2
163.03966	0.9
163.11322	0.7
165.12798	0.9
167.01106	3.7
167.14420	1.1
171.10260	44.5
172.10603	0.9
173.04550	3.9
177.12875	0.8
179.03403	0.7
183.13875	8.1
185.02196	10.4
185.11772	1.2
191.05618	3.1
193.12360	1.2
195.13826	0.5
197.11722	0.8
201.11327	2.0
202.39093	0.6
203.10721	0.8
209.11794	2.3
211.13376	25.0
221.11830	3.5
229.14444	14.4
239.12840	2.7
251.16501	1.2
269.40808	0.5
273.18546	0.7
291.19681	5.2
309.20590	0.9
327.21741	100.0
328.22153	4.7
375.24048	0.9
426.52209	0.7
437.66257	0.6
495.23630	99.5
496.24005	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	495.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94415	13.2
59.01379	46.6
59.32244	12.8
61.98829	100.0
64.10686	11.9
69.27764	20.3
69.28165	97.5
69.31001	13.4
71.01383	13.8
72.67338	14.6
78.95908	23.6
85.02980	14.2
87.00336	13.6
93.03463	20.8
96.96004	39.7
98.98544	13.4
105.20857	13.6
120.43900	13.3
137.02324	14.3
144.25528	13.4
150.68062	13.1
164.35707	13.2
167.02148	41.7
171.10201	20.5
173.04546	42.1
191.05566	29.7
209.11816	23.8
223.13322	38.8
228.00140	14.5
239.03656	12.8
256.46143	14.7
288.81015	14.0
294.71640	12.4
327.21814	42.6
495.16602	17.2
495.23813	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.30733	1.6
57.03445	2.9
58.00602	1.7
59.01379	100.0
61.82647	1.4
61.98838	12.7
71.01383	46.7
71.55629	2.4
72.99297	5.0
73.02953	5.6
75.00871	13.6
78.95875	1.7
79.53610	1.4
83.01398	4.6
85.02946	15.5
87.00874	4.0
89.02446	52.9
93.03427	3.4
95.01414	3.5
96.96008	4.3
99.00885	5.0
101.02440	31.8
113.02436	21.8
119.03481	26.9
125.02430	3.4
131.03491	2.9
134.03741	2.3
135.04520	2.3
143.03499	7.3
149.04503	3.2
161.04553	11.6
166.76974	1.4
173.04500	9.0
174.04776	1.7
179.05614	29.1
179.07153	1.1
191.05571	10.2
199.07712	2.0
257.82443	1.5
285.04150	1.6
287.16534	3.6
293.08722	3.4
306.05396	1.8
313.07095	3.2
317.58313	1.5
319.12070	2.7
331.44644	1.8
383.59879	2.6
431.09991	2.6
433.24338	36.1
434.24814	3.5
493.23633	1.8
493.30698	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	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60162	0.7
59.01385	5.3
61.98832	69.2
69.93849	1.4
69.94259	3.2
71.01380	2.7
75.00880	8.3
77.03982	1.2
85.02936	1.2
89.02480	1.0
93.03445	2.4
101.02433	1.5
113.02451	1.5
117.03461	8.2
119.04978	0.8
121.02997	1.0
121.08445	0.9
135.04503	1.9
137.02550	0.9
149.02480	1.7
154.35670	0.8
159.04518	2.4
161.02473	3.0
161.04570	0.8
163.03992	4.3
165.01912	1.0
173.04498	0.9
191.03482	1.1
191.05606	1.2
203.03500	1.5
211.07582	1.0
239.07188	2.3
268.03644	1.6
269.04562	3.2
281.04529	4.3
282.05341	2.7
283.06110	45.5
284.06549	1.2
293.04486	2.8
295.06119	1.7
309.03781	1.2
311.05597	86.2
312.05853	4.0
323.05466	4.3
341.06677	13.3
342.07095	1.1
431.09827	100.0
432.10095	5.0
493.30081	4.2
494.30539	2.3
518.09357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53713	0.3
57.03458	0.3
59.01107	0.4
59.01382	6.7
61.98827	100.0
62.98531	0.3
65.31924	0.3
69.45192	1.7
71.01379	3.0
72.99303	0.4
73.02943	0.6
75.00889	2.0
78.95880	0.6
80.08966	0.3
83.05020	0.4
85.02961	0.9
87.00893	0.7
89.02438	2.5
93.03470	0.4
96.96009	2.0
99.00918	0.4
101.02460	1.8
107.01399	0.3
113.02433	1.3
119.03502	0.9
119.05000	0.3
135.04584	0.5
143.03549	0.4
145.92427	0.3
151.00392	0.3
152.99591	0.5
157.08772	0.4
158.84784	0.2
159.33246	0.3
161.04601	0.5
169.12372	0.3
173.04605	1.1
179.05684	0.9
191.05629	2.2
207.13899	0.5
209.11824	5.1
209.13782	0.3
213.09265	0.6
225.14888	0.5
227.12927	0.9
240.04291	0.3
245.07983	0.5
253.09387	0.8
268.03760	9.2
268.06650	0.5
269.04468	4.1
283.05978	0.3
289.10968	0.4
327.05023	0.5
431.09805	12.8
432.10257	0.9
433.24240	1.5
434.25067	0.9
453.23706	0.5
493.30511	1.4
494.17899	1.3
494.31314	0.5
495.15152	0.9
495.24481	0.6
513.11401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
60.28999	0.3
61.98827	100.0
68.99584	0.4
69.51772	2.2
70.51556	0.3
71.01378	0.3
72.99308	1.5
73.84570	0.3
82.18745	0.3
89.02446	0.6
99.00879	0.7
99.49833	0.3
112.98782	0.4
117.01952	1.1
142.73300	0.4
142.99878	1.9
173.00917	1.2
174.01707	1.5
215.12825	0.4
225.14801	0.4
281.14081	0.7
295.15628	0.9
327.21863	0.4
339.14603	0.5
353.16168	1.1
495.23575	0.5
501.47321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15089	1.8
59.01376	54.7
61.98819	2.2
63.07476	1.7
69.74002	6.9
69.74410	3.3
71.01375	32.7
73.02943	30.2
75.26550	1.9
83.01375	3.5
85.02965	3.1
89.02440	30.5
95.01318	1.8
98.19913	3.3
99.00877	100.0
101.02442	11.9
109.15269	1.8
113.02461	12.1
117.47461	1.9
119.03460	3.7
125.02431	4.0
131.03490	14.4
143.03494	3.5
149.04541	43.0
161.04538	7.0
173.04604	2.0
191.05608	44.8
191.07347	3.1
203.05542	18.9
233.06570	7.3
335.09491	2.9
409.17245	3.1
451.12122	2.5
451.18094	29.0
495.25388	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	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03446	2.7
57.36128	1.4
58.00594	2.4
59.01377	100.0
61.98830	36.8
66.96044	1.2
69.03471	1.5
70.09778	1.3
71.01379	47.7
72.99303	4.5
73.02942	8.1
75.00851	8.0
78.50104	1.2
78.95876	1.3
83.01388	5.1
85.02942	14.6
85.03410	2.0
87.00898	4.2
89.02440	40.9
93.03466	3.0
95.01385	3.2
96.96001	1.6
98.19841	3.0
99.00874	3.2
101.02438	32.2
113.02446	23.8
119.03500	19.2
131.03516	2.7
135.04558	2.1
143.03484	5.6
149.04570	1.8
152.07129	2.0
159.02940	1.5
161.04561	12.4
163.39459	1.6
164.32805	1.6
173.04565	4.0
179.03412	1.3
179.05611	15.9
183.16844	1.3
191.05577	8.4
203.51167	1.3
209.11497	1.4
271.19159	9.3
331.12946	25.8
332.13382	2.3
358.25336	1.3
383.09070	1.6
415.23218	1.6
431.09988	1.8
433.24380	94.2
434.24622	6.6
493.18719	2.4
493.31000	9.8
501.03455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	0.5
59.01377	100.0
61.98832	2.9
67.98479	0.5
69.03481	0.7
69.22705	5.6
71.01376	7.5
72.99303	0.8
73.02943	3.3
75.00867	3.5
78.95918	0.7
83.01399	2.1
85.02946	4.6
87.00901	1.4
87.04509	63.2
88.04888	0.9
89.02448	1.2
93.03487	1.8
95.01364	0.7
96.96019	1.2
99.00896	2.0
101.02429	5.5
107.88989	0.6
109.06582	0.6
111.04552	0.6
111.08167	0.8
113.02449	5.7
119.03481	0.7
119.05013	1.0
119.31262	0.5
125.02408	0.9
133.02980	0.7
135.04539	0.6
161.04532	1.1
173.04524	3.0
174.29611	0.6
177.01817	0.7
179.03430	0.6
191.05521	3.5
266.53131	0.6
289.23883	1.4
303.14520	4.1
345.15497	3.4
383.59854	1.2
391.19482	0.9
433.20981	1.9
433.28137	14.2
434.28714	0.8
451.29095	4.7
493.22275	1.1
493.33582	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	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89423	0.3
55.01882	1.4
57.03446	1.0
58.00597	1.8
59.01376	100.0
59.87086	0.4
60.01726	0.7
61.29870	0.3
61.98841	2.5
69.03458	1.2
69.54997	2.5
71.01377	45.5
72.99317	2.4
73.02943	37.6
75.00869	13.5
75.55505	0.4
81.03449	1.1
83.01385	6.1
85.02946	10.4
87.00862	2.2
89.02439	43.5
95.01373	3.0
96.96001	4.4
97.02948	1.2
99.00875	93.1
100.01189	1.0
101.02435	22.5
111.00876	0.8
111.04453	0.5
113.02446	23.4
119.03493	6.5
125.02433	5.5
131.03494	11.7
136.07620	0.5
143.03502	4.6
149.04547	33.3
150.04829	0.5
155.03490	3.7
161.02408	0.4
161.04538	10.5
173.04512	1.4
179.05595	2.6
183.10216	0.7
184.37276	0.4
185.04459	0.4
191.05597	39.2
192.05916	0.9
203.03777	0.8
203.05602	13.8
209.11797	0.4
215.63870	0.4
221.06635	0.7
233.06673	6.4
257.13034	0.3
271.19067	0.7
293.08707	1.0
301.16513	0.9
319.17526	1.1
335.09668	0.8
361.18549	3.5
368.07541	0.4
433.19519	4.4
433.24792	2.1
451.21713	23.4
452.21814	1.2
493.22632	43.4
493.30017	14.2
494.23053	2.5
494.29984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
56.99833	0.5
57.03435	1.3
58.00594	1.3
59.01377	100.0
60.01703	0.8
61.98822	2.4
69.03445	1.4
69.39413	3.9
71.01378	41.9
72.99303	2.1
73.02943	35.8
75.00871	9.6
81.03447	1.2
83.01387	5.9
85.02943	9.6
87.00876	2.0
89.02441	45.4
95.01378	3.1
96.96008	4.6
97.02947	1.7
99.00875	97.5
100.01244	1.2
101.02439	24.2
113.02442	25.5
113.93163	0.5
119.03493	6.5
125.02454	4.8
127.03991	0.5
131.03499	11.9
143.03487	4.4
149.04549	35.2
150.04822	0.6
155.03500	3.3
161.04544	11.8
173.04593	0.6
175.80017	0.5
178.95929	0.5
179.05553	2.6
191.05597	44.0
192.05898	0.8
198.55829	0.4
203.05598	15.8
221.06474	0.6
221.37640	0.5
225.11301	1.2
233.06631	6.4
240.76476	0.5
246.14407	0.4
257.12955	1.0
301.16586	1.4
319.17514	1.0
332.85336	0.5
335.09845	1.4
361.18600	3.5
433.19806	4.0
434.20731	0.7
451.21771	25.4
452.22150	1.7
469.86423	0.5
493.23038	47.0
493.30206	7.7
494.23447	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	493.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88207	0.4
55.26827	0.5
59.01379	2.1
61.98809	0.7
67.12675	0.4
68.72431	0.4
76.46645	0.5
78.95892	2.1
90.97125	2.6
93.03460	0.6
96.44599	0.4
96.96002	0.7
98.03616	0.4
98.19869	0.9
107.57377	0.5
108.57543	0.4
118.96634	1.5
124.01519	1.2
132.98190	2.5
133.02965	0.6
160.97711	0.7
165.12854	1.3
167.02130	5.4
171.00658	0.6
171.10306	0.6
173.04535	1.5
174.99252	3.4
181.12360	0.8
183.13887	12.9
186.99171	0.5
191.04066	0.5
191.05603	2.7
215.02359	0.6
227.12843	0.8
233.26614	0.4
235.06909	0.7
237.08144	0.5
239.10510	0.6
241.03951	0.5
243.05557	0.6
253.08397	1.9
255.09180	2.2
257.10715	5.2
265.08478	7.5
266.76205	0.5
277.07553	0.6
279.08881	0.6
283.08591	6.9
297.10141	4.3
299.08337	0.9
299.11707	8.5
301.09756	1.2
308.09595	0.5
315.87573	0.5
325.20276	0.8
327.07553	0.5
341.09058	0.6
343.10532	0.6
351.15085	0.5
353.16464	0.8
365.16599	0.7
367.17999	1.1
401.20068	1.5
403.21619	0.7
407.21219	0.8
413.20148	0.6
419.21002	1.3
421.22620	4.6
422.23163	0.6
423.24271	1.9
431.21167	11.5
449.22260	4.7
465.21677	1.3
475.20099	10.3
476.20325	1.5
493.21185	100.0
494.21423	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	492.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25418	0.3
54.49976	0.3
59.01374	0.3
60.13181	0.3
61.98827	0.5
69.65644	1.7
78.95901	100.0
86.21680	0.3
96.96367	0.6
96.96961	8.0
104.41228	0.3
107.94858	0.3
140.01166	0.5
140.38805	0.3
152.99579	18.8
167.70773	0.3
168.69553	0.3
171.00627	23.3
171.65517	0.3
223.13353	1.2
295.89203	0.3
325.20508	0.4
329.40411	0.3
418.23795	1.8
492.27289	74.6
493.27682	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	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54203	0.4
59.01363	0.7
61.98821	2.3
68.39157	0.4
78.95901	100.0
84.15981	0.4
96.95993	0.5
96.96957	7.4
131.39412	0.4
140.01204	0.7
152.99574	18.2
153.00819	0.9
155.03900	0.4
171.00629	21.0
295.22852	0.6
310.21149	0.7
384.58856	0.6
418.23505	1.6
439.94778	0.5
464.17236	0.4
492.27289	69.6
493.27505	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	493.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
58.00611	0.8
59.01382	100.0
60.01710	1.7
61.01801	1.4
61.98832	5.6
69.62418	4.4
71.01382	13.4
72.99330	0.8
73.02598	0.6
73.02942	4.2
74.66781	0.7
75.00872	3.9
75.21378	0.7
78.95920	1.4
79.19860	0.7
83.01393	2.3
84.95101	0.7
85.02969	7.5
87.00889	2.1
89.02451	1.9
93.03451	1.6
95.01392	1.7
96.96011	1.3
96.96980	0.8
97.02955	0.7
99.00892	2.8
99.68534	0.7
101.02445	8.3
113.02467	7.3
119.03506	0.7
119.05042	1.3
129.01921	0.7
135.04553	1.1
141.17661	0.8
156.86581	0.9
161.04584	3.9
173.04509	3.2
191.05635	5.0
197.11795	7.7
209.15494	1.3
231.81847	0.8
253.09483	1.6
257.11877	1.6
301.16504	4.2
330.93570	0.8
353.19708	3.2
371.20798	9.3
373.22281	2.3
383.59750	2.0
391.23099	1.3
413.21832	12.4
414.22104	0.8
419.63940	0.6
433.20023	4.1
433.28174	2.2
451.29004	0.7
493.30243	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	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91846	0.6
57.03427	2.5
59.01382	58.1
60.01723	0.8
61.98825	7.1
67.01859	0.7
71.01012	1.0
71.01386	18.6
71.05019	0.7
71.56082	1.1
72.98972	0.6
72.99310	5.7
73.02949	4.0
73.91654	0.6
75.00875	30.1
79.95715	1.5
83.01380	1.7
83.05025	4.0
85.02950	13.3
85.06601	1.1
87.00897	3.9
89.02441	9.1
93.03430	1.9
95.01370	2.7
96.96016	41.4
97.02910	0.8
99.00877	7.9
101.02457	7.6
111.04506	2.4
113.01723	1.0
113.02454	13.9
115.00337	1.5
116.92841	1.1
117.01967	1.8
119.03477	2.8
119.04969	0.7
129.05611	0.9
131.07101	2.6
135.04507	1.6
137.09695	1.9
139.11290	14.2
143.03448	1.0
143.07083	2.1
155.07106	1.4
161.04515	2.8
163.11240	0.8
171.91763	0.7
173.04440	2.1
173.08160	3.6
175.02441	1.5
179.05533	1.5
181.08656	1.0
181.12343	5.5
183.10249	13.2
191.05588	2.1
191.75015	0.7
199.09589	0.9
199.13303	1.9
225.11293	3.4
229.04996	0.7
231.05045	1.2
243.12361	3.7
249.06148	9.0
269.13794	2.4
271.19000	0.9
273.03952	1.5
274.14496	0.7
311.05505	2.3
317.16055	4.3
361.14917	1.9
379.16083	19.9
389.21402	1.0
431.09512	2.8
431.19138	1.4
433.16751	1.4
433.24149	5.2
449.20349	0.8
457.25586	1.2
475.21417	7.8
493.18988	100.0
493.29480	22.2
494.19205	6.7
494.30447	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	491.2859
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01867	0.5
55.87752	0.2
57.03434	0.9
58.00583	0.8
59.01376	15.5
61.98835	0.8
66.40485	0.3
70.31029	0.7
71.01376	8.7
72.99296	1.2
73.02940	2.7
75.00866	0.4
83.01382	1.3
83.05019	0.8
85.02943	4.4
87.00874	2.1
89.02440	4.5
93.03477	0.4
95.01368	1.0
95.22080	0.3
97.02912	0.3
97.06606	0.3
99.00855	0.5
101.02434	5.7
101.06037	0.3
101.41569	0.3
113.02438	3.1
119.03513	1.4
119.05044	0.3
125.09724	2.0
127.11295	2.9
135.04504	0.7
137.09711	0.4
139.11337	0.4
141.12798	0.5
145.05054	1.0
155.10768	1.1
157.12250	0.3
161.04506	0.4
161.92731	0.3
165.09178	0.9
171.10278	5.2
171.16853	0.3
173.04535	1.2
180.06847	0.3
183.10231	0.8
185.11845	0.6
191.05621	0.9
199.09689	0.8
201.11308	26.1
202.11728	0.5
203.12842	0.5
214.70192	0.3
215.12872	0.4
219.10284	0.3
234.93655	0.3
247.03357	0.3
263.20123	0.5
275.20193	0.9
293.21234	2.7
311.22238	8.3
312.22672	0.7
317.19687	0.6
323.13385	0.4
329.23285	15.1
330.23380	0.6
363.16492	1.8
431.26407	0.9
449.27350	0.6
473.27567	0.5
491.28568	100.0
492.28915	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73136	0.2
55.01861	0.7
57.03437	0.9
58.00592	0.9
59.01379	17.7
61.98820	1.1
69.03445	0.4
70.58065	0.2
71.01380	9.3
72.99300	1.0
73.02941	2.5
75.00876	0.9
78.95924	0.4
82.95447	0.2
83.01388	1.9
83.05028	0.5
85.02953	4.2
86.00084	0.5
87.00880	2.0
89.02440	4.4
92.10918	0.3
93.03469	0.7
95.01381	0.9
96.96033	0.3
97.06577	0.2
99.00890	0.8
100.25301	0.2
101.01789	0.4
101.02444	6.2
109.06551	0.2
111.00927	0.3
111.04510	0.4
111.13657	0.2
113.02451	3.5
115.00307	0.3
119.03507	1.0
119.05010	0.4
121.02943	0.3
125.02432	0.3
125.09735	2.1
127.11273	2.5
135.04488	0.5
137.09743	0.3
139.11304	0.5
141.12799	0.7
142.99837	0.4
143.03534	0.2
145.05066	0.4
155.03456	0.3
155.10767	1.4
156.03874	0.2
157.12320	0.5
159.02946	0.3
160.18242	0.2
161.04518	0.8
163.03934	0.3
165.09166	1.2
167.02094	0.5
167.03423	0.3
171.10243	5.1
173.04532	1.5
174.01695	0.6
179.03523	0.5
183.10226	1.0
185.11856	0.6
191.05557	1.7
199.09721	0.8
201.11302	26.7
202.11668	0.7
203.12820	0.5
211.13354	0.3
215.12877	0.7
219.10228	0.4
223.13507	0.2
263.20206	0.5
275.20236	1.0
287.16394	0.4
287.22333	0.3
290.02902	0.2
293.21170	3.1
311.16476	0.5
311.22250	8.5
312.22522	0.5
329.23273	15.1
330.23514	1.1
334.55957	0.2
345.15475	0.3
363.16632	1.9
383.09634	0.4
431.26422	1.3
449.27704	0.9
473.27533	0.6
491.28549	100.0
492.28934	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01428	0.3
55.01881	0.4
57.80566	0.3
59.01381	100.0
60.01714	0.6
61.37579	0.3
61.98838	1.8
69.03470	0.5
71.01385	7.3
72.99324	1.1
73.02946	4.7
74.94180	0.3
75.00876	6.8
81.99056	0.3
83.01408	1.5
83.05020	0.5
85.02950	3.8
87.00900	1.1
89.02454	4.4
90.96036	0.3
93.03455	0.7
95.01421	1.2
96.96011	2.9
97.02950	0.4
99.00878	2.8
99.04513	0.4
101.02454	5.1
103.00361	0.5
113.02451	6.5
113.03250	0.4
119.03532	1.0
125.02413	0.4
131.03503	0.7
135.04593	0.4
137.09753	1.5
143.03517	0.9
149.04558	1.9
151.00389	0.4
152.15112	0.3
154.96298	0.4
161.04532	2.5
173.04599	1.3
173.11510	0.3
179.05539	0.5
189.13654	0.3
191.05675	1.9
233.06833	0.4
249.06279	1.3
269.17807	0.4
282.97046	0.3
322.56146	0.3
389.21909	1.2
413.18054	0.7
431.23187	3.5
449.19485	0.6
449.24686	0.5
491.17810	7.4
491.25037	1.5
492.18167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2658
Annotation	Mucronine B
Peak:m/z	Relative Intensity
56.49016	0.7
59.01368	1.4
61.98819	1.2
66.03472	1.0
71.02497	3.3
71.56097	0.9
90.56168	0.6
96.96011	0.8
97.00436	0.6
110.03563	0.8
113.07203	0.8
115.08763	9.3
116.05031	0.9
118.06614	3.8
119.92264	0.6
125.07223	3.0
126.05598	1.6
127.27769	0.5
128.66237	0.6
131.04976	0.7
141.06705	4.2
146.06117	9.0
152.08278	1.3
153.06641	0.8
163.08748	0.8
170.09354	2.6
173.07158	1.3
174.05611	1.2
179.11852	3.9
193.70261	0.6
200.10803	1.0
203.57504	0.7
214.15671	4.3
215.80119	0.7
217.13405	1.3
227.11877	2.4
228.10229	2.0
240.07637	1.1
244.14549	0.6
245.12936	2.3
262.15579	2.6
269.16174	1.1
277.34967	0.6
297.58237	0.6
299.17639	0.8
309.20596	1.2
320.31570	0.6
326.18747	5.6
344.19717	2.5
381.56769	0.7
400.20502	0.6
427.87936	0.6
491.26559	100.0
492.26837	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01378	100.0
60.01701	0.6
61.98833	2.2
69.48906	1.9
69.91019	0.3
71.01385	5.8
72.01711	0.4
72.99318	0.7
73.02945	1.9
75.00876	1.9
83.01404	1.0
85.02957	2.7
87.00892	0.9
88.65620	0.3
89.02425	2.0
89.39626	0.4
93.03471	0.9
95.01408	0.5
96.95988	0.4
99.00903	0.6
101.02445	4.4
111.04506	0.7
113.02448	2.2
119.03526	1.0
119.05022	0.6
132.57591	0.3
135.04512	0.8
139.51466	0.3
143.03520	0.4
159.03008	0.4
161.04506	1.8
171.10278	0.3
173.04541	1.8
177.48392	0.4
179.03654	0.5
179.05641	0.4
189.37189	0.4
191.05638	1.9
209.62500	0.4
239.20210	0.8
240.20621	0.7
262.21838	0.5
269.21429	1.1
270.21609	1.9
328.24957	3.4
329.25244	7.4
330.26270	0.5
331.27039	0.3
371.20789	1.6
383.09665	1.4
389.21780	3.4
431.22589	1.3
431.27783	2.0
449.27783	1.3
491.29620	4.2
492.31863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08908	0.4
50.12939	0.5
50.48499	0.4
57.03426	0.4
59.01380	100.0
60.01707	0.8
61.98839	4.1
62.44459	0.4
69.32916	2.6
69.33330	1.2
71.01384	6.9
71.18124	0.5
73.02953	2.6
75.00881	2.0
83.01402	1.9
83.05047	0.6
85.02967	2.2
87.00901	1.1
88.98802	0.5
89.02448	4.5
93.03470	1.4
95.01408	0.7
96.96028	1.2
97.06615	0.5
98.19915	0.8
99.00877	0.6
101.02447	4.7
113.02439	4.1
115.29158	0.4
119.03525	1.5
119.05080	0.6
127.05124	0.7
130.08716	1.0
135.04568	1.3
143.68172	0.5
148.05531	0.5
151.00433	0.7
161.04549	1.6
169.93248	0.4
171.10278	1.8
173.04541	3.9
191.05673	3.2
195.10202	5.0
210.19510	0.4
211.13396	3.4
223.13480	0.5
227.16583	1.5
237.11528	0.5
251.02800	0.4
253.09293	1.3
371.20706	4.6
389.21777	7.1
390.22244	0.5
411.22610	1.3
431.22406	4.3
436.27292	0.6
449.27670	0.7
455.25568	1.6
455.50449	0.5
473.17413	0.5
491.20947	4.8
491.28983	2.7
492.31870	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	491.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80597	0.8
59.01376	100.0
61.98821	10.7
71.01377	26.4
71.56561	1.8
72.01691	0.8
72.99287	1.6
73.02943	34.5
75.00874	3.3
83.01391	9.0
85.02944	5.7
87.00893	1.8
89.02429	9.3
93.03458	1.5
95.01378	1.4
96.95985	1.9
97.02922	1.1
100.99651	0.9
101.02438	31.1
101.03110	1.8
110.00106	0.9
113.02438	13.3
119.03500	4.3
119.05029	1.1
125.02437	2.0
131.03503	3.9
135.04532	2.9
143.03481	3.3
149.04562	5.9
151.00348	3.3
161.04543	10.1
173.04546	4.5
179.03421	1.4
184.46388	0.8
189.12852	4.9
191.05612	2.3
203.05629	1.4
221.06664	2.6
227.16629	1.1
241.49156	0.9
287.05551	2.0
317.19562	1.4
371.20834	4.6
389.21783	1.0
428.26413	1.1
431.22696	4.4
431.27206	1.9
468.40259	1.0
473.26318	1.0
491.29370	5.4
492.31107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03447	4.3
59.01383	46.4
61.98829	24.2
69.03444	2.5
70.68443	3.7
71.01380	59.3
72.99332	2.3
73.02944	16.5
75.00867	2.8
76.39871	1.8
83.01401	6.7
83.30079	1.6
85.02949	27.7
87.00865	6.1
88.98807	14.1
89.02454	16.6
93.03462	1.9
95.01376	3.6
96.33388	1.8
96.96033	8.2
97.02956	2.0
99.00346	1.6
99.00869	9.0
101.02447	43.7
107.97807	1.5
111.00865	2.7
113.02448	24.0
115.00295	2.3
119.03494	4.9
119.04987	1.5
121.02965	4.1
125.02456	1.8
143.03487	3.3
159.03000	4.7
161.04553	26.1
165.01883	4.9
173.04514	5.9
179.05612	3.9
191.05681	4.4
261.50958	1.6
263.07559	2.4
269.10236	22.9
371.25571	3.5
431.15601	100.0
431.22174	7.0
432.15884	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00574	1.8
59.01382	100.0
59.71546	1.3
61.92603	1.5
61.98829	7.5
69.59154	7.2
69.59573	3.1
71.01384	33.9
72.99289	1.4
73.02947	19.7
75.00865	3.4
81.15097	1.2
83.01380	5.3
85.02938	10.8
87.00853	4.9
89.02449	20.4
93.03495	1.8
95.01373	2.8
96.96036	2.2
97.02950	1.8
99.00871	3.7
101.02453	24.0
113.02452	19.7
116.96181	1.4
119.03471	4.6
121.02979	2.4
122.06141	3.2
123.08089	1.9
125.02398	1.4
132.04524	1.3
134.06126	1.6
138.06853	4.5
139.84871	1.6
141.09232	2.7
143.03477	4.1
152.07166	7.9
153.09224	4.0
155.03455	1.4
161.04575	7.6
162.05600	2.1
173.04572	6.5
179.05577	3.4
191.05582	3.2
192.06688	7.8
204.06639	1.9
225.14961	1.4
230.34483	1.4
243.15936	9.4
357.14569	14.0
387.15207	1.8
387.20200	24.7
388.20511	2.2
405.21310	31.2
431.22998	7.2
447.22516	8.5
449.24255	1.9
462.89417	1.5
491.17313	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	491.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90310	1.4
57.03439	1.4
59.01381	100.0
61.98818	6.3
69.03443	1.9
70.92724	2.4
71.01382	33.1
71.55560	1.4
72.99313	1.8
73.02552	2.5
73.02948	39.7
75.00865	5.5
79.49432	1.3
83.01389	13.2
85.02981	7.2
87.00855	3.0
89.02440	9.3
93.03458	5.0
95.01389	2.2
96.95978	1.4
97.02946	1.6
101.02444	38.6
113.02455	15.0
119.03487	4.0
125.02454	1.8
131.03494	3.0
132.82574	1.4
134.03636	1.6
135.04538	2.7
138.81377	1.8
143.03471	3.8
149.04553	5.8
151.00331	1.5
155.03528	2.1
159.48340	1.2
161.04533	12.5
168.12552	1.4
171.10318	3.3
173.04562	12.5
179.03320	2.7
189.12878	7.8
191.05624	8.4
193.12283	1.7
196.39830	1.4
203.05579	2.4
211.13399	6.1
221.06714	3.6
371.20700	2.2
383.09558	2.9
431.26907	3.1
447.22177	2.7
490.30106	2.9
491.20636	10.8
491.28992	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	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
71.01382	2.6
71.55087	1.0
72.99302	1.8
73.02939	3.2
75.00873	19.0
85.02952	0.9
87.00842	1.0
89.02437	9.9
103.04005	1.9
115.00363	2.6
115.19195	0.7
129.70642	0.7
130.99869	3.7
131.03470	5.4
140.83398	0.8
149.04547	100.0
219.59706	0.7
223.33052	0.8
327.86703	0.7
409.29465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77858	0.3
56.94770	0.3
59.01367	0.7
61.98825	1.0
69.55370	1.5
69.55782	0.6
76.02245	0.3
78.95901	100.0
96.96017	0.5
96.96961	8.4
107.03233	0.3
111.57283	0.3
124.01549	1.4
140.01210	0.5
146.14836	0.3
148.06133	0.3
148.96956	0.3
150.98045	0.4
152.99580	17.8
167.02092	4.4
168.02446	0.8
171.00638	19.6
191.05478	0.7
214.04823	0.4
291.19589	0.6
292.19974	0.4
416.21970	1.9
433.49429	0.3
437.16980	0.3
488.94028	0.3
490.25711	67.3
491.25967	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	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16202	0.5
59.01378	1.2
59.51858	0.5
59.62485	0.5
70.68738	1.5
71.01379	33.7
72.01713	0.5
73.02946	0.6
74.79260	0.5
75.00878	1.5
80.22733	0.5
85.02934	1.0
87.00897	0.7
89.02448	1.8
96.01437	0.5
96.96015	1.6
101.02449	0.8
112.98705	0.5
115.00371	100.0
115.04007	2.2
116.00724	1.4
119.05045	0.8
140.89410	0.5
149.04549	7.0
153.49808	0.5
163.04024	0.9
165.05615	0.8
170.96162	1.9
179.05609	0.8
191.05594	1.0
209.08195	0.6
210.99205	0.7
317.19608	0.6
327.00711	0.9
341.10806	1.0
357.11716	0.7
491.05118	2.3
491.15094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01377	100.0
60.01704	1.0
61.98838	1.9
62.89009	0.3
67.51833	0.3
71.01382	3.7
73.02942	1.2
75.00841	0.7
77.32117	0.3
83.01414	0.8
85.02943	2.0
87.00874	1.1
89.02428	1.6
93.03469	1.4
95.96001	0.3
96.25320	0.3
96.96030	0.9
97.06561	0.3
98.20741	0.7
99.00865	0.4
101.02435	2.7
104.01309	0.4
107.01408	0.5
113.02480	1.8
119.05019	4.1
133.02942	1.1
134.03702	0.3
135.04477	0.4
137.02466	0.5
145.02908	0.6
151.00363	1.2
158.30673	0.4
161.04504	0.7
173.04524	2.6
175.03979	0.4
179.05731	0.3
191.05605	1.5
192.99669	0.4
256.03766	0.9
267.07172	0.9
269.04501	0.4
284.00842	0.3
284.03235	13.6
285.04001	17.8
286.04419	0.9
297.13531	1.6
299.05344	0.4
315.09787	0.4
315.18176	0.5
327.05002	2.2
357.06137	0.5
383.07642	0.4
387.20273	1.1
429.16940	0.6
447.26016	0.6
489.10315	16.7
489.23123	1.4
489.29913	1.6
490.10678	1.0
490.30078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42342	0.4
51.10350	0.4
52.28929	0.3
55.01868	0.6
57.03431	0.6
58.00586	1.4
59.01377	16.4
61.98825	1.1
63.00806	0.4
63.87756	0.4
70.51286	0.4
70.93499	0.7
70.93835	0.7
71.01380	10.0
72.99295	1.0
73.02940	2.0
78.70574	0.4
83.01357	1.4
85.02949	4.4
87.00867	2.3
89.02440	4.3
95.01366	0.6
97.06622	0.5
99.00856	1.0
101.02450	5.9
107.08636	1.3
111.00828	0.4
113.02432	3.2
119.03509	1.8
119.05011	1.7
119.08635	0.6
121.02942	0.9
125.09704	1.6
127.11292	2.7
135.04523	1.1
137.02519	0.4
137.09712	0.5
139.11351	0.5
149.02431	1.1
155.10754	1.2
161.04439	0.5
165.09158	0.9
171.10266	4.2
173.04562	1.3
179.03418	0.5
183.10283	1.2
185.11806	1.3
191.05562	1.0
192.07890	1.2
199.09718	0.9
201.11310	34.6
202.11635	1.2
203.12888	1.0
213.11298	0.4
229.19669	0.8
257.11792	0.6
261.18597	1.0
273.18594	1.4
279.19644	0.6
285.04095	0.5
291.19650	2.6
297.20840	1.0
309.15228	0.6
309.20691	3.8
315.12329	0.7
326.63733	0.4
327.15906	1.5
327.21729	6.9
345.16345	0.4
363.16614	4.4
471.26096	1.3
489.27020	100.0
490.12454	0.4
490.27426	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	489.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03438	4.1
58.00584	1.2
59.01376	100.0
60.01715	1.0
61.98834	1.6
67.01882	0.8
69.03468	1.8
71.01376	47.7
72.99303	2.3
73.02941	22.6
75.00883	2.1
81.03432	1.0
83.01378	7.4
85.02945	27.0
86.03321	0.8
87.00865	5.0
89.02441	10.9
93.03457	2.0
93.58401	0.6
95.01380	5.9
96.95996	1.7
97.02972	3.1
97.06610	1.0
98.20765	1.4
99.00868	14.8
99.77888	0.7
101.02439	26.1
109.02950	0.7
111.00887	2.5
111.04512	0.9
112.01699	1.1
113.02444	31.6
119.03519	2.2
119.05041	2.0
121.02956	1.3
125.02465	3.1
127.04044	0.9
129.01909	1.7
131.03525	2.3
135.04533	1.8
143.03513	3.4
155.03519	0.7
159.02948	4.1
161.04536	14.2
161.05902	1.2
165.09207	1.0
173.04568	3.2
173.05968	1.0
191.05637	2.8
201.04175	0.8
257.11807	1.9
269.11893	1.7
284.03308	1.2
285.04123	1.6
285.20746	1.2
297.17020	1.1
299.25916	2.5
309.15048	6.0
315.12613	1.0
315.18054	15.4
327.15982	13.4
328.16693	1.1
345.30206	3.1
357.19489	2.2
429.20792	5.5
430.21463	0.8
433.11130	0.8
447.22263	49.9
448.22668	2.5
453.20459	1.0
489.23602	62.0
489.34525	18.8
490.23224	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.2
61.96161	0.5
69.44166	2.9
69.44573	1.4
71.01375	2.6
73.02947	0.9
85.02976	1.2
89.02431	1.2
93.03457	0.9
96.96020	2.8
98.19852	0.9
101.02438	1.5
113.02457	1.5
141.69519	0.6
153.09224	0.8
161.04558	1.2
173.04544	1.5
191.05580	1.0
235.26927	0.5
235.29648	0.5
327.05005	1.6
328.06232	0.5
369.07086	0.6
369.23608	0.7
372.56332	0.6
429.21484	1.8
437.01810	0.6
489.23697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03438	4.1
58.00584	1.2
59.01376	100.0
60.01715	1.0
61.98834	1.6
67.01882	0.8
69.03468	1.8
71.01376	47.7
72.99303	2.3
73.02941	22.6
75.00883	2.1
81.03432	1.0
83.01378	7.4
85.02945	27.0
86.03321	0.8
87.00865	5.0
89.02441	10.9
93.03457	2.0
93.58401	0.6
95.01380	5.9
96.95996	1.7
97.02972	3.1
97.06610	1.0
98.20765	1.4
99.00868	14.8
99.77888	0.7
101.02439	26.1
109.02950	0.7
111.00887	2.5
111.04512	0.9
112.01699	1.1
113.02444	31.6
119.03519	2.2
119.05041	2.0
121.02956	1.3
125.02465	3.1
127.04044	0.9
129.01909	1.7
131.03525	2.3
135.04533	1.8
143.03513	3.4
155.03519	0.7
159.02948	4.1
161.04536	14.2
161.05902	1.2
165.09207	1.0
173.04568	3.2
173.05968	1.0
191.05637	2.8
201.04175	0.8
257.11807	1.9
269.11893	1.7
284.03308	1.2
285.04123	1.6
285.20746	1.2
297.17020	1.1
299.25916	2.5
309.15048	6.0
315.12613	1.0
315.18054	15.4
327.15982	13.4
328.16693	1.1
345.30206	3.1
357.19489	2.2
429.20792	5.5
430.21463	0.8
433.11130	0.8
447.22263	49.9
448.22668	2.5
453.20459	1.0
489.23602	62.0
489.34525	18.8
490.23224	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18520	0.6
57.03447	0.8
59.01381	40.4
61.98827	4.9
71.01387	20.5
71.55428	0.9
72.99306	2.4
73.02954	3.7
75.00870	1.4
79.95689	0.7
80.96523	2.8
83.01391	5.3
85.02949	4.1
87.00880	30.7
88.01227	0.9
89.02441	2.3
93.03454	2.0
95.01402	0.7
96.96020	3.7
99.00885	0.8
101.02441	7.7
106.92393	0.7
111.00881	5.5
112.98796	0.8
113.02466	5.4
115.00379	51.1
119.03511	1.1
121.02977	1.2
125.02438	0.7
127.00387	1.5
139.00372	13.9
146.06154	1.3
146.60176	0.7
157.00156	1.5
157.01428	26.6
158.01727	0.8
161.04582	1.5
171.10269	1.4
173.04570	2.7
174.05577	1.4
175.02478	100.0
176.02856	1.5
191.05588	3.9
221.06874	0.8
225.00717	1.1
226.12457	3.3
227.11879	0.8
241.07410	1.4
241.09685	0.8
269.12946	11.1
297.12494	1.1
299.14059	1.1
313.11963	12.2
313.15222	1.2
316.65631	0.7
327.12430	1.5
341.11469	1.1
343.13034	3.0
362.49380	0.7
371.12469	9.4
373.13879	0.8
385.14023	1.6
391.13043	1.4
409.14029	7.8
427.15121	12.2
429.13162	3.8
429.21252	1.2
453.13092	0.9
471.14877	3.5
474.70203	0.7
488.67200	0.8
489.16040	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	489.2134
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
50.58251	0.7
59.01382	26.7
61.98815	1.8
67.01894	0.9
68.99795	0.9
69.03465	1.3
71.01383	6.8
71.56340	1.1
73.02923	1.8
75.00865	1.7
78.34492	0.6
81.03453	5.5
83.01379	1.2
83.05032	25.5
85.02965	3.6
87.00880	1.4
87.01395	0.7
89.02450	1.4
93.03459	4.0
95.01373	2.3
96.02184	3.6
96.96002	1.7
97.02954	26.2
97.73588	0.8
99.00875	1.2
101.02423	5.8
101.06082	2.5
103.52846	0.7
109.02932	1.8
110.03732	1.7
111.00883	6.4
111.04516	1.6
113.02430	3.2
115.07616	2.0
119.03383	0.7
119.05009	2.5
121.03017	1.1
121.97792	0.6
123.04494	0.8
127.03973	1.0
128.01138	3.6
133.06598	3.1
134.06064	0.8
135.04500	1.5
137.02417	0.8
138.03183	0.8
139.03920	0.8
142.02733	1.4
145.05052	4.5
147.08142	1.1
150.06795	1.0
151.04037	4.4
155.03516	2.4
161.04572	1.6
161.06046	8.4
163.07634	2.0
165.09206	36.5
166.09540	1.0
171.10440	0.9
173.04568	7.9
187.75964	0.7
191.05557	2.7
191.07121	0.9
196.07414	2.0
207.10297	4.5
209.15442	2.1
219.10243	2.5
251.43819	0.7
253.14482	3.9
257.11871	4.9
271.15546	6.1
284.03070	0.8
285.03873	1.0
300.09991	1.0
315.12271	1.0
315.18124	7.5
327.16019	74.3
328.16269	4.2
429.25360	1.4
469.73795	0.7
489.21213	100.0
489.26898	7.7
490.21552	8.6
490.27805	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	489.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84174	1.0
51.59435	1.1
52.73530	1.0
52.81126	0.9
56.98660	0.9
57.03445	2.4
59.01380	22.6
63.24048	1.0
70.44234	2.3
70.44605	2.3
71.01379	100.0
72.99303	26.7
85.02953	2.9
87.00878	32.7
87.12697	1.0
89.02449	11.1
96.96011	8.2
98.20010	1.3
101.02431	5.4
101.06074	3.4
102.05618	1.6
112.98616	1.7
113.02412	4.1
115.00372	33.9
119.03489	4.5
128.03543	1.3
129.01938	7.3
131.03476	1.2
133.01424	2.6
143.03510	1.2
146.04556	2.4
147.02992	99.6
147.06627	40.4
148.03317	1.9
148.06981	1.3
179.05553	6.8
191.05640	6.0
341.10849	34.1
342.11108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.7
60.01706	0.6
61.98828	100.0
63.69215	0.3
68.91542	0.3
69.23512	0.7
69.23919	2.6
71.01392	1.3
73.02952	1.2
78.95908	1.0
81.76666	0.3
83.05019	0.5
85.02964	0.8
89.02437	0.4
93.03471	0.6
96.96013	0.7
101.02451	1.3
102.02779	0.3
107.05049	0.6
113.02442	0.6
113.11736	0.3
119.05044	2.0
152.99590	1.3
158.27193	0.3
161.04552	0.6
163.11310	0.4
173.04614	1.2
191.05630	1.9
205.12331	0.4
206.12633	0.5
209.11790	2.2
210.12144	3.0
214.49416	0.3
225.14900	0.4
228.13333	0.6
245.89972	0.3
286.59677	0.4
386.19098	0.3
428.20139	0.6
429.21332	0.4
456.17371	0.8
484.70941	0.4
488.20105	4.1
488.27963	0.6
489.24014	0.3
489.30118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80358	1.7
55.66072	1.9
57.03448	18.8
57.11893	1.7
59.01377	62.3
59.53803	1.8
61.98823	4.0
63.10199	1.5
69.03451	3.4
69.79658	6.5
71.01384	17.1
71.14456	1.7
72.99277	2.3
73.02942	12.6
75.00854	7.1
78.95913	3.4
79.95763	3.0
80.96519	17.2
82.95409	20.6
83.01367	6.1
83.05007	2.5
85.02935	11.4
87.00878	3.1
89.02423	7.5
93.03424	2.6
94.60966	1.6
94.98111	3.7
95.01388	2.4
96.96009	5.5
96.96968	4.6
101.02431	15.2
105.01875	1.7
108.02137	2.4
109.02955	4.8
111.00869	10.7
111.04443	2.8
113.02462	9.1
119.03505	1.7
119.04963	1.9
121.06679	1.6
123.00861	2.0
123.04538	2.9
123.08142	8.5
128.03484	2.4
134.03792	2.4
134.97455	2.0
135.04520	13.2
135.08189	3.9
141.01903	13.4
142.02232	4.0
145.02957	4.4
147.04448	2.2
148.05270	3.4
149.06073	3.0
149.09714	1.8
151.07642	23.5
152.01125	6.1
152.99606	2.1
153.01857	3.1
155.03450	2.4
161.04556	2.6
161.09782	9.1
163.03957	2.2
163.07640	19.3
164.98631	3.4
165.09177	7.9
167.03470	6.3
171.10294	4.1
173.04544	9.9
173.09738	2.1
177.09143	4.6
179.10747	17.2
188.08438	10.3
188.94786	2.5
191.05605	11.4
203.10767	73.2
204.10934	3.4
221.11804	100.0
225.00739	6.6
235.06082	2.0
295.21130	2.0
295.62195	2.0
345.24551	3.8
394.86823	2.0
487.14908	48.5
487.21252	1.8
487.27582	5.3
488.15607	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
55.97755	0.5
57.03447	0.7
59.01377	100.0
60.01741	0.8
61.98824	1.0
69.41917	3.4
71.01380	11.4
72.99314	0.7
73.02943	9.4
83.01402	2.3
85.02946	4.2
87.00882	1.2
89.02445	2.8
89.11713	0.6
93.03457	0.7
95.01395	1.4
96.96000	2.9
97.02946	1.4
98.95609	2.2
99.00906	1.6
101.02434	9.6
111.00902	1.1
111.04536	0.6
113.02443	5.6
113.06104	0.7
119.03477	0.6
119.05009	2.9
123.08128	0.5
135.55803	0.5
136.05383	0.7
138.06865	4.1
139.07675	2.6
141.01945	1.9
142.02295	0.8
145.02908	0.6
149.04587	1.3
151.03960	0.6
151.07605	5.1
152.04839	1.0
152.08424	8.9
153.09203	34.0
154.09595	0.9
161.04529	4.0
161.09776	0.7
165.09222	1.5
173.04530	1.7
179.10744	1.8
190.09871	0.5
191.05669	1.5
203.05681	1.8
205.12325	12.3
221.06577	0.7
223.13402	13.2
243.61217	0.6
269.04428	1.2
269.10217	2.8
367.17563	9.4
385.18735	3.7
401.14386	5.5
402.14807	0.7
427.19669	14.3
428.20032	0.9
443.15561	11.2
487.22021	1.2
487.28339	1.3
488.28650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
57.03440	5.0
59.01377	65.1
61.98826	14.9
67.01878	4.4
68.99803	6.8
69.03450	5.4
69.58195	10.4
71.01379	30.7
73.02936	4.9
75.00878	3.3
83.01379	5.3
85.02948	28.1
86.00071	3.4
87.00849	9.1
88.58971	1.5
88.98826	1.5
89.02417	7.1
91.03976	2.7
93.03451	7.0
95.01385	5.3
96.95995	5.0
98.20628	2.9
99.00884	2.2
101.02448	9.4
107.01408	1.9
111.00856	3.0
111.04512	3.8
112.01681	1.8
113.01704	2.8
113.02440	29.7
114.05547	1.6
115.92038	1.9
117.03448	1.9
119.03510	2.7
119.04992	3.7
121.02969	2.0
123.08155	2.6
128.03537	1.5
129.01967	2.2
133.02922	2.0
133.10239	2.5
135.04530	3.8
135.11804	27.5
139.00363	3.1
155.03529	2.0
157.01402	2.4
161.04555	1.7
161.09666	2.9
169.05107	1.8
173.04533	14.2
179.10757	87.6
180.11162	2.6
187.07655	2.7
189.04092	2.3
191.05612	11.5
197.60178	1.5
205.07124	4.5
223.09724	2.9
231.05098	4.8
231.10191	2.2
249.05928	2.2
263.07672	51.0
264.07971	2.0
269.04492	15.2
269.11807	4.5
281.08807	11.5
287.12869	3.4
307.19156	6.6
341.97711	1.8
390.04147	2.0
390.10110	1.6
408.14267	1.8
411.16617	5.7
433.11267	2.9
441.68375	1.6
443.19150	100.0
444.19452	6.2
487.18109	67.8
487.25342	17.8
488.09998	3.0
488.18237	3.6
488.24933	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03445	3.2
59.01377	84.0
59.93697	1.3
61.98816	6.0
65.00305	3.3
67.01891	3.4
68.99805	5.7
69.03446	4.1
70.14346	2.8
70.14745	2.1
71.01009	2.0
71.01382	34.5
72.99300	2.6
73.02946	15.3
75.00861	1.6
81.03442	1.5
83.01385	9.7
85.02947	27.1
86.00115	2.0
87.00869	10.0
89.02428	9.9
91.03995	3.2
93.03439	4.8
95.01383	3.8
96.95988	4.4
97.02951	1.4
99.00875	2.2
99.04525	1.9
100.01659	1.8
101.02438	15.7
107.01363	5.3
109.02947	1.7
109.06548	1.3
111.00874	5.7
111.04522	2.7
111.19954	1.4
113.02445	24.6
119.03523	2.1
121.02940	1.6
125.02451	3.1
129.01941	3.0
130.08685	1.5
135.04498	1.7
135.11807	12.4
139.00349	2.0
143.03494	2.9
149.04581	1.6
151.00357	9.5
155.03435	1.8
157.01389	2.3
161.04558	5.6
161.09692	6.1
163.03944	2.0
173.04549	10.4
179.03494	2.4
179.05595	1.6
179.10765	60.1
180.11044	2.2
187.11263	3.1
189.04018	3.2
191.05608	10.7
192.05901	1.8
205.12367	6.4
219.10173	3.5
223.09671	6.1
223.13293	1.4
231.05132	2.7
233.11812	2.7
235.02460	1.5
243.12488	1.4
245.89902	1.3
259.13342	2.0
263.07700	28.4
277.14392	1.5
278.62808	1.7
281.08780	4.5
297.13419	19.3
325.14349	2.1
390.03528	2.5
411.16479	7.2
427.19174	1.4
443.19220	28.8
455.15891	6.0
469.09604	2.7
487.10944	11.6
487.18115	100.0
487.25119	5.7
488.11981	1.4
488.18744	6.7
488.24896	1.8
508.44525	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	486.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48072	4.5
73.79179	0.5
85.05930	0.7
88.04039	52.3
88.21077	0.6
91.38689	0.6
98.20088	2.2
147.08150	1.5
149.09723	2.4
149.36896	0.7
161.09712	1.0
163.11266	2.3
187.11273	2.0
190.06145	0.6
194.05457	0.6
255.23245	1.4
255.73402	0.7
279.13840	1.1
307.16861	0.8
309.22235	1.7
321.18176	0.7
337.21710	100.0
338.22040	7.1
468.03442	0.6
486.26733	15.5
487.27164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
59.01371	2.1
59.63305	1.5
69.37077	10.1
71.01376	10.9
73.02946	4.3
74.02499	2.1
87.00880	2.4
89.02406	1.8
98.20618	2.1
98.98347	1.4
99.00883	5.4
101.02439	41.8
102.05608	5.9
109.04156	1.4
115.00403	2.3
127.05135	9.3
128.03555	6.4
144.02983	1.5
145.01431	100.0
145.05048	3.1
145.06184	56.5
146.01791	2.0
146.04593	17.9
191.05606	13.8
217.24176	1.4
315.46198	1.3
341.10757	3.7
350.96326	1.4
395.03378	1.2
502.99432	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	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.9
57.03435	10.5
59.01373	25.7
62.53571	2.9
69.03443	2.8
71.00462	3.1
71.00796	3.4
71.01383	20.2
73.02935	5.7
83.01361	4.7
83.67503	2.3
85.02946	14.1
86.76205	2.5
87.00854	6.6
89.02431	11.1
96.96002	7.2
97.02939	2.9
100.72091	2.6
101.02423	8.2
109.02957	3.0
111.00876	8.5
113.02446	18.7
119.03469	5.5
119.05041	14.5
123.04572	3.5
134.03729	17.0
139.03949	2.9
147.04501	4.3
148.05286	68.6
149.06116	12.5
150.06847	2.5
160.01637	14.2
161.04616	3.3
161.06055	4.1
163.04002	9.0
163.07629	100.0
164.07973	2.7
172.05324	3.1
173.04596	3.5
173.06053	7.7
174.03157	7.7
174.06830	5.3
175.03984	45.5
186.06802	3.4
187.04022	10.4
188.04761	13.7
189.05609	9.3
190.02771	3.6
190.06226	4.0
191.05518	3.1
191.07129	6.2
192.04262	4.2
193.05060	3.4
200.04692	7.6
201.05550	7.7
202.06348	9.8
203.03516	10.3
203.07127	13.6
204.07822	6.1
205.05003	4.3
207.06531	4.0
212.04842	4.4
214.06329	8.1
217.05035	7.5
217.08627	5.9
218.05862	9.5
219.10190	9.9
221.08197	8.1
229.05086	5.4
229.08658	7.2
230.05852	24.5
231.06381	4.7
233.08127	25.4
235.06050	7.7
244.07332	8.7
245.08142	52.9
247.06032	4.2
249.07648	7.3
263.06546	5.5
263.09238	81.8
264.09451	4.9
277.07114	25.9
289.07138	13.8
295.08234	2.7
307.08167	21.0
407.13312	2.8
409.42761	2.4
425.14511	47.8
426.14871	4.0
439.47238	2.8
466.77740	2.9
469.13516	45.4
470.13623	3.9
487.14612	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	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.8
59.01376	100.0
60.01710	0.7
61.98825	1.3
69.36806	3.0
69.37218	2.0
71.01373	7.0
71.13143	0.7
72.99312	0.9
89.02438	18.1
98.19794	1.0
99.00876	6.6
111.39269	0.7
117.01937	12.4
117.02726	1.0
123.13583	0.7
134.03821	0.8
135.02985	1.2
145.07014	0.7
161.00882	0.8
177.04068	2.2
184.05356	0.7
239.58839	0.8
298.54895	0.6
309.60583	0.6
333.49582	0.7
467.31787	1.9
485.33310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
59.01375	1.7
60.99296	1.2
61.98816	0.3
69.03462	0.3
70.88126	0.5
71.01380	1.2
71.05022	1.4
73.02933	0.2
82.93178	0.2
83.01389	0.2
83.05020	0.7
85.02947	0.7
87.00882	0.3
87.54575	0.2
89.30896	0.2
94.35558	0.2
95.01427	0.3
96.96021	0.3
97.06596	11.1
98.06954	0.2
99.00904	0.3
101.02433	0.6
109.06589	0.2
113.02448	0.6
165.71452	0.2
173.04527	0.4
190.11339	0.3
191.05617	0.4
202.34750	0.2
209.11526	0.2
249.14980	1.1
253.09158	0.4
267.97052	0.2
271.09552	0.4
341.26996	0.2
355.22537	0.2
357.06079	0.2
365.27066	0.5
375.26907	0.3
377.28601	0.4
389.28668	0.3
401.96667	0.2
405.31729	0.3
423.32782	0.4
439.32053	3.8
447.09152	0.3
467.31665	7.7
468.31967	0.6
471.30652	0.3
485.32724	100.0
486.33032	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	485.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79698	0.5
52.03627	0.6
55.01875	0.9
57.03438	1.1
58.00588	0.9
59.01380	17.1
61.98824	1.2
69.64902	1.5
69.65328	2.0
71.01381	19.7
72.99305	1.3
73.02940	5.9
82.95412	1.1
83.01389	2.2
85.02945	7.3
86.00105	0.8
87.00879	5.2
89.02441	8.3
93.03465	1.7
95.01393	0.9
96.95997	4.9
99.00877	1.7
101.02441	13.2
107.60792	0.6
113.02454	7.2
116.99850	0.5
119.02264	0.5
119.03497	3.7
125.02447	0.5
131.03505	4.7
143.03532	0.8
145.07721	1.5
146.04872	1.3
155.03482	0.9
159.02968	1.0
160.06410	5.1
161.04535	4.9
161.07199	54.3
162.07547	1.3
173.04575	5.8
175.08757	20.6
176.04759	2.7
176.08992	0.6
177.09193	1.8
187.08842	2.7
189.06689	82.2
190.07002	1.7
191.05603	8.0
194.41046	0.6
203.08260	18.0
205.08653	3.3
219.10117	0.7
221.06664	6.1
229.09778	1.6
231.10251	2.3
249.11331	2.7
261.06039	1.0
267.12317	0.8
277.11896	0.9
293.10297	1.9
305.11414	9.5
311.11182	0.8
313.17917	0.5
323.12375	2.4
467.15967	3.6
485.17709	100.0
486.18152	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	485.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.36857	1.9
58.00591	2.0
59.01378	46.7
68.99806	2.5
70.94378	4.0
71.01379	62.3
72.99295	6.0
75.00869	3.8
79.54408	1.4
82.03018	1.9
83.01372	1.8
85.02948	5.9
87.00899	5.9
88.99759	1.5
89.02442	44.6
92.56903	1.5
97.02953	1.6
98.07629	2.0
99.00883	25.8
99.04495	1.6
101.02447	14.6
113.02437	15.6
115.00371	41.7
119.03496	14.7
126.01953	2.4
142.99863	100.0
143.03481	3.6
144.02928	2.4
145.01385	2.9
161.00929	44.3
161.04536	5.5
179.05608	16.1
282.67746	1.4
341.10864	99.4
342.11154	2.2
356.17215	1.5
378.65372	1.7
410.55890	1.8
514.92175	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	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01379	14.4
61.98818	7.9
69.87039	5.3
71.01376	17.4
72.99291	2.2
73.02928	1.3
78.95893	1.0
81.34319	1.0
82.95387	1.4
83.01390	8.1
85.02939	6.3
87.00842	3.3
87.01390	1.0
89.02435	8.4
93.02946	1.2
93.03456	18.4
96.74558	0.9
96.96009	27.3
97.02917	1.6
99.00870	11.5
101.02424	7.3
101.02991	1.4
102.59610	1.1
108.02133	1.4
109.02905	1.6
111.00845	1.6
111.04472	1.5
113.02406	4.8
117.03403	3.9
119.03473	4.3
119.05023	16.5
120.25841	1.0
125.02357	2.8
130.04253	1.1
131.05005	9.0
132.05824	10.1
133.02885	3.9
133.06613	10.5
135.04443	2.1
143.03482	1.3
143.04968	4.5
145.02907	3.2
145.06616	10.1
147.04518	37.1
148.05128	3.7
149.06064	11.1
155.03438	1.6
156.05643	1.2
157.06572	6.7
158.03687	1.6
159.04453	4.4
160.05219	3.8
161.02437	2.4
161.04672	1.6
161.05988	8.1
163.03978	2.0
163.07649	2.6
165.05466	3.7
171.04462	3.0
172.05237	2.4
173.04456	15.7
173.05998	10.3
174.06682	1.1
175.02786	1.1
175.04012	12.7
175.07620	6.0
176.04773	9.4
177.04121	1.5
177.05553	23.4
177.09126	4.0
179.05516	4.3
182.22971	1.1
187.03976	6.0
187.07523	4.3
189.05560	17.2
191.03795	1.4
191.05496	19.3
191.07112	5.0
193.04993	6.6
199.07616	5.8
200.04733	1.2
201.05565	12.9
202.06201	2.1
203.03362	4.8
203.07155	1.4
203.10655	1.3
205.05063	8.7
205.08681	11.0
215.07039	3.3
217.05003	1.5
217.08601	3.5
219.06641	17.6
219.10028	1.7
221.04538	100.0
222.04808	3.3
231.10245	8.7
233.08029	3.7
235.06001	1.6
243.06575	11.1
248.03867	1.4
249.11267	8.4
258.18890	1.0
261.06039	3.3
263.02972	2.2
263.05554	29.9
267.12366	2.1
293.10309	7.1
305.06519	4.1
311.11395	2.8
378.47726	1.2
423.12869	10.6
425.10620	2.4
425.19965	1.2
441.13950	12.7
442.13995	1.2
467.15857	6.2
485.12680	57.5
486.13000	2.5
486.25006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36615	0.3
56.57970	0.3
57.03443	0.5
58.63483	0.3
59.01381	2.4
61.98826	5.6
63.99249	0.4
67.01894	0.5
68.01383	0.4
68.99813	1.1
69.03451	0.7
70.87738	0.9
71.01371	1.4
72.99296	1.1
75.00864	0.7
78.95893	1.0
82.02978	1.5
83.01378	0.9
85.02964	1.9
86.00095	0.5
87.00870	0.7
87.91366	0.4
89.02487	0.4
93.03451	1.5
93.19849	0.4
95.01393	0.5
96.00901	0.8
96.96015	1.0
96.99326	0.5
97.64423	0.3
98.02457	0.4
108.00885	0.5
108.04518	0.5
110.02480	0.7
111.00872	1.1
111.04456	0.5
113.02462	1.4
115.00341	0.3
119.05006	0.6
122.02503	0.5
124.00394	4.1
125.01252	0.4
126.01949	2.5
127.00399	2.1
134.03693	0.7
135.04547	0.7
137.02417	0.5
138.01920	0.4
139.04095	0.4
140.03523	0.9
151.02641	0.4
152.03516	5.1
152.99561	0.6
155.03471	0.5
170.04564	0.9
173.04539	4.4
177.01952	0.4
179.03450	0.7
180.03027	0.4
191.05592	1.9
350.19553	0.8
376.21057	0.4
388.21048	0.6
418.22311	1.3
436.23425	1.6
448.10013	0.4
454.24426	25.4
455.24643	2.2
484.25479	100.0
485.25821	8.4
487.33582	0.4
487.69290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31981	0.3
57.03415	0.4
57.03878	0.3
59.01374	21.3
61.98816	0.7
65.73923	0.4
67.01882	0.6
69.03463	0.6
69.37955	2.7
71.01372	1.3
73.02975	0.5
81.03436	0.4
83.05027	0.5
85.02944	9.2
87.00877	2.3
93.03454	4.1
96.67258	0.3
96.95968	0.5
97.02945	0.7
98.20683	0.6
103.92007	0.4
106.02628	0.3
109.02950	0.7
111.00877	10.4
111.04505	1.2
125.09689	0.7
127.04029	2.2
153.09238	0.6
155.03476	0.6
160.84203	0.3
160.87682	0.3
171.02956	0.5
171.10194	0.7
173.00909	1.2
173.04547	2.0
191.05595	100.0
192.05974	2.1
197.11752	0.3
199.09830	0.9
200.10742	0.4
201.11307	0.6
211.13387	0.4
213.11443	0.4
215.09134	0.4
217.10757	0.8
229.10817	0.5
247.20737	0.5
285.03906	1.1
291.19608	2.2
309.20679	33.0
310.21094	2.0
327.04953	0.9
363.14804	0.7
366.94208	0.4
447.09427	0.9
465.24823	1.5
483.26544	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	483.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
61.98816	0.8
62.85150	0.3
64.74143	0.2
69.65818	0.5
69.66246	0.8
71.01381	0.8
73.02914	0.2
78.95907	1.2
79.95732	2.6
85.02940	0.6
87.00870	0.3
89.02452	0.4
93.03434	0.3
96.96006	100.0
96.96999	2.5
97.06586	0.3
101.02413	0.6
111.00895	0.2
135.04517	0.6
137.02377	0.3
138.01871	0.2
152.49590	0.2
153.01849	0.3
173.04567	1.6
174.03247	0.3
175.07611	0.3
191.05611	3.3
191.07176	0.4
200.62703	0.3
201.11230	0.4
202.11635	0.3
203.07127	0.6
209.11815	0.8
210.12184	0.5
223.38527	0.2
229.08727	0.4
247.09784	0.6
273.07382	0.3
291.08618	0.6
301.60898	0.2
413.70276	0.2
483.14853	0.7
483.21432	0.4
483.28302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98830	0.4
64.94868	0.2
71.01383	0.7
78.95900	1.6
79.95735	2.1
85.02949	0.5
93.03431	0.3
96.96007	100.0
101.02425	0.4
113.02459	0.5
135.04529	0.4
141.01985	0.3
143.20897	0.2
152.49153	0.2
154.40601	0.2
161.04457	0.3
173.04466	1.1
174.03169	0.4
187.07539	0.3
191.05579	2.7
201.11342	0.3
203.07071	0.5
209.11794	0.7
210.12189	0.3
211.12311	0.3
229.08870	0.3
247.09880	0.3
291.08722	0.5
375.92010	0.2
423.18713	0.3
441.19556	0.4
483.14584	0.3
483.20929	0.3
483.28085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
55.02126	1.2
57.03439	3.1
59.01375	40.8
60.99283	1.7
61.98837	8.1
67.01881	5.0
69.03426	2.7
69.32630	5.5
69.33050	4.5
71.01379	41.1
72.99301	1.7
73.02944	17.1
78.95901	23.5
79.22947	1.1
80.18432	1.1
81.03441	1.7
83.01383	9.1
85.02951	24.5
87.00881	8.8
88.01173	2.6
89.02443	5.5
93.03452	36.5
94.03796	12.0
95.01371	3.8
95.03986	1.6
96.96964	2.2
97.02934	2.2
98.20683	2.8
99.00858	8.5
101.02438	43.6
109.02947	1.3
111.04496	5.6
112.04797	1.3
113.02440	22.4
115.42921	1.2
119.55257	1.2
125.02402	2.1
133.02946	1.6
134.03690	2.0
143.03531	1.7
152.99574	34.8
155.03484	1.4
159.02951	2.2
161.04529	12.4
171.00577	1.6
173.04533	18.4
174.04845	8.5
174.60193	1.2
175.05011	5.8
178.02666	2.8
179.03206	2.3
180.03279	1.5
183.78275	1.6
191.05609	5.0
213.03433	1.4
285.03989	2.2
288.65225	1.3
291.18112	100.0
292.18298	3.7
308.00861	1.4
327.04990	5.8
345.89154	1.5
423.22339	70.4
424.22589	4.9
447.09601	5.9
450.14499	1.9
451.15067	20.5
452.15808	1.4
483.17999	9.4
483.23703	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	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95033	0.5
59.01379	1.9
61.98830	1.1
69.34457	4.1
75.00850	0.7
83.01381	0.7
85.02946	0.9
87.00868	2.6
93.03458	1.8
96.96018	4.5
102.50980	0.6
107.01385	1.5
109.02925	1.1
111.04511	0.8
121.02940	0.9
125.02408	0.5
127.03970	0.6
131.34822	0.6
133.02975	2.8
135.04538	0.9
137.02411	1.0
149.02364	0.7
149.99512	0.7
151.00366	3.2
152.99570	0.7
163.04066	0.8
173.02348	0.7
173.04512	4.4
174.04846	0.8
174.06844	1.0
175.03967	1.5
175.07384	0.9
185.06134	0.5
187.07684	1.0
188.08173	0.6
191.05594	7.6
192.05884	1.9
193.06090	2.0
199.03970	1.3
201.01843	0.8
204.06824	0.8
213.05553	0.8
227.03426	0.7
231.10399	1.0
232.10550	0.8
233.10776	0.7
241.04999	0.8
255.03201	0.6
256.03815	3.1
275.09265	1.9
276.09521	1.7
277.09659	1.0
283.99997	1.1
284.03247	46.2
285.04031	88.9
286.04456	4.9
297.04013	1.9
298.04813	0.7
299.05515	1.9
307.11758	1.4
308.12109	1.3
309.12354	2.0
327.05090	11.5
328.05313	1.2
357.06207	2.8
367.36429	0.6
447.09283	100.0
448.09619	6.4
482.26221	0.7
483.05142	2.5
483.17438	1.2
483.24191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03453	2.5
59.01377	96.0
60.05189	1.8
61.98819	16.1
69.49812	4.8
69.50228	6.5
71.01380	36.5
73.02945	30.2
75.00866	2.5
78.95880	1.7
82.25001	1.7
83.01402	10.0
85.02943	22.7
87.00872	2.3
89.02445	6.0
93.03445	5.3
95.01393	3.5
96.96010	2.3
99.00884	10.5
101.02434	38.6
109.02940	6.7
111.00855	3.0
111.04520	2.2
113.02455	18.1
119.04998	3.1
125.02374	3.1
127.64306	1.7
132.43869	2.0
133.02971	5.2
133.13072	1.8
134.03735	6.1
139.04019	2.8
143.03546	2.7
152.01038	1.8
153.01903	2.7
161.04587	10.0
163.46027	1.7
173.04533	10.2
177.01918	3.8
185.11896	2.4
191.05647	9.3
191.35651	1.9
196.93346	1.7
211.13379	2.1
219.51781	1.9
223.25238	1.9
223.87567	1.8
239.03392	1.6
245.13908	2.4
263.14960	33.7
269.04346	1.8
278.37781	1.7
289.16544	15.8
305.16031	4.5
306.07477	2.5
307.11755	4.1
370.39853	1.8
383.98471	1.8
395.19229	40.2
396.19424	2.8
421.20667	12.1
437.20227	100.0
438.20395	3.6
481.16980	6.6
482.24191	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	482.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08637	0.4
53.89347	0.4
59.01375	17.6
61.98826	100.0
71.01379	5.8
73.02943	8.2
73.27821	0.4
75.68264	0.4
83.01389	2.3
85.02930	0.6
89.02469	1.7
101.02439	9.3
113.02458	3.2
119.03521	0.9
131.03505	1.3
143.03436	0.5
149.04547	1.7
155.03726	0.5
161.04552	2.6
167.03484	0.7
171.39195	0.4
172.61490	0.5
173.04538	1.1
173.33340	0.4
186.49985	0.5
191.05775	0.6
221.06712	0.5
259.73901	0.5
285.04077	0.9
327.04996	0.8
333.41956	0.5
447.09384	0.9
483.19901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65321	0.4
57.03448	2.0
57.45567	0.4
59.01373	4.1
60.99301	4.8
61.98816	1.4
65.03954	0.7
67.01886	14.5
69.03453	3.9
69.37173	0.8
69.37576	2.9
71.01370	6.2
71.05007	0.5
73.02922	0.7
81.03450	2.3
83.01405	0.4
83.05002	2.3
83.22771	0.4
85.02946	1.3
87.00336	0.9
87.00873	19.1
88.98415	0.4
93.03452	100.0
93.58065	0.4
94.03774	1.9
96.02150	0.4
97.02925	0.4
98.20679	0.7
99.00877	2.4
99.04492	1.9
101.02436	0.9
103.04007	0.5
108.06282	0.4
109.02944	1.2
111.00863	0.7
111.04511	15.0
113.02428	2.1
115.04005	0.6
121.02966	0.5
124.17657	0.4
127.04029	0.5
129.01950	2.2
133.02975	3.3
134.03741	9.9
135.04503	3.1
137.02423	4.0
143.03467	1.0
155.03481	4.2
162.03151	0.8
173.04533	80.7
174.04849	1.5
177.01819	2.1
178.02693	11.2
179.03438	1.4
191.05592	1.2
246.04674	0.4
275.09238	2.1
306.07520	0.5
307.11847	1.3
308.09091	0.7
351.06952	1.2
352.07773	1.0
449.14499	48.8
450.14740	3.9
481.17145	26.8
482.17508	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01385	3.8
60.12568	0.4
60.99294	2.3
61.98824	2.0
67.01894	8.9
69.03461	2.0
69.32248	0.9
69.32650	3.6
71.01379	5.0
73.02953	0.9
74.34793	0.5
75.00899	0.5
75.74678	0.4
81.03450	2.4
83.05033	2.6
85.02956	1.5
87.00880	7.8
93.03460	58.4
94.03816	0.9
95.01377	0.6
97.06603	3.4
99.00909	1.7
99.04488	0.7
101.02449	0.8
105.03468	1.8
106.04248	1.0
108.02183	0.5
109.02937	1.6
111.00872	1.2
111.04521	13.1
113.02460	1.4
115.46244	0.5
119.05001	0.7
121.02958	3.0
127.04042	0.7
129.01939	1.3
133.02965	15.4
134.03745	70.5
135.04546	16.6
137.02448	15.4
137.03514	0.6
139.04013	13.3
143.03409	0.5
150.03238	1.1
155.03505	10.2
160.32483	0.5
162.03180	2.0
173.04546	100.0
174.04903	1.3
177.01930	22.4
178.02711	78.7
179.03488	16.0
191.05573	1.1
213.09302	0.7
218.84439	0.5
231.10287	6.9
247.09816	0.7
275.09253	30.5
276.09576	1.3
279.97037	0.5
307.11850	52.8
308.12164	2.0
449.14481	3.8
474.17630	0.5
481.17142	38.8
482.17435	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94373	0.2
54.91655	0.2
55.68191	0.2
59.01368	0.7
59.79728	0.2
61.98830	0.3
71.01389	0.6
75.88126	0.2
81.03458	0.7
83.05033	1.2
85.02937	0.4
87.00881	0.4
93.03461	3.6
95.05005	0.2
97.06585	5.9
105.03465	0.7
106.04243	0.7
109.02935	0.2
111.00893	0.2
111.04512	3.3
121.02975	0.3
127.04016	0.4
129.01981	0.5
133.02960	4.8
134.03738	100.0
135.04573	7.9
137.02434	2.0
139.03995	0.4
139.41916	0.2
155.03514	3.6
173.04552	8.7
173.06056	0.5
177.01952	5.5
178.02707	18.6
179.03421	2.0
187.07671	0.3
191.05646	0.6
231.10257	3.4
275.09235	4.8
307.11838	97.7
308.12155	6.0
361.77094	0.2
449.14584	0.2
481.17117	7.1
482.17328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
60.99298	1.2
67.01880	7.8
70.51233	2.2
70.51564	1.0
71.01380	3.9
81.03445	2.1
83.05010	1.8
87.00868	4.9
90.22591	1.1
93.03452	47.6
97.06567	2.0
109.02962	1.3
111.00871	2.0
111.04528	11.5
121.03004	2.3
133.02940	14.8
134.03738	57.6
135.04596	8.5
137.02451	14.9
139.03993	3.2
150.03233	1.4
155.03503	9.0
162.03160	1.8
173.04536	100.0
174.04893	1.7
177.01921	23.0
178.02702	79.0
179.03372	7.3
194.96507	1.0
231.10223	4.5
231.98196	1.1
275.09235	30.5
307.11835	40.2
308.12341	2.4
385.62381	1.1
402.69705	1.3
424.13702	1.2
449.14581	3.2
481.17099	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.01712	0.5
61.98801	1.0
69.03458	0.7
70.40990	1.6
71.01366	2.1
73.02920	0.9
81.03445	1.2
83.05034	3.0
85.02936	2.1
87.00874	1.1
89.02412	0.9
93.03450	4.6
101.02430	1.0
111.04523	3.8
113.02411	1.2
127.04046	0.7
127.11260	0.5
127.51465	0.5
128.05893	0.6
129.01910	0.9
134.03691	1.0
135.04596	0.5
135.13344	0.6
137.02403	1.2
145.02960	0.5
146.03717	2.2
147.04451	0.6
148.05278	0.9
155.03477	4.7
155.10831	0.5
158.03728	6.6
159.04517	9.5
160.05281	0.6
165.12889	0.6
172.05286	2.2
173.04530	18.7
173.06044	6.5
174.04892	0.7
174.06775	2.8
175.07610	2.6
180.08853	0.6
184.65019	0.6
187.04106	3.6
187.07626	34.4
188.08116	1.6
191.05605	17.0
192.06030	0.9
200.04852	0.7
201.05554	2.2
201.09354	0.7
201.11293	12.6
202.06310	8.2
203.10767	7.6
209.11807	23.6
213.09177	5.1
215.07103	1.4
216.07784	1.2
227.12923	4.8
231.06598	1.3
231.10242	30.0
232.10594	1.5
253.09264	7.1
257.08136	0.8
275.09225	100.0
276.09531	4.8
289.10822	0.9
307.11758	4.7
413.72476	0.5
437.20340	0.6
449.14505	28.5
450.14911	2.3
481.17053	8.0
481.26474	1.9
482.17313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
57.88331	1.1
59.01375	14.9
60.99308	1.9
61.98827	7.8
65.00314	1.3
67.01885	4.9
69.03456	1.8
71.01374	8.3
72.99303	1.7
73.02937	1.8
75.00860	4.3
77.16097	0.9
81.03452	1.7
83.05032	1.6
85.02950	14.8
87.00866	9.8
89.02425	2.7
93.03457	40.5
94.03860	1.1
95.01396	3.3
96.96002	1.2
98.20650	3.5
99.00883	4.3
101.02443	1.3
103.00391	1.2
103.91595	1.2
107.01377	1.4
111.04514	6.3
113.02444	22.8
115.00407	1.3
117.01960	1.4
117.03465	4.0
119.45246	1.1
129.01906	1.8
133.02957	2.9
134.03749	2.5
135.04512	3.4
137.02425	1.5
143.08667	1.9
149.02354	1.5
155.03481	3.2
159.04556	1.8
163.04015	1.2
172.05122	1.2
173.04538	34.8
173.06024	2.4
174.04819	1.3
175.02477	12.4
177.01923	2.0
178.02708	1.2
179.03519	1.7
183.04533	1.8
185.11826	1.1
187.07628	4.9
191.05594	26.1
200.13809	1.1
201.09131	1.6
202.06293	3.4
203.03477	1.2
203.10829	1.5
213.09068	1.2
215.07022	1.6
225.05531	1.6
231.10210	4.6
257.08139	2.5
263.12827	2.9
269.04526	100.0
270.04868	4.4
275.09274	4.8
307.11761	6.6
327.08444	1.5
359.11301	2.4
397.13385	1.0
445.07690	15.3
446.08163	2.6
449.14575	14.3
450.14600	1.4
481.16943	16.1
481.22189	1.5
481.27277	1.4
482.17838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03365	3.4
57.03445	7.9
58.00594	5.3
59.01379	66.2
61.98832	22.4
62.62853	3.9
69.07208	4.2
71.01393	21.9
71.54966	6.5
72.07755	3.8
72.99310	3.9
73.02946	13.4
75.00869	12.2
81.37460	3.3
83.01382	9.5
85.02943	11.4
87.00903	4.7
89.02431	9.6
93.26305	3.4
95.01382	8.4
96.52398	3.2
101.02464	9.7
107.01395	4.8
108.02178	4.8
109.06591	8.5
113.02431	4.9
119.03522	3.9
123.00935	4.5
124.01656	10.7
125.02466	33.3
131.67589	3.9
137.02454	5.9
139.07591	5.1
151.00366	31.5
152.01129	16.5
153.01904	4.6
155.10768	5.5
161.04547	8.3
163.11324	5.1
171.10283	34.1
173.04514	7.0
178.99829	16.6
179.10844	3.8
181.12340	10.7
191.05595	9.9
194.47188	3.8
197.11751	8.9
198.14012	3.3
199.09851	3.8
201.11278	46.2
207.10284	38.8
215.12904	5.9
225.11311	72.6
226.11736	4.3
230.05821	14.5
245.08102	7.3
253.09230	35.4
262.05286	4.7
273.07764	3.6
274.04816	10.6
287.09238	9.0
288.30243	3.8
289.07147	100.0
313.07050	20.5
317.06613	40.4
317.10239	10.3
331.08209	4.6
451.12375	32.1
461.20337	12.5
479.11627	9.5
479.25742	47.8
480.25183	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	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38382	0.8
57.03442	1.6
59.01371	1.3
65.27504	0.8
69.24817	7.2
69.25133	1.2
71.01376	1.3
78.95901	11.6
80.01247	0.7
99.08123	2.9
110.98525	8.4
113.09702	2.6
125.09756	0.8
129.09232	4.9
139.11328	1.2
151.11220	1.1
153.12898	1.0
167.01152	4.5
167.14317	1.2
169.12279	1.8
171.10258	4.8
181.12305	5.0
183.13835	2.5
185.02170	8.0
193.12350	1.4
197.11827	9.7
199.13382	5.1
201.11313	1.3
207.10078	1.4
211.13380	15.8
225.11301	1.7
275.20035	1.4
293.21191	13.0
294.21555	0.9
311.22250	100.0
312.22681	4.5
479.24124	54.1
480.24512	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
58.01356	1.2
58.95860	1.3
59.01376	37.5
61.26950	1.4
61.98830	1.7
71.01379	7.0
71.05013	2.4
73.02956	3.3
75.00868	5.1
84.83581	1.2
85.02965	4.7
87.00867	1.4
89.02425	6.1
92.94964	1.2
93.03474	1.9
95.01369	1.4
97.02982	2.6
97.06569	1.5
98.20763	2.3
99.00877	14.5
101.02436	6.6
107.02916	1.2
108.02174	2.9
112.43029	1.2
112.53538	1.2
113.02463	4.4
113.60511	1.3
123.04520	1.8
125.09727	6.0
131.03542	1.2
151.00594	1.3
152.01128	3.6
153.01959	1.4
157.77675	1.2
163.11304	6.9
167.03517	7.8
171.10236	5.9
173.04509	2.0
181.12352	13.1
191.05606	3.4
197.11819	3.6
198.11987	1.4
199.13451	14.8
200.34242	1.3
207.10231	26.0
225.11305	44.9
225.13596	2.2
226.11739	1.4
243.12328	29.7
247.15541	1.5
253.09264	5.0
287.15167	1.6
297.06094	1.6
305.16016	3.7
311.07617	2.8
327.05219	3.5
417.08157	3.5
443.27643	6.6
461.20654	1.3
479.11111	3.2
479.20276	100.0
479.26541	13.5
480.20679	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59126	1.3
57.03442	2.4
57.49357	1.4
58.00591	1.5
58.20975	1.2
59.01374	13.3
63.70629	1.2
69.03439	2.0
70.45998	3.1
70.46317	1.4
71.01383	28.4
73.02945	5.3
78.95901	34.6
83.05019	2.6
85.02938	3.1
89.02438	5.0
95.05026	1.5
96.95982	1.9
97.02941	7.2
99.00884	4.6
99.08147	3.3
101.02434	7.1
109.06572	13.7
110.98525	23.6
113.02422	3.5
113.09708	2.0
121.06647	1.5
121.10166	1.3
125.09721	5.7
127.11285	3.2
127.31940	1.3
135.08173	1.9
139.07578	2.4
139.11287	7.1
153.12891	1.2
155.10754	2.3
161.04495	2.5
163.11308	10.1
167.01157	25.8
167.10733	1.7
169.12344	1.8
171.10275	28.4
181.12305	9.8
185.02228	6.7
185.11844	3.3
193.12259	6.5
195.13812	1.3
197.11847	6.7
197.13345	1.2
199.13406	8.2
199.15027	1.3
201.11281	17.9
207.10239	34.6
207.77071	1.4
208.10446	1.5
209.11690	1.9
211.13388	9.1
215.12833	3.0
225.11310	38.9
226.11630	2.4
243.12276	7.0
253.09302	12.4
275.20258	2.0
293.21194	21.4
311.22256	93.9
312.22687	4.0
319.50174	1.4
461.20184	6.7
479.24384	100.0
480.24911	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	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
56.24762	0.7
57.03439	0.7
59.01384	8.0
61.98819	1.9
63.21239	0.6
64.06306	0.7
69.03439	0.7
69.51476	2.9
69.51885	1.9
71.01398	4.9
71.05006	1.6
73.02931	1.2
83.01361	0.9
85.02915	1.6
89.02422	2.7
93.03448	0.8
97.02927	3.1
97.06554	0.8
99.00894	8.4
101.02437	5.2
113.02425	2.2
119.03484	0.9
125.02394	0.8
125.09743	4.1
136.07675	1.0
142.02722	0.8
163.11325	4.7
171.10257	1.7
173.04465	0.9
181.12346	11.6
191.05548	3.1
197.11726	0.8
199.13396	26.3
207.08385	1.5
207.10258	24.2
208.10542	0.9
213.05679	0.7
225.11333	48.5
226.11621	1.3
229.08702	1.4
243.12370	18.1
253.09186	2.8
317.15881	1.0
401.25754	0.8
443.26901	1.7
461.20203	8.3
479.21054	100.0
480.21649	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	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81719	0.6
59.01384	7.8
69.03419	0.6
69.47272	1.1
69.47684	2.4
71.01392	2.8
71.05014	1.8
73.02898	0.7
73.82485	0.4
75.00891	0.9
77.49341	0.5
83.05006	0.6
85.02956	0.7
89.02407	1.2
95.53610	0.5
97.02959	3.3
97.06587	1.3
98.20599	1.1
99.00279	1.0
99.00883	15.6
101.02421	2.5
102.55177	0.5
109.06561	0.8
110.03712	0.8
123.08174	0.6
125.09717	5.5
141.10411	0.5
142.02661	0.6
148.68895	0.5
155.14417	0.9
161.04597	0.6
163.10072	0.7
163.11307	7.9
179.10771	0.6
181.12349	16.7
191.05473	0.7
195.13544	0.5
196.65500	0.6
199.13396	13.8
207.10268	27.3
208.10632	1.0
225.11327	46.2
226.11528	1.8
243.12375	31.6
244.12691	1.0
253.09129	1.5
297.03958	0.5
311.08298	0.6
317.15991	0.6
417.08197	0.7
443.27637	1.5
461.20251	0.9
479.21191	100.0
480.21606	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	479.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02664	0.6
55.46507	0.6
57.03437	0.7
59.01380	8.0
69.63589	4.0
71.01383	4.6
71.03381	0.6
71.04996	1.6
73.02931	1.8
85.02969	1.5
87.00862	0.8
89.02437	3.5
97.02940	3.3
97.06554	1.3
98.19990	1.4
99.00872	13.8
101.02442	3.5
109.06607	1.0
110.03699	0.7
113.02435	1.9
125.02438	0.8
125.09718	4.3
127.11268	0.7
155.58043	0.7
161.04451	1.4
163.11264	6.3
171.10217	2.3
173.04517	0.9
181.10849	0.9
181.12331	15.7
182.12646	0.7
191.05690	1.6
199.13379	10.1
201.11215	1.0
207.10240	24.0
207.12198	1.5
208.10582	1.3
225.11305	38.6
226.11600	1.6
243.12350	24.5
253.09227	2.5
266.60748	0.8
285.03998	2.7
461.19382	1.0
479.21255	100.0
480.21667	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	478.2943
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
59.01386	0.6
69.27788	4.8
78.95901	100.0
83.21233	0.4
89.56405	0.6
96.96966	8.2
100.51909	0.5
109.07383	0.4
112.24979	0.5
152.99570	19.4
161.62419	0.5
171.00633	21.8
196.68665	0.6
255.46468	0.5
281.24936	3.8
321.91000	0.6
404.25604	2.2
478.29376	70.5
479.29794	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	479.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61419	1.6
58.76740	1.4
59.01382	100.0
60.01699	1.5
60.15520	1.5
61.98834	12.9
69.38118	2.9
69.38524	9.4
71.01382	40.5
72.99323	2.8
73.02947	31.7
75.00875	10.1
82.95430	3.2
83.01382	5.2
85.02965	8.1
87.00854	2.7
89.02446	35.0
90.23279	1.4
93.03474	3.3
95.01374	2.3
97.03027	1.5
99.00881	59.5
101.02444	23.7
110.90257	1.3
113.02451	19.9
119.03506	7.3
125.02453	3.3
131.03500	6.5
143.03506	3.2
149.04556	19.6
155.03464	2.6
161.04555	8.0
171.10260	5.1
173.04561	5.1
179.05675	1.6
185.29581	1.4
191.05627	28.5
199.13400	7.4
203.05621	9.1
225.11362	4.8
233.06686	2.7
243.12389	2.4
254.77077	1.5
261.13602	1.5
305.16174	1.5
375.16049	1.7
375.20346	1.8
393.17697	19.1
435.18552	51.4
436.18719	3.3
479.20068	11.2
479.25778	4.2
479.31451	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	477.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81621	0.9
51.70494	0.8
58.61702	0.7
59.01370	0.9
60.04901	0.7
71.55565	1.1
72.95253	0.8
83.05027	1.3
89.96286	0.9
120.41406	0.8
137.09718	9.6
152.99573	0.8
155.10783	100.0
156.11113	3.1
171.10252	16.1
178.00960	1.0
181.08714	2.7
199.09755	49.1
217.10799	75.9
218.11122	2.7
277.21722	30.6
278.21967	1.2
449.45996	0.8
477.32205	31.0
478.32523	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62501	0.2
53.81406	0.2
56.36030	0.2
59.01377	2.8
59.38363	0.2
60.01693	0.3
60.99292	0.3
61.98826	100.0
70.41055	0.9
71.01373	1.5
72.76496	0.2
73.02941	0.3
75.00866	0.3
85.02943	0.4
88.98803	1.8
89.02425	1.2
90.02736	0.4
90.50936	0.2
99.00797	0.3
100.81688	0.2
101.02447	0.3
113.02450	0.6
149.04588	0.5
151.05045	0.3
171.10316	1.4
173.04494	0.4
191.05630	0.9
201.11365	0.3
207.10255	0.3
223.09755	0.2
225.11372	1.0
242.14864	0.4
253.09209	0.5
263.16995	0.2
478.23221	0.2
479.25165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03440	3.1
59.01368	5.0
69.03457	1.5
69.64117	2.8
69.64527	3.6
71.01377	2.2
71.05002	1.4
78.95897	21.3
80.02679	2.1
81.03440	4.8
83.01388	11.1
83.05013	6.0
84.17651	1.1
95.05004	2.1
97.06581	3.6
98.03710	1.5
99.36774	1.2
109.06535	2.1
110.98524	20.3
111.08147	1.1
123.04525	3.4
123.08157	3.7
125.09714	12.9
127.11334	1.4
127.48029	1.0
135.08113	1.3
137.09767	1.8
139.11270	7.4
142.02708	1.2
147.11810	1.3
151.11310	6.5
152.36261	1.3
152.99573	1.2
155.10754	1.3
163.11285	8.4
164.83601	2.5
165.09189	1.6
165.12834	20.8
167.01123	8.9
167.10806	7.9
167.12036	1.6
167.14319	1.4
171.10254	1.4
176.83099	1.2
179.10782	2.6
179.14452	1.2
181.12315	8.7
185.02196	17.2
191.10802	7.1
193.12267	1.1
193.15964	5.3
207.10277	2.4
209.11810	100.0
210.12141	3.4
211.13477	2.1
225.11240	1.5
247.20659	13.5
263.20035	1.6
265.21725	4.2
273.18576	3.4
281.21182	2.3
291.19644	82.1
292.20010	4.0
309.20685	94.6
310.21048	4.3
332.67542	1.1
477.22559	75.7
478.23004	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	477.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90460	0.9
59.01381	7.6
61.98832	1.4
62.59505	0.9
69.46234	5.5
70.36729	1.0
71.01389	1.1
77.11477	0.8
78.95906	4.9
89.02377	0.9
96.96944	2.8
109.43485	0.9
118.71574	0.9
148.04758	0.9
162.74330	0.8
169.08493	0.8
169.76054	0.9
181.12343	6.6
183.13911	4.4
185.02043	0.9
196.52507	0.9
203.10515	3.8
211.13335	1.9
212.52376	0.9
217.08492	1.8
219.10037	3.1
221.11533	2.1
223.13173	25.4
233.08008	1.2
235.09467	4.6
237.11079	14.0
249.11060	100.0
250.11359	2.8
267.12360	14.0
291.19504	3.1
309.20627	1.0
389.25406	1.8
390.64026	0.9
415.23300	3.8
459.22433	9.0
460.22531	1.3
477.23434	26.1
478.23373	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21923	0.3
54.93877	0.4
55.01870	0.8
57.03448	0.7
59.01378	10.9
61.98837	1.5
69.03455	2.9
70.76753	1.0
71.01373	6.1
71.05025	1.3
73.02948	1.4
73.04972	0.3
75.00879	0.4
80.47594	0.3
83.01371	1.1
85.02956	2.1
87.00878	1.4
89.02436	5.0
95.01407	0.4
97.02945	0.6
97.06573	0.7
98.19913	0.5
101.02426	5.6
111.04541	0.4
113.02441	3.7
119.03500	1.1
123.00970	0.7
123.08163	1.0
125.02460	1.9
125.09718	1.6
131.37042	0.4
143.03470	0.4
149.09789	0.5
151.11252	2.1
153.12830	1.6
161.04555	2.3
161.09708	2.8
168.00633	2.0
179.05646	0.4
179.10759	6.4
197.11812	75.7
198.12141	2.4
211.13394	1.3
223.09792	1.2
241.10808	6.9
241.14500	1.2
253.09312	4.2
255.02805	0.5
257.04645	0.5
285.16907	0.6
301.03641	0.7
303.21835	0.6
315.14542	0.6
331.06662	4.4
459.18860	0.5
477.19705	100.0
478.20059	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95780	0.7
59.01382	86.2
61.98835	4.4
67.01881	0.9
69.64050	2.3
69.64439	1.8
70.66728	0.8
71.01382	15.1
73.02952	5.2
75.00850	1.1
83.01376	1.1
85.02962	5.0
88.98816	2.1
89.02438	5.3
93.03466	1.4
94.57421	0.8
95.01382	1.2
96.96016	19.1
97.02905	1.0
99.00896	1.9
101.02454	8.5
113.02448	6.0
115.04005	0.9
119.03477	2.0
121.02949	9.9
125.02449	1.8
133.05066	3.8
135.04489	1.2
136.13202	0.8
143.03502	1.5
149.12659	0.8
157.05136	0.8
159.02925	1.0
161.04558	17.1
165.09167	0.8
166.06354	76.4
167.06694	2.3
173.04547	3.3
177.14813	0.8
179.10658	0.8
181.08708	100.0
181.50258	1.0
182.08995	3.1
187.07640	1.6
187.40114	0.8
191.05708	2.0
195.10382	0.8
197.11745	0.8
205.08635	2.9
213.11307	0.9
219.94272	1.0
223.09721	4.1
233.06476	1.0
235.08241	14.9
241.10660	1.7
253.09164	2.6
352.71783	0.8
417.17538	11.5
418.17804	1.3
459.18692	2.2
477.19632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Eremopetasitenin D2
Peak:m/z	Relative Intensity
55.01875	0.7
57.03444	0.9
58.96461	0.3
59.01381	6.1
61.98832	0.5
69.03463	2.6
69.49617	0.6
69.50018	1.6
71.01383	4.7
71.05028	2.2
73.02947	1.2
75.00873	0.5
80.39230	0.3
83.01405	0.5
83.05042	0.6
84.55428	0.3
85.02961	1.3
87.00921	0.8
87.38071	0.3
89.02444	2.8
101.02437	4.0
113.02447	2.1
119.03482	1.1
123.08141	0.8
125.09711	1.7
132.82158	0.3
143.03500	0.3
151.00432	0.5
151.11333	1.6
153.12843	2.5
161.04594	1.0
161.09746	2.5
173.04474	0.9
178.99901	0.4
179.10760	6.1
185.61420	0.3
191.05624	0.6
197.11826	90.6
198.12183	3.5
223.09743	2.0
241.10825	10.3
242.11119	0.5
244.22253	0.3
253.09328	2.4
273.04092	0.5
301.03409	0.5
303.21777	1.9
422.30243	0.4
433.20938	0.8
459.18643	0.6
477.19739	100.0
478.20105	6.7
478.26965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.53068	0.3
52.83769	0.4
62.96387	0.3
69.23867	2.5
78.95901	100.0
96.96965	7.7
103.16422	0.4
126.74925	0.3
140.01248	0.6
152.99580	18.6
171.00627	19.0
184.91295	0.3
214.04846	0.4
224.66779	0.4
262.26840	0.3
279.23236	4.3
379.30844	0.4
402.24301	1.5
476.27792	63.0
477.28027	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Dihydrokaempferide 3-glucuronide
Peak:m/z	Relative Intensity
51.21392	0.4
53.38596	0.5
55.01875	0.8
57.03452	2.9
57.13417	0.5
59.01381	28.3
60.01700	1.3
61.01798	0.7
61.98827	3.6
63.02407	2.5
65.00324	8.1
67.01901	0.6
68.99827	0.9
69.22843	1.2
69.23244	3.2
71.01385	13.2
72.99298	2.8
73.02972	2.5
75.00873	10.3
81.03434	0.5
83.01389	7.1
84.02172	0.6
85.02952	23.9
87.00883	2.8
89.02456	3.7
93.03461	1.4
95.01387	7.7
96.95998	1.2
99.00879	8.7
101.02485	2.4
103.00384	4.4
107.01388	15.3
108.02197	4.3
111.00888	0.7
111.04529	0.5
113.02452	48.7
114.02785	0.9
115.00359	1.7
117.01940	2.7
119.03514	1.0
123.00939	0.6
123.04528	2.6
123.05279	0.4
124.01636	0.6
125.02435	2.2
127.11295	0.4
129.01945	1.6
134.03746	19.3
135.04495	1.8
136.01683	2.5
139.00406	0.7
143.03476	0.5
149.06082	16.3
149.99556	0.6
151.00372	53.4
152.00745	1.4
157.01381	1.1
161.04512	0.9
164.01154	6.7
165.01981	2.4
168.00697	0.6
169.01422	1.5
173.04520	3.9
174.03207	1.7
175.02480	16.8
177.01945	3.8
191.05623	2.2
195.13034	0.4
196.00102	3.7
199.04042	1.4
201.01891	1.2
215.03397	0.8
215.07057	0.7
242.05887	1.2
257.08163	1.8
258.05249	0.6
285.03918	1.1
286.04910	2.3
287.05701	1.0
301.07166	100.0
302.07541	5.9
303.21759	8.0
304.22369	0.6
331.06686	0.5
343.08124	0.5
367.08337	0.7
399.22885	0.6
416.23477	0.7
417.24490	2.0
434.25055	0.7
435.25174	1.8
446.61417	0.6
477.10294	7.6
477.25903	1.6
477.30789	4.0
478.19781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40534	0.8
52.11222	0.8
55.01872	1.3
56.82141	0.9
57.03430	1.9
59.01379	37.4
59.01684	1.7
61.98542	1.1
61.98828	15.7
63.34853	0.8
64.82891	0.8
69.20674	9.7
71.01383	19.3
71.05017	1.2
72.99293	5.1
73.02920	2.8
75.00871	24.2
85.02953	14.6
87.00880	5.4
87.04507	2.5
89.02448	6.4
93.03436	3.1
95.01358	2.5
96.96011	1.6
99.00871	6.9
101.02445	4.3
103.00374	1.6
111.00877	1.6
111.04498	1.5
111.08159	0.9
113.02447	18.4
115.00348	1.8
117.01966	1.1
129.01967	1.9
135.04486	1.3
149.73018	1.0
155.03474	1.7
157.01399	0.9
161.04591	1.5
165.12828	5.5
166.05141	1.2
167.14378	4.2
173.04573	5.4
175.02419	2.0
183.13893	68.3
184.14182	1.8
191.05591	4.6
209.11774	2.4
211.13385	7.2
227.12823	3.9
229.14470	8.5
249.06038	3.5
267.07202	3.3
272.10327	1.1
301.16528	5.4
303.18103	8.3
381.67654	0.9
415.19687	5.4
417.24750	3.6
433.20328	1.1
459.18515	2.2
477.19656	100.0
477.30167	16.6
478.20111	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	475.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.77815	0.3
57.03443	2.0
58.00598	1.1
59.01380	100.0
60.01704	0.8
61.98830	0.8
68.59427	0.4
69.03458	0.4
69.27500	0.7
69.27896	3.0
71.01385	25.0
71.05019	1.0
71.24724	0.3
72.01752	0.5
72.99294	1.6
73.02946	10.1
75.00877	1.5
81.03480	1.2
83.01385	3.6
83.05045	0.4
85.02954	7.9
86.03303	0.4
87.00883	3.1
87.04518	1.1
89.02446	17.8
93.03464	1.1
95.01376	2.1
96.01687	0.4
97.02971	1.2
98.19881	0.4
99.00887	2.5
99.04527	1.4
100.01160	0.3
101.02443	16.5
101.06084	1.9
113.02451	15.6
114.02790	0.8
115.04002	0.5
119.03502	8.4
123.08152	0.4
125.02442	2.4
129.01945	0.4
131.03484	1.7
143.03525	4.2
147.11804	0.7
149.04584	0.8
161.04581	6.1
173.04582	2.4
175.02419	0.4
179.05600	5.3
179.10864	0.9
180.11134	0.8
191.05655	1.1
195.13924	0.6
221.11899	2.1
239.12842	0.8
249.06253	1.1
250.06454	0.9
251.06641	1.2
253.09398	0.5
253.18065	0.7
269.07791	0.8
271.09833	0.9
271.19116	2.7
284.03348	0.6
299.05603	0.8
301.11871	0.4
315.18073	1.9
325.16553	0.4
327.18262	1.1
341.19785	0.4
343.17657	0.5
374.85211	0.4
397.22250	0.9
415.23431	14.0
416.23868	1.0
431.18204	3.9
433.24457	7.5
433.29907	0.6
475.17447	6.4
475.25311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
59.01372	5.9
61.98817	5.5
69.73817	9.0
71.01374	5.4
78.95916	2.7
83.05021	5.5
95.05002	3.0
96.96020	2.8
97.06601	10.4
109.06557	2.6
110.98514	3.8
111.08150	11.7
119.91759	1.6
121.02974	2.2
145.15446	1.4
147.11842	1.9
163.11279	4.8
164.83635	2.3
165.12843	100.0
166.13202	3.9
171.85706	1.8
185.02188	5.6
197.15471	76.0
198.15758	3.3
209.11812	9.9
241.14449	54.8
306.58051	1.8
307.19098	5.8
414.66629	2.0
439.23132	2.8
475.21075	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	475.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90903	3.9
51.86131	4.1
51.98238	3.9
59.01382	17.8
61.98814	4.7
70.81220	3.9
70.85522	4.5
71.01379	6.7
78.95908	18.3
96.95969	4.6
101.02442	9.6
120.96947	6.5
152.99603	6.2
181.07188	35.9
182.89088	4.3
190.10136	4.2
195.00645	4.7
277.21756	12.1
279.20395	8.1
279.23282	100.0
280.23621	6.3
317.58722	4.7
322.00366	4.5
389.06842	5.4
434.81192	4.5
474.98911	4.6
475.24438	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03439	0.7
58.00589	0.8
59.01377	100.0
60.01704	1.9
61.01804	0.7
61.98835	0.9
69.03449	0.7
69.21782	2.6
71.01378	19.2
72.01761	0.3
72.99309	1.1
73.02940	7.7
73.10300	0.3
75.00881	1.3
77.27929	0.3
81.03439	0.6
83.01387	2.6
83.05011	0.3
85.02942	5.7
87.00858	2.0
87.04538	1.0
89.02438	15.6
93.03473	0.6
95.01374	1.7
97.02969	0.6
99.00885	1.2
101.02438	14.2
101.06092	0.9
101.62215	0.3
106.03236	0.3
111.00868	0.3
113.02444	11.0
114.02837	0.4
114.05632	0.3
119.03497	7.0
119.05009	0.3
120.79311	0.3
125.02477	1.0
131.03525	1.3
138.68433	0.3
143.03468	2.7
149.04576	1.3
155.03491	0.3
159.03062	0.4
161.04535	4.1
173.04526	1.6
175.02502	0.4
179.05598	5.2
179.10809	0.8
180.11116	0.4
181.12495	0.5
191.05539	1.4
212.08388	0.3
221.11835	2.3
239.07278	0.6
239.12701	1.4
243.06596	0.4
249.06184	0.5
251.06609	0.6
253.05289	0.4
256.07504	0.5
271.09711	5.8
271.12598	0.3
271.19193	0.9
284.03293	0.6
299.02307	0.3
299.05716	0.7
326.50577	0.4
327.18164	0.6
355.21460	0.7
379.21396	0.7
397.22266	0.7
413.17685	0.3
415.23346	4.8
431.18427	0.8
433.24396	2.4
448.62027	0.3
475.17056	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28563	0.5
53.68941	0.4
55.01879	1.4
56.41482	0.5
57.03455	1.7
58.00615	1.4
59.01382	100.0
60.01727	0.6
63.02401	0.9
65.00337	1.8
69.03450	0.6
69.39423	3.3
69.94071	0.4
71.01385	31.6
71.05045	0.8
72.01723	0.5
72.99319	1.7
73.02954	5.6
75.00878	0.6
76.05626	0.5
81.03486	0.6
83.01392	3.2
84.29757	0.4
85.02954	8.9
87.00879	2.9
87.04511	2.2
89.02450	29.4
92.40824	0.5
93.03476	1.4
95.01404	2.8
97.02965	0.8
99.00333	0.4
99.00878	2.5
99.04577	0.5
101.02452	20.9
101.06076	2.4
107.01402	3.1
111.00877	0.7
113.02454	20.3
119.03514	15.3
119.04999	6.1
125.02468	1.3
131.03540	1.5
133.03056	0.4
137.09665	0.5
143.03516	4.0
147.11847	0.9
149.02435	0.5
149.04599	1.3
151.00386	9.5
151.19388	0.4
159.02948	0.6
161.04555	8.1
165.01964	0.7
166.54788	0.4
168.00998	0.4
173.04572	0.9
175.00349	0.5
177.01976	0.8
178.04912	0.7
179.05612	10.6
211.04089	0.5
221.11870	1.8
239.03545	0.5
239.12982	1.0
240.04330	0.7
242.04840	0.5
268.03760	9.0
269.04178	8.8
270.04379	11.1
271.06174	18.8
271.19278	1.5
272.06653	1.2
284.03290	5.5
285.03992	4.4
299.05511	2.3
313.07080	0.5
315.18362	1.3
343.17563	0.7
355.21368	1.9
367.21472	0.7
377.88550	0.5
397.22543	1.4
415.23401	10.5
416.23743	0.9
433.24368	8.9
434.24545	0.5
475.11652	20.4
476.11844	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	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85468	0.7
57.03459	0.9
57.42761	0.7
59.01382	100.0
61.98833	0.9
71.01377	12.5
71.55392	0.8
72.54893	0.8
73.02954	5.1
83.01394	1.4
83.05051	0.9
85.02946	5.1
89.02444	6.8
93.03471	1.8
95.01402	1.5
99.00869	1.1
99.67169	0.8
101.02457	7.9
113.02456	6.6
119.03502	1.8
119.05026	1.0
125.02406	0.7
143.03542	0.8
149.04570	1.1
151.97485	0.8
161.04602	2.6
161.19542	0.7
173.04573	3.0
179.05647	1.6
191.05704	2.5
221.11911	1.4
250.53557	0.8
253.69281	0.7
271.06287	1.2
371.20743	2.2
389.21671	5.7
415.23611	2.2
431.18143	0.8
431.23175	4.7
432.23621	1.4
475.16748	1.8
475.22501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59023	0.5
58.00586	0.6
59.01381	21.1
59.40671	0.4
61.98844	0.6
63.86511	0.3
69.95181	1.7
71.01385	7.0
72.48437	0.4
72.99300	0.4
73.02950	1.5
81.03460	0.6
83.01389	0.9
83.05038	0.5
85.02950	2.4
87.00908	1.0
89.02451	5.9
89.97192	0.3
93.03459	0.7
95.01417	0.4
97.06566	0.7
98.84310	0.3
99.00838	0.5
101.02439	5.8
106.04227	0.5
113.02453	3.8
119.03507	1.6
121.10207	0.5
143.03572	0.5
159.11833	0.9
161.03381	0.3
161.04558	2.1
165.12773	0.3
173.04501	0.4
175.11253	0.4
177.12843	8.8
179.05612	0.5
181.44420	0.4
185.90437	0.4
191.05629	0.4
195.13899	100.0
196.14264	4.1
203.10823	0.8
221.11821	2.7
235.08240	0.9
239.10445	0.7
239.12872	11.3
253.09296	7.8
284.03287	0.8
299.05637	2.1
301.20319	0.4
313.16757	0.6
324.83206	0.4
457.20923	0.5
475.21817	96.1
476.22205	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.02079	0.4
57.03437	0.6
59.01376	17.0
60.01712	0.4
60.08501	0.4
61.98833	2.3
65.96812	0.4
69.86015	1.9
71.01381	6.6
72.99280	0.4
73.02955	1.5
75.00873	0.6
82.78767	0.4
83.01393	0.6
85.02934	1.9
87.00889	0.8
89.02444	6.3
91.04046	0.6
93.03462	1.2
95.01376	0.8
97.06565	1.0
98.19855	0.5
99.00906	0.8
101.02441	6.7
106.04251	0.6
106.43109	0.4
113.02441	3.3
119.03484	1.5
121.10214	0.5
133.04974	0.5
135.04517	0.4
137.02513	0.4
143.03496	0.4
151.00246	0.4
159.11745	1.0
161.04532	1.6
167.02101	1.7
172.23323	0.4
173.04527	2.5
175.11264	0.6
177.12845	11.3
178.13210	0.8
179.05612	0.8
191.05627	1.2
195.13887	100.0
196.14209	4.3
203.10735	1.1
221.11870	2.9
235.08226	1.1
239.12865	11.0
253.09270	8.0
296.29071	0.4
317.40607	0.4
475.21793	100.0
476.22125	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
56.77805	0.8
57.03445	2.6
57.41949	0.8
58.00592	1.5
59.01378	71.8
60.01704	0.9
60.29395	0.8
61.98822	4.2
67.01880	1.9
68.99796	1.3
69.03448	1.7
69.69762	4.6
71.01381	39.3
72.99306	5.7
73.02930	5.8
75.00870	12.8
80.10200	0.9
81.03460	1.1
83.01373	2.4
83.05040	1.7
85.02457	1.4
85.02946	22.5
86.93468	0.8
87.00871	7.2
89.02441	23.1
93.03465	9.1
95.01398	4.4
95.05015	4.7
96.96008	3.9
97.02948	1.0
98.19931	0.9
99.00872	8.7
101.02434	11.2
107.04992	1.1
109.06581	2.2
111.04516	2.1
113.02442	28.1
115.00381	2.2
117.01935	1.4
119.03497	5.1
119.05015	1.0
121.06596	1.0
129.01927	1.9
131.03485	1.5
135.04520	1.6
142.99840	1.0
143.03485	1.7
149.04564	1.0
155.03423	1.6
161.04568	5.1
163.11276	9.6
171.10275	1.9
173.04544	27.6
174.04869	1.1
175.02415	2.6
177.12819	1.1
179.05603	5.4
181.12357	4.3
191.05583	5.9
195.13884	1.0
207.10182	1.8
221.11798	9.3
225.09222	1.4
225.11296	17.3
231.05034	1.7
239.12923	5.8
249.06140	13.3
250.14494	1.2
253.09224	2.1
253.14442	1.1
267.07190	36.8
271.06039	1.4
275.09189	1.1
284.03152	1.5
285.04059	1.2
299.01929	1.3
299.14972	5.2
301.20142	6.7
302.10010	1.0
415.23343	19.0
416.23700	1.3
433.24036	1.0
457.16977	1.6
475.18103	100.0
475.24707	5.0
476.18634	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	475.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.7
57.03448	6.2
59.01387	9.4
64.31990	1.3
71.01392	2.1
78.95905	27.3
81.03450	4.9
83.01395	11.8
83.05046	4.9
83.51332	1.2
95.05025	1.4
97.02947	2.6
97.06606	10.7
104.97522	1.6
109.06585	2.0
109.12250	1.2
110.98535	24.2
117.07417	1.2
119.08654	1.4
121.06583	3.2
123.04529	7.6
123.08169	4.2
125.06091	1.7
125.09710	17.2
135.08170	2.8
136.05150	1.3
137.09720	10.4
141.12889	1.4
142.02664	1.3
149.06114	2.4
149.09694	1.7
151.11270	2.2
161.09796	1.4
162.45448	1.2
163.07684	1.7
163.11316	17.3
165.09218	1.5
165.12804	5.0
167.01131	9.4
167.10786	2.9
171.10262	2.3
177.12756	1.6
181.12338	5.9
185.02229	20.2
185.11836	16.6
191.10780	4.8
191.14442	17.5
191.24060	1.6
197.11809	1.5
207.10226	10.8
209.11830	78.9
210.12180	4.4
211.13347	1.4
217.15999	2.1
225.11331	8.0
245.19104	36.5
246.19469	2.8
247.17064	1.5
249.67227	1.3
261.18655	1.4
263.20132	3.3
271.16995	3.8
279.19580	2.1
289.18091	100.0
290.18436	6.5
307.19138	77.6
308.19482	4.2
383.87009	1.5
466.38504	1.6
475.21051	80.5
476.21024	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61171	0.5
59.01378	13.1
59.51513	0.5
59.69964	0.5
60.99306	14.0
61.98828	1.7
62.17922	0.6
64.18239	0.5
65.88414	0.6
71.01369	3.7
71.55669	0.7
73.02941	1.4
83.01374	0.7
85.02956	1.4
87.00880	3.9
88.00389	1.8
88.01228	0.9
88.98802	100.0
89.02438	30.6
93.03458	1.3
96.96010	2.4
101.02443	1.9
113.02429	1.6
113.37892	0.6
114.05623	0.7
115.00383	1.0
119.49061	0.5
142.90276	0.5
161.04591	1.3
173.04558	1.8
179.03418	0.7
191.05641	1.6
202.12029	0.6
223.13199	0.5
244.70818	0.7
281.59161	0.8
283.06149	2.5
311.05753	3.2
343.13858	1.5
415.14969	0.9
415.23474	1.5
431.19476	0.8
475.08871	2.2
475.18176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76369	0.9
59.01381	87.9
60.01699	1.1
60.99306	14.4
61.98831	3.9
68.71272	1.0
71.01377	7.9
71.55548	1.1
72.99310	5.4
73.02952	2.0
75.00879	2.7
85.02953	2.5
87.00877	6.0
88.00429	2.8
88.04047	1.2
88.98808	100.0
89.02446	37.3
89.06686	1.0
93.03419	1.0
96.95998	2.2
97.34286	0.9
99.00890	2.9
101.02448	4.2
109.02993	0.8
113.02450	2.7
121.02946	4.2
131.03583	1.0
161.04543	4.7
173.04533	2.4
179.05687	1.4
181.05051	2.8
191.05611	2.2
196.07365	1.3
211.09750	3.3
215.19533	0.8
269.10077	1.0
311.52524	0.8
327.08606	1.3
415.23523	5.6
416.22751	1.6
437.19690	1.1
457.21100	1.1
475.18195	2.5
475.25891	3.0
476.24680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76439	0.4
59.01379	37.1
70.21820	1.6
71.01372	1.9
73.02941	0.7
84.52042	0.5
85.02975	0.7
89.02444	0.6
96.96004	0.7
101.02441	1.7
101.61545	0.4
113.02441	0.8
135.04535	1.0
145.02985	0.7
146.03734	33.8
147.04208	0.9
161.04628	1.2
161.06070	10.9
164.04781	22.7
172.92172	0.5
179.07126	100.0
180.07422	3.3
181.80281	0.5
220.14351	0.5
236.59889	0.4
283.90671	0.6
322.31561	0.5
396.05435	0.5
414.54422	0.6
415.15741	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.52318	0.7
56.41784	0.6
57.03430	2.4
59.01376	65.1
60.01700	1.1
61.98820	4.7
67.01885	1.2
68.99816	1.3
69.03463	1.1
70.88468	1.3
71.01379	28.6
72.99300	4.3
73.02932	4.8
75.00871	13.4
76.75759	0.6
80.02666	0.7
81.03458	1.4
83.01377	1.9
83.05046	0.9
84.02188	0.8
85.02947	23.8
87.00870	9.2
89.02438	14.1
89.02948	1.3
91.04011	1.4
93.03449	6.4
95.01382	5.1
95.05011	4.5
96.95998	3.9
97.06558	1.0
98.20522	0.7
99.00869	8.9
101.02438	10.2
103.00362	3.0
107.05037	0.8
107.08674	1.0
109.02972	1.1
109.06559	0.9
111.00854	2.0
111.04496	1.5
113.02442	27.8
115.00353	2.0
117.01933	1.8
119.03486	4.0
119.04872	1.5
121.06588	1.2
125.02431	0.9
129.01913	1.7
131.03462	0.7
135.04539	1.8
137.02415	1.1
143.03500	1.3
149.04559	0.6
155.03473	1.3
157.01375	1.4
161.04532	5.1
161.09775	0.9
163.03978	1.2
163.11296	8.8
173.04521	16.5
174.04922	1.0
175.02434	1.5
179.03394	1.1
179.05627	3.3
181.12350	4.6
187.03870	0.7
191.05634	4.1
207.05072	1.1
207.10258	2.1
221.11830	5.2
225.11287	16.2
231.05049	1.2
239.12891	3.6
249.03749	1.2
249.06140	13.5
267.07196	36.6
268.07483	1.3
271.06042	2.0
275.09067	1.1
284.03036	1.6
285.04053	1.3
299.02023	0.9
299.05481	0.8
299.14972	4.8
301.20102	4.3
302.10303	1.1
397.23932	0.7
415.23364	17.4
433.24500	1.1
457.17117	2.1
475.18097	100.0
475.24164	3.9
476.18454	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	475.1245
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
50.88122	0.2
57.03437	0.5
59.01379	6.4
61.98835	0.6
63.02400	1.8
63.99638	0.3
65.00320	5.9
70.37943	0.7
71.01369	2.4
72.99303	0.4
73.02940	0.5
75.00878	0.4
83.01376	4.1
85.02950	1.0
87.00879	0.5
89.02457	1.8
93.03452	6.8
95.01373	0.4
99.00874	0.5
101.02447	1.2
107.01387	11.3
108.02214	0.3
109.02832	0.3
113.02444	1.4
117.03435	0.4
119.03567	0.9
119.05023	33.0
120.05384	0.9
121.02954	0.8
125.02442	1.2
131.01411	0.3
136.01657	0.4
143.03586	0.3
145.03026	0.6
149.02359	0.3
151.00362	38.6
152.00693	0.8
158.47104	0.3
161.04614	0.4
164.01253	0.3
165.01981	1.6
169.01451	0.7
173.04544	0.5
175.00388	1.1
177.00511	0.5
177.01918	5.0
179.05655	0.5
181.12325	1.2
185.06062	0.3
187.03871	0.4
191.05777	0.3
193.01329	0.7
221.11836	0.7
225.11432	0.4
227.07129	0.6
239.12843	0.5
249.06216	0.5
252.70003	0.3
253.09329	0.3
269.04254	0.5
270.04361	0.3
271.06110	100.0
272.06448	5.3
278.04813	0.2
284.03326	1.0
285.04126	0.5
295.06107	0.4
313.07263	1.4
415.23505	0.5
474.97131	0.3
475.10995	0.9
475.18185	3.3
476.12131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.71904	1.0
71.01382	14.2
71.26884	1.0
72.99303	7.2
84.46217	1.1
89.02442	3.6
98.06844	1.2
115.00374	37.2
121.45292	1.1
132.02986	2.2
133.01428	100.0
134.01767	1.6
191.05701	1.1
341.10559	1.3
392.02765	1.2
415.14468	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	475.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
59.01367	2.8
60.36565	0.7
70.24383	0.7
71.01006	1.2
71.01378	16.9
72.99300	3.4
86.82253	0.7
87.00864	8.2
87.04512	4.4
89.02419	4.5
92.44356	0.7
100.55855	0.8
101.02417	1.4
115.00363	19.7
122.39243	0.8
132.02986	1.5
132.06635	1.3
133.01428	46.8
133.05063	100.0
134.05391	1.5
179.05609	1.2
185.04529	0.9
191.05641	0.9
197.99989	0.8
216.61499	0.8
282.78552	0.8
307.29828	0.8
341.10690	2.4
415.14563	5.5
420.18423	0.9
428.46503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03441	3.6
59.01381	81.7
61.98819	6.9
71.01386	55.3
71.56177	2.2
72.99312	2.2
73.02950	20.9
75.00867	2.1
80.91685	2.2
83.01411	10.4
85.02950	29.4
87.00871	7.2
88.98787	2.1
89.02448	10.5
89.73463	1.4
91.71206	1.5
93.03478	3.3
95.01381	5.3
96.96026	5.7
99.00877	10.2
101.02446	46.8
113.02453	30.2
119.03539	2.1
121.93307	1.9
125.02442	3.8
129.01939	2.5
138.01996	2.8
143.03452	2.5
145.02905	3.5
149.04536	3.0
159.02962	5.3
161.04565	28.2
173.04616	8.9
191.05580	4.6
221.11868	1.7
257.17651	1.9
271.02646	2.5
283.11865	100.0
284.12091	4.0
299.01981	5.3
415.16092	67.5
415.23370	6.5
416.16309	4.3
445.69800	1.6
461.19531	2.0
470.02863	1.6
475.21661	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	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01694	0.7
61.98835	1.3
65.47760	0.6
121.39345	0.7
133.34088	0.5
147.07117	0.5
164.33182	0.5
217.00327	1.2
271.32922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.7
71.01381	40.0
71.45475	1.9
71.56252	2.5
75.92408	1.7
78.95896	3.0
85.02955	3.3
89.02441	44.3
95.01379	2.2
101.02447	12.2
113.02438	9.7
119.03496	5.4
123.97336	2.1
140.86871	1.8
149.04556	2.6
161.04581	2.4
179.05615	12.9
190.02194	1.8
195.13832	4.9
213.24487	2.0
223.13425	6.7
275.20169	3.4
277.21753	7.7
293.21213	100.0
294.21680	3.6
326.28079	1.9
354.09943	2.4
367.08054	1.8
413.32584	2.9
417.26385	5.2
473.34402	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	474.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98816	0.6
71.01371	0.3
71.14848	0.5
73.94582	0.2
78.95905	1.7
79.95730	2.3
85.02943	0.2
96.96008	100.0
96.96995	3.2
98.02460	0.9
98.95596	0.5
119.04993	0.3
129.48102	0.2
163.03999	0.4
168.47786	0.2
179.07115	0.3
191.01868	0.3
217.90129	0.2
219.48965	0.2
280.95364	0.3
376.23416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01701	0.6
59.01390	0.5
61.98822	0.5
62.96402	0.5
70.56855	1.4
78.95901	100.0
93.94234	0.5
94.57291	0.4
96.96960	6.9
98.20647	0.5
101.34987	0.5
140.01192	1.5
152.99585	18.2
171.00635	17.6
171.02126	0.7
182.24493	0.5
214.04855	2.3
277.21701	49.2
278.21948	2.5
353.55923	0.6
400.22537	1.5
456.05453	0.5
474.26221	63.9
475.26672	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14340	0.3
58.16642	0.3
58.58343	0.3
62.96379	0.5
67.42799	0.3
69.26325	0.3
70.05264	1.2
70.05601	0.3
71.02999	0.3
78.95898	100.0
90.09090	0.3
92.10931	0.3
96.96954	8.2
98.35448	0.3
112.59006	0.3
134.67244	0.3
135.16853	0.3
141.57840	0.3
152.99570	17.0
164.32227	0.3
171.00623	17.2
214.04819	0.4
260.44656	0.3
277.21790	1.3
388.20651	0.3
400.22559	1.7
471.86072	0.3
474.26212	61.5
475.26541	4.6
475.90436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0883
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
57.03455	3.6
59.01380	55.5
60.01715	1.9
61.93857	0.7
61.98831	4.0
67.01907	0.9
69.03449	1.2
69.36451	5.9
71.01382	18.6
71.43301	0.7
72.01686	0.8
72.99303	1.9
73.02947	4.4
75.00871	5.4
80.15388	0.7
83.01377	2.3
84.02139	0.7
85.02947	25.2
86.51407	0.8
87.00886	5.0
89.02439	7.8
90.31532	0.7
93.03446	1.4
95.01385	7.3
96.96010	1.4
98.20589	1.4
99.00890	8.3
101.02440	7.5
103.00377	3.8
109.02903	0.9
111.00880	1.1
113.02449	46.0
114.02765	0.8
115.00375	2.4
117.01910	2.1
119.03494	1.6
120.86614	0.8
125.02469	0.9
129.01930	2.3
135.04486	1.1
151.00357	2.2
158.70947	0.9
161.04553	2.7
173.04538	3.2
175.02493	10.3
179.05614	2.3
191.05576	2.5
200.04895	0.9
221.11844	2.2
227.03539	0.9
239.12865	1.2
255.03079	1.0
256.03680	6.2
283.02432	0.8
284.03256	89.8
285.03787	4.8
295.05997	1.3
299.05588	100.0
300.05975	5.1
313.19766	0.9
341.06396	1.0
415.14536	1.2
415.23343	5.9
432.19836	0.8
433.24167	2.3
443.09500	0.8
475.08524	9.4
475.15952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31067	1.1
53.42281	1.3
57.03422	2.4
59.01374	100.0
61.98833	7.3
71.01375	23.0
72.99328	2.0
73.02946	10.6
75.00856	4.6
83.01386	1.9
83.04993	1.3
85.02950	11.0
87.00874	3.4
89.02438	12.1
93.03448	3.2
93.57702	1.1
95.01411	1.9
96.95992	2.1
99.00877	4.6
101.02430	11.6
102.05521	1.3
102.46464	1.1
111.04510	1.2
113.02438	19.4
117.01883	1.3
119.03484	4.5
119.05001	7.2
120.05330	3.7
128.82204	1.2
133.33926	1.2
154.60832	1.5
157.77240	1.1
159.04469	1.3
161.04550	6.1
173.04518	7.9
179.05611	2.5
179.10759	5.4
191.05554	5.2
202.18451	1.2
223.09691	1.1
225.14967	1.9
249.06088	4.7
267.07205	1.5
369.19104	4.7
387.20181	3.5
404.47714	1.3
413.21640	5.4
429.16791	2.4
429.21988	2.3
431.23013	1.2
473.16461	26.8
473.29041	6.2
474.16846	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01376	100.0
61.98817	3.1
70.60887	0.7
70.87716	1.5
70.88055	1.2
71.01379	16.5
71.55537	0.9
73.02940	8.8
74.02450	0.8
75.00874	1.0
75.06809	0.7
78.51196	0.8
82.26031	0.7
83.01381	1.8
83.05020	1.0
85.02940	4.6
87.00861	4.0
88.49268	0.7
89.02432	6.1
90.00041	0.9
93.03429	2.3
99.00866	2.1
99.04507	1.0
101.02432	9.9
105.23653	0.7
113.02444	8.6
119.03475	3.6
119.04980	1.0
123.08123	3.2
131.03497	0.8
137.09702	2.1
143.03418	1.4
145.02928	1.2
149.04431	1.0
152.07164	1.2
159.03156	0.7
161.04532	6.6
163.11264	2.2
173.04488	4.2
179.05580	2.2
188.48186	0.8
189.12859	3.8
191.05502	4.4
207.13870	6.3
209.11775	1.6
225.14877	2.4
268.03790	4.4
269.04489	2.7
282.72797	0.9
387.20175	1.9
413.21661	3.4
413.26617	1.2
415.01450	0.8
429.21021	1.0
473.10730	3.3
473.16837	2.7
473.29727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01376	100.0
61.98819	2.2
69.17467	11.6
70.51508	1.2
71.01378	25.4
71.16066	1.1
72.99285	2.4
73.02943	7.6
73.04076	1.1
74.02470	2.7
83.01379	4.9
83.05032	1.5
85.02948	12.0
87.00880	1.7
87.80691	1.1
89.02437	14.8
93.03448	2.1
95.01397	2.1
98.20602	2.5
99.00876	1.8
99.04472	2.3
101.02427	18.3
113.02433	15.4
115.05088	1.4
119.03501	5.0
125.02381	1.2
135.04498	1.1
137.09808	1.1
143.03479	2.5
145.02963	1.6
161.04527	3.9
163.11229	1.2
167.20354	1.2
173.04539	7.0
183.71358	1.1
191.05544	4.6
197.15474	1.1
207.13806	1.8
209.11786	1.4
225.14899	7.9
256.20258	2.2
268.03711	5.6
269.04315	2.8
283.06158	3.5
290.82092	1.1
311.05600	6.1
343.17148	1.2
358.00748	1.3
369.19135	32.8
370.19275	3.2
387.20200	42.9
388.20441	2.8
399.22247	2.0
413.21722	2.7
429.15869	1.6
429.21234	22.9
430.21857	2.5
439.61481	1.3
473.10724	5.8
473.16452	1.4
473.25848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48751	0.3
59.01375	2.2
61.98822	1.1
65.45718	0.3
69.03436	0.6
71.01366	1.2
73.02952	0.3
79.47650	0.3
84.07117	0.3
85.02952	0.5
89.02457	0.3
95.01398	0.3
95.05039	2.5
96.26472	0.3
96.96013	0.3
98.26019	0.3
101.02439	0.7
106.04238	0.7
107.99194	0.3
108.02155	0.8
109.02945	1.2
110.58056	0.3
111.04505	0.8
113.02415	0.5
119.03557	0.3
119.05010	2.8
121.02948	6.7
122.03744	3.5
123.04476	0.8
132.05794	1.7
133.06578	4.7
135.04504	4.5
137.06052	1.2
152.39194	0.3
161.04568	0.4
161.09724	3.2
164.04778	0.8
187.11263	8.6
188.11711	0.4
189.12856	3.1
221.54456	0.3
225.14960	0.3
267.17471	0.5
269.15390	1.3
279.19022	0.3
311.16492	100.0
312.16830	5.7
460.40652	0.3
473.21375	0.6
473.27344	3.4
474.27881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03442	1.8
59.01377	37.9
61.98822	1.0
62.95819	0.6
67.01886	1.6
68.99813	1.2
69.03417	0.8
69.29832	3.7
69.30256	1.7
71.01382	14.5
72.99313	5.3
73.02942	3.2
74.69326	0.6
75.00870	12.7
76.66380	0.6
81.03455	1.0
83.01396	1.1
85.02942	15.5
87.00874	5.5
89.02439	4.4
91.04034	1.4
93.03450	1.2
95.01375	3.9
98.19878	1.3
99.00877	10.3
101.02432	2.8
103.00368	1.7
105.82876	0.6
111.00867	1.7
111.04485	0.7
113.02448	18.5
115.00360	1.9
117.01922	2.3
119.03434	0.8
119.05054	1.3
121.16140	0.6
129.01888	1.5
131.03525	0.9
135.11772	5.7
150.44080	0.6
157.01410	1.1
161.09698	1.8
175.02449	2.7
179.10768	20.6
191.05641	0.7
223.09833	2.9
231.05104	3.0
249.06139	26.0
250.06499	0.8
267.07166	6.7
297.13364	9.1
311.16565	1.0
411.16757	1.0
429.17648	17.6
455.15649	1.7
461.60275	0.7
473.16617	100.0
474.16858	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03441	4.5
58.00602	1.3
59.01382	61.5
61.98828	1.8
66.14637	1.0
67.01887	1.8
68.99804	3.5
69.03451	3.7
69.50828	1.5
69.51238	6.3
71.01007	1.8
71.01385	30.8
72.99312	8.3
73.02952	6.6
75.00871	29.7
83.01398	2.0
85.02951	31.5
87.00881	10.5
89.02451	7.9
91.04006	1.9
93.03481	1.4
95.01389	10.3
95.53461	1.1
95.73487	1.1
98.19883	1.6
99.00877	16.3
99.04465	1.0
100.54189	1.0
101.02447	3.1
102.51551	1.1
103.00377	3.3
111.00867	2.5
111.04505	1.4
112.27972	1.1
113.02456	37.4
114.34229	1.1
115.00376	4.2
117.01949	4.1
119.03519	1.2
119.05038	2.8
129.01952	3.3
133.10214	1.2
135.11801	13.1
139.00410	1.7
157.01457	2.7
157.30936	1.1
161.09723	2.3
173.04482	2.0
175.02460	4.2
179.10776	37.7
189.04063	1.7
191.05687	1.2
231.05040	5.7
249.06155	58.5
249.49178	1.2
250.06554	1.5
267.07181	24.5
364.90820	1.3
369.15735	1.5
411.16632	3.3
429.17648	82.0
430.17892	5.4
473.16663	100.0
474.17020	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03441	4.3
58.00603	1.3
59.01376	84.8
61.98827	9.8
61.99502	0.7
67.01889	2.1
68.99820	3.1
69.03458	1.7
69.36167	5.1
71.01376	34.5
72.99312	8.5
73.02937	8.9
75.00868	25.4
81.03475	1.6
82.95406	0.7
83.01410	2.3
83.05012	0.9
84.02183	0.9
85.02945	33.7
87.00867	10.7
87.04531	1.4
88.98840	0.7
89.02434	9.7
89.02921	0.7
91.04019	1.9
93.03442	4.1
95.01375	7.4
95.01949	0.9
96.96023	0.9
97.02940	1.2
97.06578	1.2
99.00870	15.2
99.04523	1.7
101.02433	6.3
103.00359	3.8
107.01383	1.0
109.02935	0.9
111.00896	1.8
111.04530	1.9
113.02446	39.5
115.00380	3.2
115.07648	0.9
117.01956	4.4
117.03371	1.3
119.03548	1.0
119.05039	1.3
121.28033	0.7
125.02456	1.8
129.01965	2.4
129.69695	0.6
130.99918	0.7
131.03514	1.0
135.04507	1.2
135.11813	6.0
143.03519	0.7
145.02965	1.4
149.99536	0.7
151.00392	1.2
155.03436	0.7
157.01416	1.9
159.04503	0.7
159.08176	1.7
161.04584	2.3
161.09680	5.6
163.04037	0.9
173.04526	7.9
175.02481	5.0
179.03528	1.2
179.10765	51.8
180.11165	1.9
189.04073	1.3
191.05597	5.7
200.04819	0.7
204.66476	0.6
205.07199	1.6
211.03951	1.2
223.09799	1.0
231.05020	4.4
239.03503	1.2
240.04315	2.4
249.06123	42.9
250.06541	1.6
251.16553	1.0
267.02902	1.1
267.07150	14.8
267.09988	1.2
268.03729	42.7
268.59851	0.7
269.04477	12.6
283.06110	0.8
297.13394	5.0
299.18750	1.2
311.05704	2.8
341.06586	1.6
369.15768	0.8
387.35333	0.7
411.16428	3.1
413.21771	3.7
429.17599	32.2
430.18253	2.4
455.15488	3.7
473.10791	28.7
473.16809	100.0
473.28030	4.2
474.11191	2.6
474.17157	7.0
474.23560	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25114	0.6
55.01866	1.1
57.03435	2.7
58.00584	0.7
58.46461	0.5
59.01378	47.4
61.98823	1.7
67.01881	2.4
68.99807	1.4
69.03452	1.6
69.22565	5.1
71.01379	21.4
71.05012	0.7
72.99304	6.6
73.02940	6.1
75.00871	14.4
81.03455	1.2
83.01385	2.1
85.02947	20.3
87.00871	6.9
89.02446	7.1
91.04004	1.2
93.03460	1.5
95.01377	4.5
96.96007	0.7
99.00877	9.6
101.02444	4.1
103.00372	2.0
109.03020	0.7
111.00845	1.7
111.04510	1.1
113.02452	22.8
115.00352	3.2
117.01922	2.4
119.04996	3.0
120.05378	1.0
129.01959	1.1
131.03569	0.7
135.04536	1.0
135.11777	6.7
157.01382	1.7
158.68398	0.7
161.04547	2.4
161.09660	2.5
165.09160	0.6
173.04529	1.8
175.02473	4.3
179.10770	26.1
180.11069	0.9
191.05618	2.8
203.14403	1.2
223.09775	2.8
231.05063	2.6
249.06129	24.7
250.06485	0.8
251.16353	3.8
267.07214	7.5
296.55948	0.7
297.13397	8.4
306.24225	0.6
311.99316	0.7
394.36960	0.6
411.16617	2.3
413.21628	2.3
429.17624	24.6
430.18237	1.6
455.15753	1.9
472.29041	1.5
473.16608	100.0
473.29907	2.1
474.16968	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84795	0.8
55.01859	1.1
57.03428	3.5
57.45361	0.8
58.00589	1.4
59.01382	46.2
60.35898	0.8
61.98839	4.7
67.01874	2.0
67.21381	0.9
68.99798	3.0
69.00125	0.9
69.03461	3.0
69.58014	5.4
71.01385	28.3
72.99313	8.4
73.02948	8.8
75.00874	24.7
81.03443	1.2
83.01388	2.8
83.05012	1.2
85.02952	31.5
87.00871	9.8
89.02452	9.3
91.04005	2.2
93.03449	2.8
95.01394	9.5
97.02995	1.1
99.00887	16.9
99.04482	0.9
101.02444	3.0
101.65898	0.8
103.00357	3.4
111.04533	1.2
113.02460	35.8
115.00356	3.4
115.07652	0.9
117.01921	5.3
125.02400	1.1
129.01894	2.9
135.04541	1.4
135.11790	5.8
139.00340	1.1
157.01392	2.3
159.08153	1.9
161.09709	5.2
173.04527	4.1
175.02507	4.3
179.10780	56.0
180.11145	1.4
191.05615	3.7
205.07076	1.5
223.09747	0.9
225.03735	0.8
231.05092	5.9
249.06146	43.4
267.07208	14.2
268.00961	1.3
268.03766	18.5
269.04532	7.2
297.13489	5.3
311.05807	1.1
411.16696	4.6
413.22104	1.2
429.17642	32.0
430.17850	1.7
455.15295	3.9
473.10733	12.2
473.16663	100.0
474.11011	1.3
474.16971	7.9
474.23715	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	473.1087
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.86246	0.3
59.01374	2.9
61.98819	0.3
63.02391	0.9
65.00313	0.8
69.48425	0.5
69.48837	1.3
71.01375	1.4
75.00858	1.0
83.01377	1.0
85.02924	1.1
87.00865	0.4
87.25607	0.2
90.95524	0.2
91.31641	0.2
93.03455	0.5
95.01359	0.4
98.19837	0.2
99.00864	0.7
101.02390	0.3
107.01373	2.1
113.02430	1.1
114.32561	0.2
117.03436	2.4
119.05018	0.8
135.04561	0.3
135.11871	0.3
148.01668	0.5
149.02461	1.3
149.99565	0.7
151.00354	2.9
155.04921	0.3
156.05772	0.3
159.04488	0.6
171.04579	0.8
172.05276	1.0
173.04558	0.6
179.10753	1.1
181.86418	0.3
183.04594	0.6
184.05338	0.4
191.05602	0.6
195.04558	0.4
196.05228	1.1
199.03984	0.5
200.04805	0.6
201.05531	0.5
211.03995	1.7
212.04770	0.8
224.04800	0.3
225.05554	0.6
239.03482	3.5
240.04250	4.6
249.06184	1.5
267.03079	1.6
267.07242	0.3
268.03741	100.0
269.04471	30.5
269.07657	0.5
270.04874	1.3
281.04672	0.4
283.06146	0.6
311.05624	1.4
323.05499	0.3
327.73203	0.3
341.06531	0.3
362.54034	0.3
429.17688	1.4
473.10849	78.5
473.16449	5.0
474.11191	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	473.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55450	0.4
58.50735	0.4
59.01377	21.2
60.35724	0.4
61.98830	1.6
69.34341	1.0
69.34761	2.0
71.01376	2.9
73.02951	1.2
78.95903	1.1
81.98671	0.4
83.01353	0.5
84.95113	0.4
85.02961	1.1
87.00885	2.8
89.02457	1.0
93.03465	0.7
96.96010	9.3
98.02480	1.1
99.00888	1.8
101.02442	1.6
103.00375	1.2
111.00901	1.6
113.02457	1.0
115.38448	0.3
119.03548	0.4
128.03511	0.8
134.03743	2.1
135.04480	0.6
140.07217	0.5
147.74283	0.4
152.99551	1.8
156.03554	0.4
161.02496	0.6
161.04521	0.6
162.03218	73.2
163.03586	2.0
163.11386	0.4
173.04550	0.9
177.05557	100.0
178.05910	2.9
179.01573	0.4
191.05637	1.4
201.11330	3.7
209.11775	2.7
225.07629	0.9
243.50674	0.4
300.05542	0.5
308.18533	0.6
339.76859	0.4
361.24118	1.2
368.68057	0.4
413.14404	0.5
414.21539	0.9
429.19528	0.7
431.15295	0.8
437.20465	0.6
455.16583	0.7
455.54086	0.4
473.17688	5.6
473.24451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3497
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.73642	0.3
53.24609	0.3
59.01367	0.9
61.98836	1.7
71.56286	0.5
76.71631	0.3
90.67205	0.3
94.52383	0.4
129.17299	0.3
213.75612	0.3
241.21800	0.3
347.23660	0.4
423.32883	0.7
471.34790	100.0
472.35175	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	472.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99863	0.2
58.43367	0.3
61.98827	13.5
78.95915	1.2
79.95740	2.6
82.14008	0.2
86.67008	0.2
96.96006	100.0
98.02421	0.2
125.22864	0.2
163.04002	0.4
163.99025	0.2
176.03471	0.2
189.98819	0.3
191.05641	0.3
222.14635	0.2
235.17569	0.2
355.38867	0.2
473.00452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96371	0.8
57.03441	0.8
58.00593	1.8
59.01378	38.1
59.16952	0.7
64.29585	0.8
68.46473	0.7
70.54751	2.3
71.01381	29.7
72.99309	1.7
83.01379	0.9
85.02950	3.5
87.00870	1.5
89.02444	45.2
90.01180	0.7
95.01385	1.9
95.23840	0.6
96.50954	0.7
101.02438	15.1
112.12695	0.7
113.02449	14.4
119.03495	12.9
130.08740	42.7
130.88083	0.8
131.03471	1.0
131.09105	1.0
142.82248	0.8
143.03487	3.4
149.04550	1.2
151.74174	0.7
161.04567	5.1
179.05615	19.3
180.05908	0.9
235.59642	1.0
293.77957	0.9
341.10867	100.0
342.11221	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	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03449	0.9
58.00599	0.5
59.01382	100.0
60.01715	0.5
61.98830	2.3
69.03465	0.5
71.01384	17.0
71.05038	0.4
72.52576	0.3
72.99303	0.9
73.02955	4.6
73.27528	0.3
78.95918	0.4
83.01394	1.8
83.05058	0.3
85.02952	5.8
86.00114	0.4
87.00872	1.7
87.04536	0.9
89.02452	8.9
93.03468	0.8
94.02074	0.3
94.44760	0.3
95.01415	1.0
96.96026	0.3
97.02956	0.3
97.06577	0.5
98.04343	0.3
99.00869	1.8
101.02448	11.2
101.06107	1.3
108.02160	0.3
109.02966	0.4
111.00941	0.6
113.02457	7.7
115.00373	0.4
117.03491	1.0
119.03513	3.6
119.05003	2.1
125.02469	0.6
129.01917	0.4
131.03470	0.4
133.02980	0.4
133.49545	0.3
135.04575	0.5
137.02377	0.4
143.03519	1.5
143.04649	0.5
145.02965	3.2
147.04488	0.5
161.02403	0.4
161.04570	3.5
161.13387	0.9
163.04053	1.3
173.04568	2.1
175.02489	0.4
179.05591	2.0
191.03848	0.4
191.05650	3.1
215.03543	0.4
220.72183	0.4
253.08778	1.2
267.19720	1.0
283.68954	0.3
291.19788	0.5
309.14859	0.4
333.00543	0.6
337.05893	0.9
374.06323	0.4
393.22968	1.1
399.18347	0.3
411.23883	3.2
429.24896	6.3
430.25336	0.6
439.13843	0.5
471.17252	0.4
471.27078	3.1
471.34381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	63.0
61.98814	4.3
64.36259	2.3
71.01376	61.7
71.55930	2.9
72.99313	3.8
73.02925	3.9
78.95890	2.9
84.16976	2.3
85.02957	5.4
87.00870	4.1
89.02441	68.3
101.02438	18.0
104.36045	2.4
113.02441	14.1
117.38392	2.3
119.03497	11.5
122.68990	2.1
131.03471	2.6
143.03494	6.5
161.04547	3.4
162.83855	4.2
164.83600	3.1
165.12839	15.9
167.74037	2.9
178.16446	2.5
179.05583	23.2
200.45000	2.3
212.82973	2.4
233.15504	2.3
247.20663	9.5
273.18555	4.0
291.19635	100.0
292.19995	3.3
415.24738	5.3
417.26367	10.5
435.27173	4.3
471.03760	2.6
471.34793	2.6
494.86893	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	471.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49781	0.2
55.38990	0.2
58.00588	0.3
59.01376	3.8
61.98832	1.1
69.64553	0.2
69.79165	0.2
69.82879	0.7
69.83309	0.4
71.01375	1.7
72.00905	0.9
72.99240	0.2
73.02953	1.3
82.02976	1.7
83.01368	0.3
84.02161	0.7
85.02937	0.6
89.02441	0.8
93.03466	2.1
96.96017	2.0
98.02500	0.4
98.20545	0.4
99.00886	0.7
100.04045	10.9
101.02431	1.0
107.05059	0.3
111.01995	0.6
111.04546	0.2
113.02447	0.3
117.03480	2.5
119.05022	100.0
120.05363	2.9
121.02923	0.3
121.06590	0.6
124.02557	0.2
145.02950	8.3
147.04530	1.1
149.04611	0.3
155.03542	0.2
161.04605	0.3
161.06021	0.3
163.04016	1.2
173.04562	0.7
176.77509	0.2
179.10747	0.2
186.05608	0.5
188.07195	1.5
191.05624	1.3
205.12350	0.5
206.08197	12.5
207.08401	0.3
222.84808	0.2
236.20198	1.1
248.36395	0.2
259.21854	0.6
264.19644	2.8
275.21082	0.3
287.21399	0.4
296.10019	0.2
339.15500	0.3
353.49725	0.2
358.01526	0.2
379.71866	0.2
385.18549	0.3
423.26498	0.7
427.19675	0.4
435.26364	0.4
441.27292	0.3
453.27463	0.3
471.28589	55.9
472.28928	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	471.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18838	1.4
55.01886	3.3
57.03443	2.6
59.01382	32.3
61.00860	1.4
63.54120	1.1
69.65199	3.6
69.65598	2.9
71.01385	37.2
72.52198	1.1
73.02947	15.5
83.01376	7.2
85.02954	18.4
85.28507	1.1
87.00877	2.5
89.02428	8.7
95.01389	4.0
96.96022	6.9
97.02983	2.0
99.00874	7.3
101.02441	38.1
102.02972	1.2
111.00882	2.3
113.02452	19.0
117.09204	1.6
125.02484	1.6
133.01442	1.8
143.03497	2.7
149.04445	1.3
159.02965	5.6
161.04570	15.2
214.53795	1.2
279.14490	100.0
280.14731	4.6
387.88025	1.4
411.18726	83.0
412.19019	4.8
471.26007	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	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72982	0.6
58.72049	0.7
59.01380	32.1
61.98811	0.9
70.76644	2.2
71.01376	11.4
73.02945	15.0
73.03354	1.0
82.02978	2.7
83.01392	3.3
85.02957	1.6
87.00846	0.9
89.02435	5.2
93.03449	2.2
95.01360	1.1
99.00898	0.6
100.04039	11.6
101.02443	12.9
113.02450	5.4
117.03458	2.5
119.05023	100.0
120.05345	1.7
131.03484	1.2
143.03436	2.6
145.02927	7.5
149.04559	1.7
153.09204	2.3
161.04539	4.8
163.04015	1.1
173.04628	1.8
188.07198	1.6
191.05676	1.3
205.12328	5.3
206.08205	13.9
236.20116	0.9
264.19589	4.3
268.43332	0.7
282.92377	0.8
367.17514	2.3
385.18704	2.5
415.23984	0.6
423.26553	0.8
427.19757	3.3
435.26346	0.8
471.28598	64.7
472.28912	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98822	6.0
67.27753	1.7
69.87798	10.8
71.01378	27.5
72.41804	1.8
73.02944	22.5
78.95900	4.1
79.95757	2.5
80.96516	21.8
82.95410	26.5
83.01388	4.7
85.02948	11.4
87.00834	2.8
89.02432	5.3
94.98078	3.6
95.01326	3.5
96.96971	2.8
97.02946	4.5
99.00814	1.8
101.02434	18.0
106.80174	1.8
108.47349	1.9
109.02922	2.8
113.02469	12.4
113.60938	2.1
114.02837	1.9
117.03476	6.9
119.05025	18.0
123.08172	3.4
125.02404	2.1
128.01823	2.0
128.03519	1.9
138.06873	13.1
139.07639	5.5
145.02931	24.6
148.99234	2.1
151.07687	16.2
152.08415	28.4
153.09203	81.5
154.09554	3.8
161.04543	6.2
163.03963	7.5
165.09230	3.7
173.04564	2.6
191.05617	5.7
205.12311	24.8
206.08101	2.0
207.10249	2.0
220.28020	2.1
223.13344	17.2
225.00780	4.4
243.12309	2.7
283.97476	1.9
367.17542	13.6
385.18579	8.1
412.25403	2.1
427.19720	6.6
471.15430	39.9
471.28391	29.8
472.16376	3.5
472.28622	2.3
473.18533	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	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01486	4.8
59.01375	100.0
59.96434	6.3
66.44025	4.8
71.01408	32.1
72.23357	5.1
73.02948	18.4
78.95901	5.8
79.79166	4.5
80.96505	8.0
86.97931	4.6
97.02947	6.4
101.02419	17.2
113.02448	8.5
138.06841	11.8
139.07639	7.4
151.07660	8.1
152.08429	17.0
153.09206	62.0
161.04591	5.7
205.12268	29.9
206.85109	5.7
223.13326	8.5
299.62323	5.0
367.17560	9.0
385.19092	7.0
413.75925	6.2
427.19647	7.9
469.87427	5.3
471.15579	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2572
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
51.07946	0.3
54.46748	0.3
59.01379	0.5
61.21647	0.3
61.98819	0.9
71.56879	0.6
78.95902	7.8
82.29367	0.3
96.96996	0.7
109.06594	0.5
114.94889	0.3
122.15882	0.3
150.97955	0.4
152.99580	15.1
171.00620	0.9
174.32939	0.3
207.10211	0.3
211.13405	1.1
227.03229	4.0
239.20238	0.3
241.21710	100.0
242.22047	4.9
245.04276	1.8
469.25671	33.3
470.26068	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96719	10.1
55.83702	11.0
57.73014	12.6
59.01384	32.4
59.57074	10.2
61.98833	23.7
66.48698	9.5
67.17977	10.2
71.01388	53.9
71.55400	11.4
71.55789	17.8
78.95903	13.0
97.02962	23.8
109.06596	89.5
137.03818	12.1
152.28426	10.1
152.99666	15.4
163.11296	57.4
171.10268	20.3
173.03030	12.4
181.12299	13.6
205.24084	12.5
207.10277	100.0
225.11363	35.5
239.90895	13.5
255.23372	38.6
340.38504	11.7
451.24832	16.6
462.05341	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	470.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00840	6.1
55.09669	4.9
57.67565	4.8
59.01377	6.7
61.98823	100.0
69.42522	39.2
71.01384	44.0
77.11044	6.1
80.70638	4.9
82.14791	5.2
115.00372	92.5
130.83530	5.2
144.97916	5.2
160.84143	10.9
163.11360	5.9
171.10211	11.7
199.09581	8.3
247.16936	16.4
309.20593	6.7
310.10410	6.8
363.21753	14.9
382.60028	6.0
407.20740	84.1
408.20917	14.4
411.78622	5.5
417.26379	70.0
435.27454	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.0
59.01377	89.1
60.03596	1.8
62.40118	1.4
69.47536	2.6
69.47943	8.5
71.01380	70.4
71.01780	3.8
72.99313	2.5
73.02949	16.1
77.65618	1.5
83.12656	1.7
85.02955	12.7
87.00887	2.0
89.02443	100.0
96.95989	2.4
98.19906	3.7
101.02440	46.5
113.02443	11.8
119.03509	8.7
125.02415	2.2
131.03513	36.9
143.03392	1.8
149.04546	98.5
150.04831	1.9
161.04561	3.8
169.44576	1.8
179.05672	3.0
191.05576	19.4
192.05974	1.6
203.74750	1.9
251.07600	2.4
277.12994	2.7
293.08942	1.7
311.09845	3.9
409.17136	20.2
439.24579	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.6
57.03443	0.9
59.01379	100.0
60.01718	0.8
60.50683	0.5
69.46656	1.7
69.47088	2.3
71.01382	14.6
72.99356	0.6
73.02936	5.1
83.01396	2.4
85.02946	7.3
87.00848	0.6
89.02435	1.6
95.01395	1.0
96.96035	2.4
99.00909	2.2
101.02437	10.4
108.02172	0.9
109.02980	1.9
113.02449	6.2
114.02845	0.5
129.02022	0.6
133.05075	0.6
135.04402	0.6
143.03510	1.0
148.05417	0.9
149.04733	0.6
159.03032	1.3
161.04555	18.5
163.07697	1.3
173.04497	0.6
191.05647	1.8
205.03490	0.9
205.30032	0.5
235.08316	1.6
409.17114	9.1
410.17960	0.8
431.56711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10351	1.1
55.01868	1.7
58.00586	3.1
59.01374	74.0
61.98826	9.2
65.96268	1.0
68.86071	1.2
69.44619	2.8
69.45032	6.6
71.01378	61.7
72.99313	3.2
73.02951	10.7
83.01384	2.8
83.60307	1.1
85.02942	10.2
87.00880	3.8
89.02439	100.0
96.96007	4.0
98.52361	1.4
101.02440	43.2
111.09674	1.3
113.02463	11.1
119.03497	6.9
125.02447	2.2
129.73157	1.3
131.03506	31.7
149.04546	98.0
149.92500	1.7
161.04533	3.1
163.07663	2.7
179.60124	1.2
187.48100	1.4
191.05542	17.2
191.07120	1.4
251.07642	2.0
311.09879	4.0
341.48462	1.3
345.89615	1.3
409.17075	17.6
474.48947	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	467.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01418	0.4
58.68322	0.5
59.01379	2.4
61.98821	1.6
64.38566	0.4
70.13945	1.9
71.01379	0.7
78.95908	10.9
96.96958	0.6
132.88463	0.5
152.99597	21.0
156.84828	0.5
171.00612	3.0
187.01762	0.4
218.71396	0.5
227.03296	4.0
239.20168	100.0
240.20505	5.1
245.04323	9.6
277.21848	0.5
363.29605	0.4
395.53339	0.5
401.36862	0.6
413.74628	0.6
467.24121	41.4
468.24475	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.8
57.03446	11.3
59.01378	14.9
61.98829	10.9
69.03452	0.8
71.01380	12.6
71.55547	1.0
72.99306	1.4
73.02935	2.0
80.43886	0.5
83.01393	1.1
83.05029	1.2
85.02946	8.9
87.00865	6.4
89.02433	7.3
93.03456	1.5
95.01402	2.3
95.05048	0.8
96.96004	2.0
97.02953	1.4
99.00864	3.3
101.02437	6.9
108.02193	2.0
109.02959	0.5
111.00879	1.2
113.02440	12.1
113.03159	0.9
117.01942	0.9
118.02044	0.5
119.03503	2.4
119.05025	1.3
120.99606	0.5
121.02934	0.5
122.03708	1.0
123.00867	0.8
123.04506	1.2
124.01653	0.8
125.02282	0.5
127.04005	0.9
131.03450	0.6
131.88574	0.5
132.02187	0.9
133.02953	1.1
134.03741	7.1
134.92302	0.4
135.04494	1.2
136.69571	0.4
137.02428	0.6
139.04012	1.3
145.02933	1.1
146.03746	1.0
147.04527	1.1
147.52277	0.5
148.05298	76.7
149.04607	1.0
149.06099	8.7
150.06834	2.0
158.03717	1.0
159.03201	0.6
159.04425	2.6
160.01643	0.6
160.05225	1.3
161.02420	2.1
161.04594	2.0
161.06075	3.7
162.03180	1.1
163.04013	3.7
163.07637	100.0
164.04782	1.3
164.07956	3.3
165.01884	3.7
169.06451	0.5
171.04483	1.5
173.04536	1.7
173.06062	3.1
174.03218	8.8
174.06691	1.0
175.03996	5.1
175.07562	1.2
176.04782	2.6
177.05568	2.7
178.06306	0.6
179.03464	1.2
179.07133	2.9
180.04257	2.4
184.05322	1.0
185.06056	2.0
186.03290	2.8
186.06863	3.2
187.03993	12.7
187.07591	0.6
188.04764	11.5
189.05556	6.5
190.02768	1.0
191.05630	1.0
191.07138	4.8
192.07887	0.7
193.08731	0.8
195.06607	4.3
197.89236	0.6
201.05524	6.8
201.09186	1.5
202.02773	0.8
202.06345	8.1
203.03546	4.2
203.07127	8.4
204.04291	1.3
204.07922	7.3
205.05011	3.0
206.05745	1.0
207.10271	1.1
212.04762	2.5
213.05571	2.6
214.06343	7.9
215.03490	2.5
215.06992	1.2
217.05055	2.7
217.08600	3.3
219.06644	2.3
219.10233	9.6
221.08180	5.0
225.07666	1.7
227.07103	2.6
228.04102	0.5
228.08116	0.8
229.05103	6.3
229.08665	11.2
230.05817	26.0
231.06592	3.3
233.08008	0.6
235.06192	0.7
235.09735	1.2
237.80110	0.5
243.06670	0.8
244.07391	7.4
245.08156	54.6
246.08548	2.0
247.06151	2.4
247.09659	0.8
248.06805	1.0
249.07680	0.7
251.07472	1.2
259.09747	1.2
263.09219	77.8
264.09656	4.1
287.09256	2.3
289.07236	2.7
291.08691	0.6
305.10312	0.7
307.08200	10.9
308.08612	0.7
311.48877	0.6
323.09927	0.8
407.13281	3.3
410.12024	1.4
425.14487	38.8
426.15005	2.6
431.15320	1.1
469.13428	19.3
469.18985	0.8
470.13794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36373	2.4
59.01373	30.3
61.98829	6.2
63.64093	2.6
71.01376	17.4
71.55594	3.1
72.99304	49.7
75.00870	12.9
83.05025	3.2
85.02975	2.7
87.00874	2.3
89.02421	21.6
93.03446	3.7
97.06556	2.4
99.00880	20.1
100.04120	2.4
109.06587	2.9
112.98803	18.8
115.00336	3.0
117.01945	32.1
124.98802	6.5
134.03688	3.9
135.02983	8.1
137.02469	2.7
139.75600	2.1
142.99855	100.0
143.45291	2.1
144.00163	2.7
156.00681	2.4
165.68398	2.4
171.10303	2.6
173.00896	42.0
173.04500	4.0
174.01685	36.4
175.02458	2.9
187.11444	2.3
191.05484	2.5
193.12334	5.6
217.12320	4.8
225.14917	10.9
235.13400	4.1
244.57991	2.5
245.11815	5.0
253.14455	8.5
263.12802	5.6
267.15970	3.2
277.14371	8.0
281.13858	21.1
282.43262	2.4
294.14636	5.1
295.15479	25.3
309.17059	3.1
321.13510	7.9
337.16757	3.4
339.14389	11.5
341.15723	3.3
353.16028	48.3
354.16431	2.6
399.16461	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	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77890	0.2
59.01376	1.6
61.56483	0.2
61.98828	100.0
63.99261	0.3
71.01387	0.8
71.55056	0.4
75.00893	0.2
85.02936	0.5
85.76289	0.2
87.00896	0.5
89.02468	0.8
93.03474	0.8
96.96001	0.4
101.02434	0.4
111.04520	0.3
113.02370	0.3
114.05576	0.4
126.84581	0.2
141.37129	0.2
159.04515	0.4
163.99464	0.4
164.01802	0.3
165.00250	0.5
173.04550	3.0
177.99686	1.0
187.07668	0.8
191.00494	0.9
191.05614	1.9
192.01265	3.7
205.08813	0.4
231.10313	0.7
248.03842	11.5
249.04070	0.3
275.09235	1.2
292.02777	4.1
367.44281	0.3
406.21494	0.7
449.14511	0.6
466.08444	0.4
467.15881	0.4
479.48447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
60.01713	0.3
61.98829	100.0
62.98499	0.3
67.01891	0.5
69.21675	2.1
69.22081	0.3
71.01398	0.4
78.95911	1.0
85.02979	0.3
87.00874	0.3
93.03468	0.9
96.96018	0.4
97.06573	0.4
111.12484	0.3
112.33205	0.2
119.01506	0.3
133.02951	0.3
134.03703	0.3
134.26254	0.2
135.04524	0.5
137.02522	0.3
152.99596	0.4
155.03517	0.4
158.80354	0.2
162.23207	0.3
163.04080	0.3
173.04559	3.4
178.02768	0.5
179.03523	0.5
191.05588	2.3
248.03862	0.3
257.16629	0.3
269.04474	0.3
280.15378	0.3
293.10483	0.4
367.60849	0.2
380.22656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98831	100.0
69.47398	1.1
71.01398	0.3
74.18409	0.2
83.05048	0.2
83.28989	0.2
85.02985	0.3
88.93940	0.2
93.03489	0.5
101.02479	0.3
111.04546	0.3
115.06097	0.2
120.19110	0.2
146.03780	0.2
155.03546	0.4
158.03789	0.6
159.04558	0.8
173.04602	1.3
173.06120	0.6
175.07677	0.3
187.07645	2.7
191.05595	1.7
202.06458	0.7
203.10733	0.9
231.10205	1.9
239.42264	0.2
249.11482	0.2
257.08377	0.2
275.09241	7.6
293.10379	0.8
313.11057	0.2
348.08932	0.2
449.14529	2.7
467.15683	1.3
467.21362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.24556	0.2
59.01377	20.2
61.98832	3.8
62.04830	0.3
69.58167	1.0
69.58584	0.8
71.01005	0.5
71.01382	7.5
72.99293	0.5
73.02935	0.6
78.95898	0.8
79.95739	2.5
81.03464	0.3
85.02943	1.7
87.00867	0.9
88.98803	1.2
89.02435	10.5
91.02886	0.3
92.81036	0.3
93.03459	0.9
95.01376	0.5
96.96006	100.0
98.95606	0.5
101.02438	4.4
103.87997	0.3
111.04551	0.3
113.02456	3.4
116.92887	0.3
119.03477	3.9
125.02446	1.7
126.91451	0.2
128.03482	0.5
131.03499	0.8
134.03667	0.3
143.03522	1.0
145.44548	0.3
146.04575	0.6
149.04526	0.2
149.09731	0.7
151.00462	0.4
152.64632	0.3
153.01888	0.3
155.03409	0.4
160.12363	0.3
161.04578	1.5
163.03922	0.3
163.11302	0.3
165.00191	0.5
167.10759	1.2
173.04527	1.1
175.03877	0.3
177.99779	0.4
178.99799	0.4
179.05608	2.1
181.12335	0.4
187.02481	0.3
191.00427	0.4
191.05595	3.3
192.01245	2.1
192.99640	0.5
201.09161	0.4
203.06938	0.4
210.05424	0.3
229.08652	0.6
243.15982	1.0
245.73045	0.3
247.09711	0.6
248.03865	6.1
271.08609	0.3
273.07715	0.9
275.05688	0.5
285.04028	0.4
291.01651	0.3
291.08771	0.8
292.02798	2.7
303.05151	1.0
385.39331	0.3
400.37567	0.3
405.21283	20.6
406.21606	1.4
465.07083	0.7
465.14694	1.1
465.23370	0.3
466.08289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
59.01378	57.9
60.01714	0.6
60.99321	0.3
61.98827	10.0
68.45757	0.3
69.45029	1.9
71.01377	8.4
72.99317	0.8
73.02937	0.7
75.00866	0.7
78.95902	1.9
79.95741	2.8
83.01411	0.3
84.80785	0.3
85.02943	2.1
87.00859	0.9
89.02445	12.9
93.03450	0.9
95.01370	0.4
96.96008	100.0
96.96890	3.8
97.95927	0.4
98.19920	0.6
99.00890	0.4
101.02437	5.7
102.05619	2.4
113.02445	4.7
119.03491	6.4
121.02940	0.3
122.00942	0.3
125.02469	0.4
128.03525	2.9
131.03473	1.0
135.04486	0.4
143.03490	1.6
146.04622	2.2
149.04543	0.5
149.09689	0.3
161.04533	2.1
165.00159	0.3
167.10748	0.7
173.04514	2.1
173.05911	0.6
179.05595	6.0
191.05605	4.1
192.01263	1.6
192.06000	0.3
200.07195	0.4
203.07126	0.6
210.05472	1.5
225.14883	0.5
229.08655	0.6
247.09711	1.0
248.03889	4.2
273.07602	1.0
291.08649	0.9
292.02777	1.3
292.11804	0.6
303.05057	0.4
336.10669	0.9
405.21246	7.7
406.21613	0.5
449.19940	0.9
465.14694	5.4
465.22922	1.7
466.07794	0.7
466.14590	0.4
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
57.67204	0.5
59.01376	100.0
60.99302	1.0
61.98829	10.4
69.26541	2.2
69.26962	2.5
71.01375	10.6
72.99306	2.1
73.02937	0.7
75.00845	0.6
75.30254	0.5
83.01379	0.6
85.02964	1.6
87.00886	1.4
88.98798	9.2
88.99273	0.7
89.02440	16.7
89.99149	1.3
90.01966	1.8
90.02790	0.8
91.00362	0.9
93.03468	1.1
96.96010	10.3
97.14932	0.6
97.42156	0.5
99.19869	0.5
100.94862	0.5
101.02430	5.9
104.11801	0.5
111.04512	0.7
113.02444	4.9
119.03496	6.0
119.05063	1.6
126.90405	1.0
128.36951	0.5
131.03516	1.0
143.03511	1.5
149.04567	0.6
161.04520	2.7
163.04037	2.4
165.00153	0.9
173.04538	1.2
175.03987	0.7
177.99725	1.2
179.05603	6.5
179.07040	0.7
191.00484	0.6
191.05563	4.1
192.01266	3.1
192.75316	0.6
218.99799	0.7
229.08775	1.2
247.09814	0.7
248.03848	8.2
273.07770	2.3
292.02777	3.7
315.60013	0.5
405.21280	10.3
406.21616	0.7
418.37314	0.6
449.20847	0.6
465.16000	0.7
465.23578	1.9
466.08127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69961	0.3
56.34990	0.3
57.03422	0.4
59.01376	44.3
61.98825	19.7
69.37883	0.3
69.64519	0.8
69.64944	1.4
71.01381	7.2
71.01773	0.5
72.99314	0.5
73.02942	0.4
75.00879	1.5
78.95898	1.3
79.95732	3.0
83.01414	0.3
85.02953	1.6
86.16536	0.3
87.00871	0.6
89.02441	9.8
93.03440	0.6
95.01349	0.4
96.96006	100.0
96.96993	2.9
97.92867	0.3
98.20687	0.7
98.31487	0.3
101.02445	4.8
102.05570	1.7
113.02439	4.3
116.87297	0.4
119.03497	5.0
123.73719	0.3
128.03493	1.1
131.03520	0.6
143.03474	1.1
146.04573	1.3
149.09694	0.3
161.04527	2.2
165.00143	0.3
167.10707	0.4
173.04549	2.4
173.05887	0.4
174.03157	0.4
177.99728	0.4
179.05583	4.2
191.00499	0.4
191.05592	5.2
192.01277	2.0
193.05013	0.3
203.06953	0.5
210.05576	3.0
229.08612	0.6
243.16002	0.4
247.09657	1.0
248.03842	5.5
257.27219	0.3
273.07544	1.3
291.08691	0.7
292.02814	1.8
313.42719	0.3
405.21298	5.4
449.19830	0.6
465.07086	0.5
465.14606	3.2
465.23590	0.7
466.07895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38630	0.3
55.01868	0.3
57.03436	0.7
57.70380	0.2
58.00586	0.4
59.01378	22.4
61.98835	3.1
66.56057	0.2
69.26550	0.4
69.26952	1.7
71.01383	7.9
72.99290	0.7
73.02947	0.8
77.61145	0.2
78.95900	1.3
79.95732	2.8
83.01375	0.5
85.02956	2.1
87.00877	1.0
88.00432	0.2
88.98787	1.3
89.02443	9.9
93.03449	0.9
95.01398	0.6
96.96008	100.0
96.96999	2.6
97.95957	0.3
98.02480	0.4
98.20654	0.5
98.95613	0.3
99.04533	0.3
100.95869	0.2
101.02438	5.6
102.05578	0.5
107.01365	0.3
111.27039	0.2
113.02449	3.7
116.92860	0.3
119.03510	4.1
125.02454	2.7
125.06124	0.2
128.03534	0.6
131.03479	0.5
137.02502	0.2
143.03470	0.8
149.02470	0.4
149.04546	0.5
149.09671	0.7
151.00374	0.9
153.01929	0.9
161.04570	1.5
163.11212	0.2
163.99394	0.4
165.00140	0.5
167.10739	1.1
173.04601	1.7
174.03221	0.2
175.03983	0.3
177.01945	0.6
177.99704	0.8
178.99837	0.5
179.05609	2.1
181.12320	0.4
189.05652	0.3
191.00462	0.6
191.05606	3.9
192.01219	2.4
192.05977	0.2
192.99637	0.8
201.09297	0.4
203.07181	0.3
213.05679	0.3
225.15059	0.5
229.08727	0.6
240.36351	0.3
243.15961	1.3
247.09714	0.7
248.03865	4.7
273.07761	0.9
275.05710	0.5
285.04041	1.4
289.02670	0.3
291.08716	1.0
292.02823	2.4
303.05081	2.5
405.21274	22.4
406.21588	1.5
465.01544	0.4
465.07343	0.8
465.15036	1.1
466.08005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
59.01378	8.4
61.98829	4.2
71.01383	3.1
71.55084	0.2
71.66039	0.2
72.99302	0.4
73.02949	0.2
75.00872	0.3
78.95901	0.3
79.95740	2.8
83.01379	0.3
84.51221	0.2
85.02946	1.0
87.00866	0.4
88.98781	0.2
89.02441	3.4
93.03456	0.6
95.01386	0.3
96.96010	100.0
98.95599	0.5
99.00879	0.3
99.04451	0.2
101.02443	1.7
102.05602	0.4
113.02449	1.3
116.92860	0.7
116.93639	0.2
119.03532	1.1
125.02483	1.1
126.21926	0.2
128.03549	0.7
133.89003	0.2
134.03738	0.3
143.03482	0.3
146.04597	0.3
149.04663	0.2
149.09747	0.5
150.03244	0.2
161.04602	0.6
163.99292	0.2
165.00174	0.5
167.10751	0.7
173.04587	1.3
174.03165	0.4
177.99648	0.2
179.05615	1.1
184.97633	0.4
187.02472	0.2
191.00482	0.2
191.05589	2.6
192.01276	1.1
192.99655	1.1
193.05096	0.4
201.09264	0.2
203.07123	0.3
208.99216	0.2
210.05553	0.7
225.14926	0.4
229.08772	0.4
243.16096	0.5
247.09879	0.4
248.03844	2.8
273.07782	0.4
275.99374	0.2
285.12500	0.4
289.02423	0.6
291.08832	0.6
292.02811	1.4
363.91330	0.2
405.21344	5.6
406.21722	0.2
447.06345	0.2
454.19464	0.2
465.01514	0.5
465.07132	1.3
465.14719	1.2
465.24536	0.2
466.07956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20399	0.3
59.01379	8.1
60.02405	0.3
61.98832	100.0
69.73300	0.3
69.89584	1.5
71.01385	1.2
73.02937	0.4
73.05581	0.4
74.54856	0.3
85.02962	1.2
87.00893	0.4
89.02451	0.3
90.53953	0.3
93.03452	2.0
101.02487	0.7
111.04544	0.6
113.02458	0.6
121.02982	0.3
135.04562	0.9
137.02432	0.5
145.03052	0.5
161.02466	0.4
163.03981	0.4
173.04558	5.1
173.06017	0.4
179.03593	0.9
191.05602	4.0
209.11894	0.6
209.27065	0.3
210.12152	0.7
211.13567	0.5
224.27744	0.3
285.04507	0.4
286.04617	0.4
382.68024	0.4
464.26111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20399	0.3
59.01379	8.1
60.02405	0.3
61.98832	100.0
69.73300	0.3
69.89584	1.5
71.01385	1.2
73.02937	0.4
73.05581	0.4
74.54856	0.3
85.02962	1.2
87.00893	0.4
89.02451	0.3
90.53953	0.3
93.03452	2.0
101.02487	0.7
111.04544	0.6
113.02458	0.6
121.02982	0.3
135.04562	0.9
137.02432	0.5
145.03052	0.5
161.02466	0.4
163.03981	0.4
173.04558	5.1
173.06017	0.4
179.03593	0.9
191.05602	4.0
209.11894	0.6
209.27065	0.3
210.12152	0.7
211.13567	0.5
224.27744	0.3
285.04507	0.4
286.04617	0.4
382.68024	0.4
464.26111	1.0
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
57.03442	0.2
59.01379	10.2
60.01719	0.3
61.47176	0.2
61.98827	100.0
66.83758	0.2
68.06725	0.2
71.01384	1.9
71.55445	0.2
73.63711	0.2
75.00888	0.3
78.95909	0.6
79.95734	0.8
85.02945	0.9
87.00884	0.5
87.25685	0.2
88.98834	0.3
89.02444	2.3
91.05473	0.2
93.03449	0.6
94.83069	0.2
96.37125	0.2
96.96009	30.2
96.96896	1.4
101.02434	1.2
102.05598	0.4
108.02201	0.2
111.04528	0.4
113.02452	0.8
119.03482	0.7
120.52982	0.2
128.03503	0.5
143.03476	0.3
146.04611	0.3
161.04518	0.3
163.03989	0.6
173.04581	1.1
179.05591	1.2
191.05614	2.7
199.02667	0.2
209.11891	1.0
210.12103	0.6
227.12726	0.3
229.08670	0.4
273.07648	0.5
377.86337	0.2
404.19833	0.7
405.21402	1.0
464.22113	0.3
465.07043	0.4
465.14520	0.9
467.05685	0.2
475.90927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55753	0.4
59.01377	1.5
60.36468	0.4
61.98828	100.0
70.56108	1.0
71.01401	0.5
80.66731	0.4
85.02973	0.4
89.02457	0.5
89.36263	0.3
91.79121	0.4
101.02460	0.5
161.30809	0.4
167.40471	0.4
191.05656	1.2
209.11844	2.1
210.12285	2.1
374.14307	0.6
404.15558	0.9
425.81180	0.4
482.37122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.01382	12.0
60.01705	0.4
61.98832	100.0
62.17868	0.2
65.18238	0.2
69.42774	0.2
71.01391	2.1
73.02927	0.3
74.54852	0.2
78.95911	0.6
79.95727	0.6
83.05056	0.2
85.02960	0.6
87.00888	0.4
87.31188	0.2
88.98826	0.5
89.02448	2.5
93.03451	0.4
96.00898	0.2
96.96014	27.8
96.96890	1.0
99.00882	0.2
101.02447	1.2
102.05624	0.2
113.02448	1.1
119.03510	0.9
128.03540	0.5
137.02515	0.3
143.03444	0.3
143.51045	0.2
146.04616	0.2
161.04561	0.5
163.04002	0.5
167.03491	0.3
173.04590	1.2
173.05878	0.2
179.05576	0.8
183.30280	0.2
191.05611	2.0
204.13594	0.2
209.11778	0.7
210.12090	0.7
256.54407	0.2
273.07574	0.6
316.13742	0.2
368.09955	0.2
404.20053	0.9
405.21521	1.0
465.14630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54515	1.0
57.03450	1.0
59.01379	3.1
63.23875	1.0
66.84357	0.9
69.25182	6.7
69.25584	1.7
77.57513	1.0
78.95904	12.8
90.01569	1.0
92.74156	0.9
96.96035	1.6
99.28024	1.1
110.98546	9.6
125.09714	1.1
164.52187	0.9
167.01115	8.1
168.36177	0.9
171.10274	23.7
172.10684	1.1
185.02213	7.0
190.19632	0.9
194.98877	2.1
195.13916	5.1
208.18636	0.9
209.11801	4.4
227.12830	1.1
227.20135	4.3
241.06927	1.0
253.09297	2.1
259.20309	1.1
277.21729	29.3
277.24728	1.6
278.21951	1.2
287.04538	1.7
293.21191	1.2
295.22781	100.0
296.23160	6.1
355.29962	1.0
463.10889	1.5
463.24765	30.4
464.24969	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03424	0.8
58.00584	0.5
59.01376	20.5
61.98828	2.7
69.03423	0.4
69.18140	3.9
70.08395	0.3
71.01374	9.7
72.99303	14.1
73.02936	1.5
75.00876	0.5
79.75522	0.3
83.01376	1.3
83.05032	0.5
85.02939	3.3
87.00854	0.8
89.02432	5.7
93.03451	1.0
95.01391	1.0
101.02429	5.9
108.85573	0.4
111.04461	0.6
113.02441	4.2
119.03475	1.3
125.02443	0.5
129.01938	0.5
133.02879	0.4
141.12912	0.7
173.04526	2.4
191.05626	3.3
191.18034	1.3
199.13396	1.2
209.11864	2.0
211.07619	0.4
215.07227	0.4
217.16103	0.4
218.33977	0.4
219.17406	0.5
221.19019	0.7
227.12842	1.2
229.08711	0.8
237.18588	1.4
245.08199	0.6
265.18063	21.1
266.18338	1.0
283.19119	14.0
284.19574	0.8
285.04019	4.0
285.20599	1.4
286.04199	1.1
287.04568	1.6
301.10834	0.4
301.20200	2.9
359.11563	0.4
431.09860	0.6
458.12204	0.4
463.25473	100.0
464.25769	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	463.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71217	0.7
59.01372	1.5
61.98825	0.9
69.69391	3.4
78.95901	6.8
86.65388	0.7
98.20628	1.4
110.98541	3.3
127.11304	1.2
127.93448	0.8
140.63902	0.7
141.12848	8.7
155.14403	3.6
167.01106	6.0
209.11752	1.2
227.12930	0.8
230.14046	1.4
249.22191	8.7
295.22757	100.0
296.23099	7.0
463.24640	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10545	0.5
51.95840	0.5
57.03465	1.2
57.38647	0.5
59.01380	2.5
60.92315	0.5
69.71646	2.5
76.75565	0.6
78.95905	21.1
79.91743	0.6
80.91319	0.6
84.98560	0.6
88.76722	0.6
96.96091	0.7
97.06572	0.7
104.97461	1.5
108.52158	0.6
110.98538	17.3
113.09708	3.1
136.93964	0.6
152.99564	0.6
166.99728	0.9
167.01143	16.9
171.10301	3.7
177.12877	0.7
179.14359	1.1
181.12370	1.0
185.02187	6.2
195.13890	18.6
196.14189	0.7
209.11887	1.5
222.95253	0.6
277.21716	19.6
278.21909	0.9
293.21228	1.6
294.21561	1.4
295.22769	100.0
296.23053	5.7
400.26642	0.6
433.32401	0.7
463.24667	65.7
464.25110	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79468	0.3
57.03436	0.7
59.01368	1.5
69.63993	1.6
71.51823	0.3
78.95901	7.1
110.98521	5.6
113.09726	2.0
132.03772	0.3
167.01091	2.5
171.10278	0.3
179.14389	1.3
181.12386	0.4
185.02191	5.1
185.03754	0.6
186.28241	0.3
195.13889	16.1
196.14275	0.8
233.22629	0.4
264.48608	0.3
277.21701	16.3
278.21979	0.9
293.21359	0.4
294.21445	0.3
295.22751	100.0
296.23093	6.1
463.24637	26.4
464.25046	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.69299	0.3
67.43674	0.4
68.88885	0.3
69.03474	0.5
69.36581	2.8
69.58590	0.3
71.01379	3.1
73.02959	0.7
81.96608	0.3
83.01363	0.5
85.02948	1.0
89.02444	2.3
99.00843	0.5
101.02420	2.6
103.03988	0.4
103.93861	0.4
111.08096	0.4
113.02457	1.2
119.03504	1.0
126.06313	0.4
129.04506	0.3
151.50833	0.3
161.04527	1.1
165.12849	8.0
183.13898	100.0
184.14241	4.7
209.11780	1.5
227.12871	9.6
228.13364	0.6
233.90581	0.3
235.08260	1.1
248.11682	0.4
253.09254	4.4
255.17139	0.4
258.91473	0.3
301.16830	0.4
366.56354	0.4
445.20663	0.4
463.21841	57.4
464.22174	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76368	0.2
52.20940	0.2
53.09844	0.2
55.01876	0.3
57.03459	0.2
59.01376	5.3
60.24213	0.2
61.98820	0.4
65.09113	0.2
71.01378	3.2
71.05042	0.2
72.99291	0.2
73.02937	0.8
75.00863	0.5
80.02686	1.2
81.03453	0.8
83.01390	0.8
83.05028	4.6
84.02164	1.0
85.02936	1.3
87.00887	0.5
87.60763	0.2
89.02438	2.9
91.04021	0.3
93.03448	0.4
95.01409	0.2
95.05015	0.7
97.02907	0.3
97.06564	0.3
101.02438	3.1
109.06538	0.4
111.08156	0.2
113.02454	1.6
119.03502	0.7
125.06084	0.5
135.08131	0.6
143.03467	0.3
145.19131	0.2
147.11812	0.2
151.27176	0.2
161.04507	1.4
163.11275	3.7
165.11617	0.2
165.12865	2.4
173.04541	0.5
179.05585	0.2
181.12306	0.4
191.05620	1.0
191.10831	1.0
199.13379	0.8
209.11809	100.0
210.12148	3.9
216.62943	0.2
227.12872	18.3
228.13228	0.6
229.17632	0.4
235.08263	0.6
253.09267	14.3
254.09712	0.4
283.19025	0.3
285.04019	0.5
287.04666	0.5
398.71027	0.3
432.73874	0.2
449.76031	0.2
463.25522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.44167	0.2
57.03440	0.3
58.00593	0.3
59.01377	8.3
60.68222	0.1
61.38588	0.1
61.98824	0.2
67.26339	0.1
69.03456	0.3
71.01380	6.1
71.32882	0.2
71.33218	0.2
71.54182	0.1
72.99293	0.3
73.02939	1.5
75.00881	0.2
75.72786	0.1
83.01373	0.9
83.05037	0.3
85.02950	1.9
87.00883	1.0
89.02438	5.0
91.04015	0.2
95.01380	0.6
95.05019	0.1
97.02970	0.3
97.06587	0.5
99.00888	0.5
101.02438	6.0
102.47634	0.2
103.04024	0.3
111.04546	0.2
111.08148	0.7
113.02444	3.0
115.04037	0.2
119.03495	1.3
125.02441	0.3
131.03465	0.2
133.05109	0.4
137.54208	0.1
139.79015	0.1
143.03476	0.6
157.05049	0.2
161.04552	2.0
163.11386	0.2
165.12834	7.9
166.13167	0.3
173.04614	0.3
178.02711	0.1
179.05615	0.4
183.13887	100.0
184.14221	4.3
191.05598	0.2
209.11815	1.8
227.12878	8.0
228.13194	0.4
235.08305	1.1
253.09276	6.8
254.09422	0.3
445.20801	0.7
463.21796	70.3
464.22098	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74942	0.2
55.01859	0.3
59.01382	5.4
69.69445	0.5
69.69855	1.0
71.01382	3.6
72.99294	0.3
73.02945	0.9
75.00864	0.3
80.02680	1.3
80.69080	0.2
81.03455	1.2
83.01376	0.6
83.05030	4.2
84.02174	0.9
85.02943	0.7
87.00864	0.5
89.02446	2.9
91.04094	0.2
93.03457	0.2
95.01428	0.2
95.05029	0.5
97.06623	0.2
98.20617	0.4
101.02445	3.0
113.02457	1.9
119.03486	0.6
123.92096	0.2
125.06046	0.3
135.08171	0.7
138.96175	0.2
143.03476	0.5
146.99467	0.2
147.11777	0.2
148.97704	0.3
155.10756	0.3
161.04550	1.4
163.11285	3.6
165.12862	2.3
173.04536	0.5
179.03461	0.3
179.05585	0.3
181.12346	0.7
191.05606	0.7
191.10735	0.8
199.13431	0.6
202.55965	0.2
209.11823	100.0
210.12155	4.6
227.12894	17.5
228.13255	0.6
235.08212	0.3
253.09276	14.3
254.09750	0.4
287.04788	0.3
336.37219	0.2
445.20721	0.4
463.29810	0.3
482.81705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35347	1.6
52.85921	1.4
55.01862	4.3
57.03433	4.1
58.00588	1.9
59.01377	100.0
61.98827	22.3
63.79112	1.2
69.43205	8.2
71.01378	44.8
72.01697	1.4
72.99269	1.5
73.02940	16.1
83.01362	6.8
85.02947	21.4
87.00848	2.5
89.02442	12.3
95.01392	2.9
99.00864	5.7
101.02431	55.4
113.02450	20.9
119.03471	5.4
123.08132	2.2
125.02407	1.5
135.81073	1.5
139.07607	2.2
143.03477	4.3
159.02963	6.4
161.03258	2.6
161.04539	44.4
179.05620	2.9
179.10730	1.8
184.31386	1.4
209.11664	2.3
221.11717	1.7
223.13275	1.7
241.14456	12.4
267.80649	1.6
301.16556	1.9
403.19684	87.9
404.20020	7.7
447.67969	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	463.1092
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01360	2.9
61.98824	3.6
69.03456	1.2
69.71474	3.4
70.57552	0.5
71.01383	1.5
80.21026	0.5
81.03481	0.6
87.00868	0.6
89.02441	1.1
93.03535	0.5
95.01367	0.8
96.95998	2.4
97.03001	0.7
98.20667	0.6
101.02480	1.2
107.01375	0.9
123.00871	7.6
123.40685	0.6
124.01663	24.2
125.02445	23.7
126.02695	0.7
144.49689	0.5
149.02412	0.7
149.99576	30.2
151.00276	1.7
151.04007	0.7
161.02254	0.5
161.04427	0.5
162.71620	0.5
167.03519	1.8
168.00632	87.7
169.01363	4.7
179.03488	1.6
191.05550	0.8
241.06979	0.8
269.06808	0.6
287.07803	0.6
289.31302	0.5
331.06787	3.2
419.12906	0.6
427.64578	0.6
445.09421	0.9
463.10892	100.0
464.11160	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	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03432	1.1
58.00591	0.7
59.01381	22.4
61.98841	4.1
63.02401	0.8
63.99457	0.4
65.00335	2.7
67.01899	0.6
71.01382	10.4
72.99318	2.2
73.02961	2.9
75.00866	1.7
81.03454	0.5
83.01392	4.1
83.05012	1.2
85.02953	6.1
86.00117	0.6
86.63186	0.5
87.00893	1.6
89.02462	3.7
92.29185	0.5
93.03468	2.8
93.32111	0.5
95.01387	1.0
96.51755	0.4
97.02912	0.9
97.06623	0.7
99.00899	1.7
99.08144	0.5
101.02452	9.5
107.01396	6.1
108.02180	1.9
109.02997	0.5
111.00860	1.1
111.04559	0.6
113.02463	5.2
115.00376	0.4
119.03540	0.6
123.04513	1.5
125.02412	0.8
126.82767	0.5
133.02988	1.2
134.03746	10.1
135.04491	1.5
136.01682	1.0
137.02382	0.7
145.08711	1.0
148.07608	0.5
149.06090	6.5
151.00372	19.9
151.01588	1.0
152.00746	0.6
155.03497	0.7
159.02957	0.5
161.04533	1.3
164.01163	2.2
165.01978	1.2
169.12390	0.9
173.04541	3.0
175.00360	0.9
177.01970	2.2
179.03494	0.8
183.70178	0.5
185.11879	0.9
191.05609	7.1
196.00160	0.7
196.62860	0.5
199.13377	2.7
209.11838	8.4
209.64696	0.4
227.12897	6.1
229.08575	1.3
237.18544	1.0
253.09370	2.6
257.11816	1.6
265.18216	0.6
283.19196	3.5
284.03506	0.6
285.03979	6.6
286.04492	3.5
287.04642	4.8
289.07324	0.9
301.07175	56.1
301.20175	5.2
302.07455	3.5
325.07248	0.7
343.08194	1.8
359.74435	0.5
378.01868	0.5
403.23642	0.6
423.86887	0.5
445.24387	1.8
461.07480	0.6
463.25504	100.0
464.25967	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	462.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01377	5.0
61.98828	100.0
68.30638	0.4
69.56479	1.8
69.56887	0.7
71.01389	1.0
71.32639	0.4
74.18102	0.3
75.00881	0.4
78.95905	10.0
85.02953	0.5
88.51182	0.4
89.02457	0.5
93.03465	0.8
96.96003	0.5
96.96976	0.9
98.20657	0.6
101.02464	0.9
109.06615	0.6
113.43170	0.3
131.48993	0.3
151.00368	0.7
151.72127	0.4
152.99591	4.1
156.13026	0.3
171.00629	4.7
173.04533	1.9
191.05579	2.0
207.10272	1.2
208.10666	1.4
209.11887	1.5
216.24077	0.3
225.11385	1.2
226.11713	1.6
227.12869	0.6
253.09435	0.4
285.03986	2.5
286.04367	6.4
287.04578	0.7
347.05795	0.4
349.05957	0.4
396.89633	0.4
462.07617	0.7
462.20853	1.4
463.20969	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	461.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41040	1.1
58.00596	1.1
58.09456	1.0
59.01383	12.2
61.98833	1.4
63.87720	1.0
69.95432	4.3
71.01387	18.7
73.02943	3.7
75.09939	1.2
78.95901	1.8
83.01391	1.6
85.02972	2.9
89.02449	14.3
101.02451	14.8
113.02450	3.2
119.03482	2.8
119.04256	1.0
131.03482	1.3
146.69409	0.9
152.29008	1.1
152.99707	1.1
163.06117	5.3
181.07187	100.0
182.07562	1.9
198.58739	0.9
225.11542	1.2
279.23206	6.1
285.04028	17.1
286.04251	1.5
293.24908	19.8
294.25171	1.9
403.85248	1.0
461.07065	2.1
461.26685	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	462.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
61.98830	100.0
63.62472	0.3
71.01374	0.8
78.95906	2.8
84.37144	0.3
86.86517	0.3
93.03479	0.4
96.96004	0.4
98.20631	1.0
109.06512	0.3
111.22569	0.4
113.02511	0.3
142.99872	0.5
152.99606	3.0
153.00752	0.4
153.93944	0.3
155.19334	0.3
163.11296	0.4
171.00621	0.4
173.00929	0.5
173.04588	0.5
174.01669	2.3
201.52237	0.3
207.10301	1.0
208.10649	0.7
209.11868	1.2
225.11305	0.4
226.11696	0.6
253.09273	0.4
279.85532	0.4
280.10010	0.3
285.04059	1.9
286.04395	3.0
321.13455	0.5
462.07758	0.4
462.20807	1.0
463.20963	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	461.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00812	0.5
57.03450	1.5
59.01377	28.1
61.98837	4.5
67.01883	4.7
68.38132	0.6
69.03468	1.5
69.20471	3.9
69.20879	1.5
71.01377	5.5
73.02940	0.6
74.02536	0.6
78.95907	1.2
81.03480	0.6
83.05010	0.7
85.02945	4.5
87.00869	0.8
89.02455	1.8
91.04012	5.7
93.03455	25.1
96.96027	1.3
97.02927	1.0
97.06586	0.6
98.20673	1.2
99.00923	0.6
101.02453	1.9
109.02971	0.6
109.06590	1.6
111.00880	0.7
111.04526	4.3
111.10233	0.6
113.02469	2.4
127.11259	0.6
133.02927	2.7
137.02432	5.4
151.00323	0.9
152.99580	1.4
155.03497	5.1
163.11253	1.1
165.12839	0.7
171.10287	7.0
173.04538	100.0
174.04892	2.3
174.06366	0.6
175.02467	0.6
175.04094	1.1
191.05685	0.8
195.13971	0.8
196.14368	0.6
201.11273	0.7
206.12636	0.6
207.10263	5.6
211.13455	2.7
223.13382	7.8
224.13739	7.3
225.11295	2.2
225.13977	6.0
229.14417	1.9
239.12918	0.8
253.09279	2.1
254.09642	1.2
255.09819	1.5
285.04034	36.9
285.20795	0.7
286.04349	2.4
287.22263	27.1
288.22601	1.5
291.19565	1.2
299.05606	0.8
309.20648	4.9
327.04892	0.7
327.21744	29.5
328.22006	2.5
401.25345	0.8
461.07001	4.4
461.20303	3.1
461.27451	22.1
462.27756	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	13.8
62.79002	5.3
71.00544	5.3
71.56780	5.8
75.77990	5.0
78.95889	7.6
106.16686	5.0
135.02986	10.3
156.14117	6.0
175.12906	5.0
207.10347	9.8
219.49818	5.1
225.11314	9.0
285.04041	100.0
293.21255	16.1
458.29291	5.5
461.07047	17.1
461.20364	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	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64734	0.5
50.86077	0.5
57.03430	1.6
59.01377	58.8
60.01701	0.7
61.98828	8.6
63.02394	1.4
65.00314	1.2
69.03413	0.7
69.76340	0.9
69.76753	1.9
71.01382	8.7
72.99310	1.6
73.02956	3.1
73.10709	0.5
75.00882	0.8
78.95892	0.6
83.01389	1.1
84.04987	0.5
84.98582	0.5
85.02950	7.6
87.00880	2.0
89.02432	3.2
91.04004	5.0
93.03443	1.4
95.01401	1.6
96.95992	3.0
97.02964	1.6
97.06580	0.7
97.39581	0.5
98.20700	0.6
99.00882	1.2
101.02431	5.0
105.03477	0.7
107.01388	1.1
109.02934	1.1
109.06580	3.9
111.00874	0.7
113.02439	6.2
115.00391	0.9
117.02000	0.5
119.05054	0.6
121.02962	0.7
130.55548	0.6
131.03526	0.7
133.01414	0.7
133.02940	6.2
135.04515	0.8
137.09718	1.3
143.03476	0.6
149.02438	1.8
151.00348	4.2
153.12836	1.6
161.04526	0.7
163.11227	1.9
171.10265	7.9
173.04536	2.5
175.02473	1.5
175.04008	1.9
179.05653	0.5
181.12325	0.9
183.13857	0.5
191.05605	1.5
195.13901	1.0
197.05862	0.6
197.11792	2.8
198.69310	0.6
199.03943	1.9
201.01993	0.7
207.10254	10.9
208.10503	0.7
211.13394	1.6
217.05022	1.3
222.15228	0.5
225.11334	6.8
229.14400	0.8
230.82289	0.5
241.04956	0.6
243.02943	0.7
253.09279	2.8
268.03720	0.7
284.03323	0.8
285.04028	100.0
286.04410	7.9
291.19565	0.8
299.05548	1.5
309.20673	3.2
327.05182	0.7
327.21738	28.5
328.22266	1.2
357.06076	0.8
375.20285	1.8
399.06491	0.6
401.25168	1.1
417.21213	7.4
419.26559	0.8
461.07214	11.3
461.20053	5.4
462.07483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52838	0.3
57.02139	0.3
57.03445	3.8
59.01377	2.1
69.63787	1.9
78.33494	0.3
78.95908	6.7
97.06593	0.6
109.06583	0.8
110.98540	6.1
113.09733	14.7
114.10070	0.6
121.10250	1.1
136.61790	0.3
139.11288	1.4
149.09720	0.5
152.99652	0.5
160.91025	0.3
167.01195	2.3
167.10793	2.3
171.10283	2.8
177.12831	0.9
179.10776	2.1
183.13870	0.7
185.02197	5.5
195.13904	2.4
196.14279	0.3
207.10345	0.4
209.50043	0.4
249.22191	2.0
275.20175	3.4
285.04132	1.9
293.21231	100.0
294.21594	6.1
339.13333	0.4
341.38226	0.3
461.23108	16.5
462.23566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01534	0.4
55.01875	0.6
57.03431	0.7
59.01377	13.0
61.98822	1.3
63.02379	1.6
65.00330	1.6
69.03439	0.5
71.01378	6.3
71.56234	0.6
72.99296	1.0
73.02944	1.4
75.00872	2.2
81.03450	0.7
83.01392	1.9
83.05019	0.6
85.02946	5.2
87.00858	1.9
89.02438	3.2
93.03455	1.8
95.01364	1.5
95.04995	0.8
97.02940	3.5
97.06552	0.5
99.00876	4.5
101.02441	3.9
103.00423	0.6
107.01386	3.7
108.02138	0.8
109.02930	1.8
109.06583	10.9
110.03740	1.0
111.04496	0.4
113.02448	5.5
115.00340	0.5
118.58553	0.3
119.03506	1.1
119.05009	3.6
121.02927	0.6
121.06582	0.8
123.04507	0.6
125.02422	0.7
125.09695	0.8
129.01915	0.4
129.67966	0.4
130.41861	0.4
133.02959	6.4
135.08136	1.6
136.05365	0.6
142.02737	0.7
143.03477	0.6
145.02960	0.6
146.85228	0.3
147.69495	0.4
149.02415	1.3
151.00362	8.3
152.01143	0.9
153.01921	1.2
161.04523	1.3
161.09676	1.0
161.47829	0.4
163.11287	7.0
165.12791	0.3
166.40852	0.4
168.51962	0.3
171.04460	0.5
173.04594	3.0
175.02486	1.1
175.03986	1.8
177.01910	1.1
179.10742	0.7
181.12334	5.4
187.03981	0.5
189.04015	0.6
189.09212	0.8
191.05571	1.8
192.00594	0.5
197.05913	0.5
197.11844	0.6
199.04004	2.5
199.13287	0.4
201.01950	0.6
207.10245	42.6
208.10643	1.9
211.04070	0.5
213.05515	0.8
217.05031	1.1
217.79308	0.4
225.11305	41.6
226.11591	2.4
228.27713	0.4
229.05145	0.4
235.08218	0.5
241.05048	0.9
243.03244	0.4
243.12363	3.3
253.09302	7.9
255.02977	11.5
256.03400	0.5
257.04596	0.6
268.03732	1.8
269.04489	0.8
271.06100	11.1
272.06470	0.7
283.02469	8.3
284.03131	2.3
285.04025	100.0
286.04367	5.2
297.03973	2.1
298.04874	2.5
299.05533	1.3
299.14948	1.0
313.03748	0.7
315.06955	0.5
327.05057	1.0
341.06488	0.5
357.06161	1.0
369.06464	0.5
446.08676	2.4
461.06540	6.2
461.11047	10.5
461.20294	28.3
462.07117	0.6
462.11743	0.6
462.20694	2.6
462.26724	0.6
487.21442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1302
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
58.80513	0.3
59.01371	1.6
61.98795	0.4
64.23809	0.3
70.44519	0.6
71.01392	1.8
73.02927	0.7
83.01385	0.4
87.60035	0.3
89.02465	0.8
96.96002	1.9
99.00881	2.6
101.02445	1.3
108.02174	25.4
109.03024	0.6
113.02441	0.7
116.30498	0.4
123.00903	0.5
123.04530	13.5
124.04861	0.5
127.05201	0.3
152.01149	59.5
153.01657	1.6
161.04529	1.0
167.03493	100.0
168.03792	2.7
191.05583	1.0
285.03848	0.4
293.09164	0.3
300.55832	0.5
329.08795	3.0
461.12979	37.0
462.13412	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	461.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.5
56.76405	1.3
57.03445	4.2
58.00573	1.9
59.01374	42.2
68.46136	1.5
69.03444	1.4
69.47361	2.1
69.47768	7.2
71.01376	64.5
72.99317	1.9
73.02937	24.8
73.52084	1.2
75.00858	2.0
83.01386	11.4
85.02945	36.1
87.00861	2.3
89.02444	9.5
94.85455	1.2
95.01378	5.7
97.02959	1.7
98.19857	2.5
98.59356	1.3
99.00880	9.3
101.02434	60.7
105.40667	1.3
113.02441	33.0
125.02416	3.0
129.01987	1.6
131.03520	2.8
143.03468	3.7
159.02975	6.2
161.04547	36.1
191.05650	1.3
269.10281	100.0
270.10651	4.2
373.04709	1.3
401.14471	81.2
402.14819	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03426	0.3
59.01381	100.0
60.01714	1.3
61.01798	0.2
61.98840	1.4
69.03464	0.5
69.66192	1.8
71.01388	2.8
73.02946	3.2
83.01410	1.1
85.02943	1.8
87.00872	0.3
89.02467	1.0
91.04028	0.8
95.01402	0.3
97.02956	0.4
97.06614	1.1
98.19898	0.3
99.00894	0.5
99.08169	0.5
101.02447	3.9
101.06138	0.4
107.01376	0.4
109.06615	0.8
113.02442	1.8
114.82278	0.3
118.90675	0.3
125.02472	0.5
131.03598	0.3
133.02956	1.3
143.03564	0.4
149.02527	0.6
149.04585	0.6
151.00404	0.6
153.12851	14.1
154.13304	0.4
161.04576	0.9
163.11353	0.5
168.00677	0.4
171.10280	0.5
175.03976	0.4
179.10776	4.8
179.12231	0.4
181.12343	0.5
197.11830	26.9
198.12175	1.0
199.04155	0.3
207.10274	1.9
211.20731	0.3
221.11832	0.5
225.11295	1.6
229.14577	0.4
253.09384	0.5
285.04065	21.6
286.04468	1.1
309.20682	0.5
317.27151	0.3
327.05176	0.4
327.21786	3.4
401.25571	0.5
419.26178	0.4
426.17917	0.3
461.06857	2.2
461.20532	1.0
461.31311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20389	0.4
51.93365	0.4
55.09285	0.4
55.36137	0.4
59.01382	4.2
61.98808	0.6
63.02400	0.9
65.00324	0.8
68.16467	0.4
69.55505	0.4
69.68852	1.9
71.01388	3.0
72.99326	0.6
73.02925	0.5
75.00878	1.0
83.01389	0.5
85.02949	3.0
87.00883	1.1
89.02432	1.2
93.03460	0.5
95.01393	1.5
95.04977	0.5
96.40685	0.4
99.00893	1.2
101.02410	1.0
103.00371	0.5
105.03464	0.8
107.01392	2.0
108.02205	0.5
109.06580	0.8
113.02429	3.9
117.01912	0.4
119.03542	0.4
121.02961	1.3
124.07499	0.4
132.02159	0.9
133.02945	7.0
133.03894	0.5
134.03732	1.5
135.00883	0.6
135.04578	0.6
145.02962	0.5
147.04521	1.3
148.01636	0.5
149.02460	2.7
151.00371	3.0
151.36269	0.5
163.00389	1.7
163.11333	0.6
164.01089	0.5
165.01945	0.6
171.04466	0.7
173.04558	0.9
175.02600	0.8
175.03923	2.0
179.04764	0.4
185.06056	0.5
189.01901	0.6
191.03523	1.0
197.06071	0.4
197.11636	0.6
199.04005	1.8
199.09361	0.4
201.01976	1.2
207.10309	2.9
213.05649	0.7
217.04906	0.8
225.11298	9.1
227.03438	0.6
229.04997	0.7
239.03397	0.5
241.05016	1.5
243.02895	0.9
253.09232	1.4
255.02968	1.7
257.04709	0.5
263.12936	0.9
268.03726	0.5
269.04489	1.5
270.05304	1.3
284.03235	1.3
285.04022	100.0
286.04373	6.3
296.03360	0.7
297.03989	7.6
298.04788	49.7
299.05228	4.0
308.03287	0.7
309.03918	2.0
311.05573	0.6
313.03598	0.5
313.07132	8.8
323.05426	0.8
326.04297	5.6
327.05023	1.7
341.06631	66.7
342.06952	4.2
353.06561	1.3
356.05301	0.6
357.06046	1.0
371.07690	2.6
461.05936	3.1
461.11786	25.2
461.20184	2.1
462.11237	1.8
475.70670	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	461.072
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
58.54064	0.2
59.01380	1.9
63.02376	1.0
65.00321	0.8
68.99807	0.2
69.40716	1.4
71.01373	2.2
71.75979	0.2
72.99310	0.4
73.02916	0.3
75.00864	0.7
83.01389	0.4
85.02956	2.5
87.00858	1.0
89.02444	0.4
95.01377	0.8
98.20594	0.4
99.00880	1.0
103.00336	0.3
105.03421	0.5
107.01365	1.3
107.49454	0.3
109.02925	0.6
113.02433	2.9
115.00393	0.2
117.01934	0.4
121.02932	0.6
133.02951	5.2
135.04536	0.3
149.02448	1.4
151.00363	3.5
175.02431	0.6
175.03976	2.1
177.01807	0.3
179.82291	0.2
183.07619	0.2
197.06088	0.3
199.04013	2.0
201.01866	0.5
212.04671	0.3
213.05554	0.5
215.03445	0.4
217.04968	0.9
229.04924	0.4
237.25352	0.2
240.04372	0.2
241.05003	0.6
243.02934	0.4
257.04544	0.3
284.03189	0.4
285.04010	100.0
286.04367	6.4
298.04599	0.2
327.05157	1.2
355.04404	0.4
357.06088	0.9
369.05548	0.3
399.07071	0.3
461.07211	12.9
462.07666	1.3
464.38898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2902
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
67.66245	0.3
71.74143	0.2
100.75546	0.2
107.05025	30.0
108.05344	0.6
147.08194	0.6
163.11287	100.0
164.11607	3.2
238.09995	0.4
246.50003	0.3
276.34518	0.2
280.14587	0.6
283.17017	27.4
284.17392	1.8
295.17017	14.5
296.17480	1.0
459.29007	79.9
460.29388	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	459.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	3.2
59.01375	41.7
71.01384	33.2
71.56242	2.5
72.49225	1.9
85.02936	3.3
85.53604	2.1
89.02440	47.5
92.85003	2.3
101.01385	2.0
101.02464	11.9
103.37503	2.1
107.05030	3.1
107.81437	2.3
113.02451	7.4
119.03477	8.1
143.03500	4.8
149.04523	2.1
152.99622	2.3
161.04538	4.7
163.11226	7.7
179.05594	18.6
279.23267	100.0
280.23566	7.0
283.17041	4.4
361.23434	6.2
459.28482	2.7
459.34137	2.6
481.65231	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
56.87165	0.1
57.03458	0.8
57.73137	0.1
58.00599	0.5
59.01377	100.0
60.01694	0.9
60.80690	0.1
61.98831	0.6
69.03454	0.3
70.51080	0.3
70.51454	0.2
71.01378	10.2
71.05043	0.3
72.01717	0.2
72.51080	0.2
72.99324	0.5
73.02943	3.0
78.53729	0.1
83.01385	1.4
85.02951	3.3
85.91007	0.1
86.00105	0.2
87.00873	0.7
87.04502	0.9
89.02438	5.2
93.03444	0.3
95.01390	1.0
97.02964	0.4
97.06617	0.2
99.00878	1.5
101.02434	7.5
101.06076	1.8
101.21054	0.1
106.26666	0.1
110.40945	0.1
111.00881	0.4
113.02440	4.6
119.03494	1.3
125.02405	0.7
131.03510	0.4
142.02855	0.1
143.03528	0.6
149.04573	0.7
155.50459	0.2
159.02975	0.5
161.04539	3.2
173.04599	0.9
179.05568	0.9
191.05661	0.7
219.05695	0.2
220.07970	0.2
223.13429	0.4
255.03059	0.6
255.19632	1.0
278.58823	0.2
283.02524	0.4
297.20712	1.2
363.21707	0.2
381.23013	0.2
399.23837	6.0
400.24353	0.6
417.24896	8.9
418.25235	0.7
459.30380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03447	0.9
58.00592	0.4
59.01377	100.0
60.01707	1.2
61.98830	1.6
63.44317	0.2
67.01904	0.3
69.66344	1.5
71.01381	10.3
72.01690	0.4
72.99325	0.8
73.02945	2.9
75.00862	0.4
78.95943	0.4
83.01396	1.1
85.02948	5.1
87.00893	0.9
87.04540	1.1
89.02433	2.3
91.72622	0.2
93.03458	2.2
95.01404	1.0
95.39121	0.2
96.96010	0.5
97.06606	1.1
99.00884	1.4
101.02437	4.1
101.03017	0.3
109.02998	0.7
111.00893	0.4
111.04533	0.5
112.98843	0.4
113.02441	7.8
115.00379	0.4
119.03521	1.0
119.05025	0.5
121.02926	1.8
125.02480	0.3
127.04089	0.4
130.08821	0.3
131.03502	0.3
133.03012	0.3
134.03745	0.3
135.04553	0.3
143.03510	0.5
155.03493	0.5
159.02956	0.4
161.04553	3.5
163.03995	0.4
171.10333	0.3
173.04524	4.2
174.01706	0.9
174.04968	0.4
174.32451	0.3
175.02562	0.3
178.02646	0.3
179.03481	0.5
179.05612	0.3
189.77769	0.3
191.05591	2.7
192.05968	0.3
211.13483	0.4
223.13399	1.6
237.15005	0.4
242.05139	0.3
255.02969	2.6
255.05095	0.3
255.19763	0.6
283.02487	2.1
285.17184	0.3
313.58514	0.8
343.21246	0.7
369.23105	0.3
377.18866	0.3
399.19373	0.6
399.23984	8.1
400.24158	0.5
417.25409	3.3
418.26007	0.3
421.22107	0.3
449.64597	0.3
459.22067	5.8
460.22891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30624	0.3
51.73936	0.2
52.20755	0.2
53.15402	0.2
53.46616	0.2
55.01871	0.7
57.03441	0.8
58.00605	0.4
58.71849	0.2
59.01376	100.0
60.01718	0.8
61.98828	1.2
69.03460	0.3
69.32843	2.4
69.37430	0.2
71.01379	14.1
72.99314	0.6
73.02942	4.1
75.00897	0.3
83.01387	2.1
83.83253	0.3
85.02946	5.8
87.00886	1.2
87.04523	1.1
89.02438	6.2
93.03462	1.1
95.01385	1.5
96.89322	0.3
97.06612	0.6
99.00868	1.6
101.02436	9.7
101.06070	2.4
109.02982	0.4
111.00928	0.3
111.04527	0.4
112.01712	0.5
113.02444	7.5
119.03490	2.4
125.02444	0.8
135.04581	0.4
143.03526	1.0
149.13345	0.4
159.03017	0.6
161.04541	5.1
164.67189	0.3
164.95651	0.3
173.04558	1.4
179.05647	1.2
191.05550	1.6
223.13385	0.4
253.08838	0.3
255.03053	1.2
255.19809	0.9
259.56790	0.3
283.02628	1.2
285.20792	0.4
286.08023	0.3
297.20810	0.5
351.21829	0.3
381.22821	2.7
399.23843	7.5
399.28622	0.5
400.24277	0.8
417.24902	8.7
418.25528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.70119	0.2
51.70374	0.2
55.01886	0.4
55.53485	0.2
56.33706	0.2
57.03460	0.4
58.00603	0.3
59.01381	100.0
60.01720	0.8
61.98839	0.7
69.03468	0.2
69.27287	1.0
69.27695	0.6
71.01382	6.7
72.99329	0.6
73.02947	2.7
80.62314	0.2
83.01392	1.3
85.02962	2.8
87.00879	0.6
87.04532	0.6
89.02454	3.0
89.02956	0.3
93.03481	0.3
95.01404	0.7
97.02953	0.3
97.06584	0.3
99.00903	0.8
101.02440	5.5
101.06093	0.8
107.25973	0.2
111.00925	0.5
113.02438	3.0
119.03488	1.0
125.02471	0.6
137.02507	0.2
143.03548	0.5
159.02956	0.3
161.04581	2.4
173.04594	1.1
179.03543	0.2
179.05634	0.7
191.05643	0.6
192.57164	0.2
222.51994	0.2
229.62709	0.2
242.55199	0.2
255.03075	0.4
255.19743	0.5
283.02472	0.5
297.20831	0.2
351.21805	0.3
381.22629	1.0
399.23859	3.3
400.24130	0.3
417.24951	4.4
418.25421	0.4
459.25876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
57.03438	0.9
58.00595	0.3
59.01376	13.2
61.98533	0.3
61.98829	3.3
67.01880	0.5
69.03448	1.9
71.01379	6.0
71.05006	0.5
71.56063	0.2
72.99303	0.4
73.02943	1.2
83.01389	0.9
83.05001	0.3
85.02962	1.7
85.06577	0.5
87.00868	1.0
88.93208	0.2
89.02438	5.1
91.03989	0.2
93.03456	1.9
93.40553	0.2
94.03812	0.3
95.01386	0.5
95.05041	0.2
96.95993	0.2
97.02916	0.4
97.06586	0.5
99.00864	0.4
101.01791	0.4
101.02443	6.0
109.06564	0.6
111.04482	0.7
111.08112	0.2
113.02447	2.9
119.03465	1.6
121.10265	0.2
125.02402	0.2
125.09684	0.5
135.04462	0.2
137.02419	0.3
143.03552	0.5
149.09737	0.4
153.09186	0.3
155.03435	0.3
161.04556	2.2
161.13440	0.4
162.05046	0.2
167.10757	2.8
173.03120	0.4
173.04541	6.1
174.04893	0.2
177.12831	0.4
179.05592	0.6
179.10808	1.4
179.14398	3.4
187.11159	0.3
190.54152	0.2
191.05608	1.4
192.05954	0.3
195.13893	10.2
196.14194	0.4
205.12326	8.9
206.12668	0.5
223.13377	100.0
224.13731	4.9
235.08234	0.5
253.09273	23.2
254.09560	0.6
255.02936	1.1
283.02365	0.9
284.03235	0.4
285.20764	1.7
311.95355	0.2
325.09692	0.7
325.20267	0.4
352.23907	0.2
399.23969	0.5
459.22028	6.5
460.22742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
56.18940	0.1
57.03451	0.6
58.00602	0.3
59.01380	16.6
60.01724	0.2
61.80978	0.1
61.98837	0.9
69.03458	1.9
71.01380	4.7
71.05018	0.7
71.56160	0.1
72.99313	0.2
73.02939	1.3
81.03462	0.2
83.01405	0.5
83.05058	0.4
85.02944	1.2
85.06591	0.5
87.00896	0.8
89.02445	4.2
93.03472	0.7
95.01411	0.5
95.05042	0.2
97.06611	0.4
99.00900	0.3
99.04503	0.2
101.02448	4.4
101.03104	0.3
108.05811	0.2
109.06600	0.5
113.02449	2.3
114.47552	0.1
116.92883	0.2
117.34138	0.1
119.03512	0.9
125.02470	0.2
125.09750	0.5
131.03487	0.2
133.05042	0.3
135.04579	0.2
135.11830	0.3
141.09261	0.3
143.03494	0.4
147.45651	0.1
149.04553	0.2
149.09720	0.5
161.04543	2.0
161.13365	0.2
167.10780	3.1
173.04622	1.0
177.12840	0.5
179.05605	0.4
179.10828	1.1
179.14420	3.4
179.15889	0.3
180.14864	0.1
190.51295	0.1
191.05634	0.7
195.13910	10.0
196.14272	0.3
205.12338	9.0
206.12703	0.5
216.77330	0.2
223.13394	100.0
224.13727	5.2
229.42517	0.1
235.08345	0.8
253.09293	17.4
254.09680	0.6
255.02975	0.7
281.32172	0.2
283.02368	0.7
399.23883	0.8
417.24792	0.5
459.22247	5.8
460.22501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
58.00589	1.0
59.01379	100.0
60.01714	3.1
61.01796	2.6
61.98826	1.2
67.10096	0.7
69.65585	4.8
71.01382	29.3
72.99303	1.9
73.02948	30.0
74.03279	0.9
81.03466	0.9
83.01382	7.9
85.02948	8.5
87.00887	2.0
89.02447	7.4
93.03467	2.4
95.01387	2.1
96.96027	1.5
97.06582	1.0
98.20625	1.4
99.00891	2.5
101.02439	26.9
102.02795	1.0
102.71507	0.8
109.02922	1.1
111.04571	1.2
113.02452	10.2
119.03508	3.2
119.05049	1.3
124.01739	0.8
125.02426	1.9
126.44413	0.7
131.03505	2.3
135.04489	1.1
137.02455	1.2
143.03484	2.9
149.04565	1.5
155.03575	1.4
159.03036	1.0
161.04546	6.5
163.03886	1.2
165.23158	0.8
173.04559	8.1
174.01746	1.1
179.03490	1.0
191.05565	2.9
193.12302	2.6
223.13368	2.5
255.02939	2.6
283.02548	3.0
285.17249	1.4
313.58356	0.9
373.18552	2.7
399.23929	8.5
400.23700	0.9
403.79028	0.8
415.19754	17.3
416.20004	1.6
417.25098	7.8
459.21457	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	459.0937
Annotation	Apigenin 7-O-glucuronide methyl ester
Peak:m/z	Relative Intensity
54.32701	0.2
56.39964	0.2
57.03437	0.5
59.01379	4.8
61.98832	2.2
63.02396	2.0
65.00320	1.0
65.67298	0.2
67.01885	0.7
68.99825	0.3
71.01377	0.8
72.01701	0.2
73.02946	0.4
83.01393	1.1
85.02959	2.9
87.00883	0.8
88.98817	0.3
89.02440	0.3
89.88311	0.2
93.03444	1.2
95.01380	0.8
96.96019	0.5
97.06565	0.2
98.19899	0.6
100.01646	0.4
101.02410	0.4
105.03447	0.3
106.76395	0.2
107.01392	2.3
109.02928	0.2
111.00867	0.7
113.02454	2.5
117.03471	5.1
119.16438	0.2
121.02982	0.3
124.47475	0.2
126.56812	0.2
127.03992	0.2
129.01938	0.6
135.04539	0.5
139.00383	0.4
149.02446	1.4
151.00366	1.5
155.03497	0.2
157.01463	0.2
159.04517	1.9
161.02432	0.9
169.06583	0.6
173.04578	2.3
174.04901	0.2
177.01945	0.7
179.03392	0.2
181.06606	0.5
183.04489	0.8
189.04089	1.2
191.05623	0.6
196.05354	0.4
197.06078	0.7
201.05574	0.8
203.03636	0.2
224.04788	0.6
225.05612	1.4
227.03490	0.6
229.11110	0.2
255.03029	2.2
268.03888	0.3
269.04553	100.0
270.04898	6.0
283.02539	1.7
311.05591	0.3
329.54962	0.2
419.39615	0.2
459.09335	0.2
459.22092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.6
60.01688	0.4
61.98831	100.0
71.01384	1.4
71.55520	0.4
73.32822	0.2
74.02490	0.4
75.88560	0.2
78.95892	0.4
81.03436	0.3
85.02953	0.8
87.00880	0.4
88.98822	0.8
93.03458	1.6
96.96059	0.3
97.06606	0.4
101.02457	0.5
111.04550	0.3
113.02471	0.5
113.69216	0.2
135.04530	0.8
153.02036	0.4
155.03516	0.3
155.56908	0.2
163.04070	0.4
166.79378	0.2
170.74596	0.2
173.04553	2.2
174.04941	0.3
177.01903	1.5
191.05617	3.0
192.05968	0.4
192.14565	0.2
193.67361	0.2
214.06552	0.2
231.98845	0.3
255.02959	1.2
262.31784	0.2
264.15164	0.3
265.15692	0.3
283.02576	0.7
313.08069	0.4
334.95071	0.2
458.25635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0931
Annotation	Apigenin 7-O-glucuronide methyl ester
Peak:m/z	Relative Intensity
53.71552	0.3
57.03428	0.5
59.01377	24.0
60.01708	0.5
61.01801	0.4
61.98817	1.9
63.02378	1.0
65.00316	0.8
65.40482	0.5
70.29869	0.8
70.30261	0.7
71.01381	3.4
73.02929	1.4
76.62054	0.4
78.47363	0.4
83.01386	1.6
83.05051	0.4
85.02948	1.8
87.00888	0.8
89.02430	1.4
89.05404	0.4
93.03436	1.8
95.01382	0.4
96.95981	0.6
97.06570	0.7
99.04533	0.4
101.02441	2.3
107.01378	2.3
111.04568	0.4
113.02435	1.9
117.03450	2.5
119.03416	0.4
119.04993	0.6
121.02915	1.1
127.03939	0.4
135.04546	1.0
137.02457	0.5
137.09645	0.5
144.58296	0.4
145.03087	0.5
148.01605	0.8
149.02428	1.5
149.99568	0.9
151.00391	3.6
155.03433	0.4
161.04517	0.8
164.15225	0.4
171.04489	1.3
172.05305	1.0
173.04529	4.7
174.01666	0.8
183.04474	0.5
184.05257	0.4
191.05611	2.4
192.05907	0.6
195.04492	0.7
196.05270	0.9
200.04663	0.8
211.04002	1.8
211.13379	1.3
212.04781	0.8
223.09732	0.5
223.13329	2.1
224.04532	0.4
235.17020	1.0
239.03456	4.1
240.04245	4.7
255.02919	2.5
267.02869	2.3
268.03738	100.0
269.04385	14.4
270.04797	0.6
281.04611	0.5
283.02399	2.6
283.06033	1.2
285.20749	0.5
311.05521	0.8
313.58316	0.5
343.21146	0.6
363.21838	0.5
399.23883	1.0
459.09314	80.8
459.22296	2.8
459.29767	1.6
460.09601	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	457.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11295	1.2
54.23370	1.1
59.01380	45.0
59.63021	1.2
69.47034	2.5
69.47444	5.9
71.01384	39.6
72.99306	1.9
85.02956	3.8
87.00887	4.8
89.02448	52.2
98.19966	2.6
101.02448	11.1
113.02451	10.6
118.40213	1.1
119.03511	8.3
131.03491	2.3
143.03532	3.0
149.04578	1.8
161.04550	5.2
179.05624	21.6
205.15979	1.9
207.17499	5.8
241.16106	1.5
277.21725	100.0
278.22028	8.0
359.22144	2.1
376.91147	1.1
413.34589	3.3
456.35663	1.7
457.33548	13.5
458.33978	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	457.3685
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
55.45794	0.7
57.54718	0.6
63.61651	0.7
67.60732	0.6
69.33562	2.9
69.33980	2.7
75.77361	0.7
112.04812	0.7
136.93668	0.7
279.98441	0.8
314.29526	0.8
445.59204	0.8
457.36847	100.0
458.37216	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	457.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.5
59.01378	100.0
60.01708	0.5
60.99304	1.4
61.98830	5.2
65.47713	0.4
65.58277	0.3
69.38893	1.7
69.39304	1.2
71.01385	1.7
72.99310	0.5
73.02937	0.7
74.02474	11.0
75.00873	0.8
78.95900	1.0
79.84978	0.4
79.95746	1.3
83.05060	0.4
85.02978	0.7
87.00869	1.8
88.98788	0.5
89.02441	0.8
93.03464	1.2
96.96008	43.4
100.04039	1.6
101.02460	1.0
111.00861	0.8
111.04476	0.4
113.02401	0.5
116.03527	12.6
125.42716	0.4
137.02425	0.7
150.12862	2.5
162.12894	1.1
163.04048	0.4
173.04565	3.4
178.12363	3.1
179.07111	0.7
180.13835	0.4
185.08115	0.6
188.23111	0.4
190.12469	0.6
191.05559	2.8
192.13881	0.4
208.13405	6.6
233.13063	0.4
257.20187	0.8
275.21313	0.8
283.15283	0.5
291.20731	0.9
293.22327	6.7
294.22702	0.8
309.21866	0.4
311.23465	0.5
335.23163	0.8
352.72220	0.4
353.24515	2.3
355.22281	0.8
378.26147	0.4
395.84549	0.4
397.23434	4.2
415.24380	1.6
457.25525	69.7
458.20056	0.5
458.25958	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	457.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04030	0.5
57.03468	0.9
58.00586	1.2
58.02981	1.6
59.01376	100.0
60.01691	1.1
60.99310	1.0
61.98829	11.0
67.01901	0.6
69.24680	4.0
69.25085	1.4
71.01382	4.7
72.99314	0.8
73.02933	3.2
74.02468	12.4
75.00888	0.9
75.80053	0.5
81.03452	0.5
82.02953	0.6
83.05019	0.8
84.04552	0.9
85.02950	3.8
87.00887	1.8
89.02462	1.4
93.03456	4.9
95.01396	1.0
96.96029	3.0
97.06604	1.0
99.00867	0.7
100.04049	2.4
101.02444	2.0
109.02969	0.6
111.00919	0.5
111.04523	1.5
113.02447	2.4
115.00404	1.2
116.03532	16.9
119.05058	1.1
123.69639	0.8
127.04108	0.6
133.03017	1.2
135.04492	1.3
137.02438	1.4
139.07545	0.6
142.01643	1.0
142.51855	0.6
148.07686	2.4
149.06119	1.0
150.12865	6.1
155.03537	0.8
159.04465	0.7
160.11331	0.9
161.04568	1.3
162.12877	1.9
173.04541	9.6
176.10835	1.5
178.12366	14.3
180.13998	0.9
185.11896	1.3
188.14478	1.5
190.12354	1.0
190.99722	0.6
191.05568	6.9
206.11800	1.1
208.13411	17.7
209.13535	0.5
230.03255	0.8
230.53421	1.6
255.18672	1.4
257.20157	1.6
266.31781	0.6
283.15613	1.3
285.04010	6.5
286.04358	3.0
287.04559	0.7
291.20520	0.8
293.22330	10.4
309.21753	0.7
351.22720	1.5
353.24323	3.8
395.25473	2.0
397.19495	0.6
409.89975	0.7
415.24417	3.4
422.22961	0.6
439.24481	1.1
457.25525	92.2
458.25934	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	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74343	0.2
55.01874	0.5
55.43494	0.2
57.03441	0.3
58.00598	0.7
59.01376	100.0
59.97958	0.2
60.01712	0.6
61.98825	0.4
62.04774	0.2
62.16853	0.2
63.12686	0.2
69.03453	0.5
70.57072	0.4
71.01378	18.0
72.99306	0.7
73.02941	13.2
83.01376	3.1
85.02936	3.6
85.41380	0.2
87.00865	1.0
89.02440	12.7
93.03453	1.1
95.01379	1.1
97.02993	0.2
97.06596	0.3
99.00883	0.5
101.02438	13.0
111.04514	0.3
113.02440	8.7
119.03493	4.4
125.02452	0.4
131.03490	1.2
135.04550	0.4
143.03485	1.5
149.04591	0.7
155.03600	0.4
161.04526	2.6
163.03978	0.3
173.04544	1.9
179.03529	0.5
179.05579	1.4
191.05592	2.5
191.07135	0.2
211.13269	0.2
290.58383	0.2
306.57321	0.2
313.08246	0.2
397.22614	0.5
415.23706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03449	2.7
57.41031	0.3
58.00594	1.3
59.01380	100.0
60.01714	1.0
61.98842	0.7
67.01896	0.6
69.03474	1.0
70.87681	0.7
71.01382	29.2
72.01733	0.6
72.99328	1.5
73.02948	29.7
74.03288	0.3
76.48537	0.3
78.95908	0.3
81.03452	0.6
83.01389	9.6
85.02953	6.0
86.03214	0.4
87.00874	2.1
89.02450	11.0
93.03457	3.3
95.01397	1.8
96.96011	0.6
97.02975	0.6
97.06575	1.6
99.00885	1.0
99.04552	0.3
101.02447	29.6
102.02814	0.4
109.02985	0.4
111.04539	0.9
113.02451	16.1
115.00394	0.4
119.03497	4.1
119.05034	0.8
125.02468	1.3
125.16860	0.3
127.04001	0.6
131.03528	2.4
133.02927	0.5
134.03676	0.3
135.04501	2.0
137.02432	0.6
143.03485	3.3
149.04564	2.6
155.03513	1.9
161.04553	8.6
163.04079	1.0
173.04544	6.9
177.12920	0.8
178.02701	0.6
179.03535	1.4
179.05623	1.6
184.14256	0.3
187.07617	0.3
191.05606	10.1
192.06049	0.5
192.27983	0.3
195.14017	1.1
202.06351	0.3
203.05670	0.6
211.13565	0.5
215.07173	0.3
221.06685	0.7
227.12897	0.3
229.01344	0.3
253.18076	11.8
254.18486	0.4
258.29626	0.3
261.09583	0.5
283.09042	0.5
293.04700	0.4
312.07480	0.3
323.18756	0.4
337.09503	0.3
341.19873	0.5
369.14212	0.4
397.22437	2.6
415.23364	2.7
433.17023	0.4
448.14230	0.3
457.17853	0.7
457.19110	0.5
457.24585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12990	0.1
59.44672	0.1
62.81242	0.1
70.69986	0.3
78.39736	0.1
98.43282	0.1
99.92580	5.3
100.92714	0.2
100.93359	3.4
100.94038	0.2
113.92622	0.3
115.92074	100.0
116.92082	3.5
116.92862	6.1
116.93721	0.2
119.56028	0.1
132.92355	1.2
142.94409	0.3
146.41307	0.1
155.95236	0.3
167.15697	0.1
172.95459	5.8
173.95522	0.3
283.26404	0.7
383.19098	0.6
384.19510	0.2
399.18326	0.4
409.20367	0.9
413.44846	0.1
439.21671	0.3
457.22614	7.0
457.32715	0.2
458.22818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03437	0.6
58.00595	1.9
59.01380	75.9
60.01707	0.5
69.03471	1.0
69.40858	2.7
71.01383	38.2
72.01737	0.5
72.99297	2.0
73.02948	37.1
81.03458	1.0
82.95444	0.4
83.01389	5.3
85.02945	6.8
87.00878	1.5
89.02444	37.4
93.03455	0.9
95.01395	2.3
96.95995	0.8
97.02972	1.3
98.19931	0.8
99.00882	100.0
100.01221	1.3
101.02445	23.5
110.94804	0.4
111.00855	0.4
111.04535	0.5
113.02451	16.8
117.05553	0.4
119.03501	4.4
125.02458	4.8
131.02531	0.8
131.03506	12.5
132.03831	0.5
143.03513	3.7
149.04558	36.8
150.04860	0.4
155.03516	3.2
159.04677	0.3
161.04572	11.3
173.04610	2.3
179.05600	0.7
191.05612	46.0
192.06001	1.1
203.05605	17.4
221.06738	1.0
228.49518	0.3
233.06656	5.1
335.09833	0.7
370.34045	0.4
397.15121	0.5
407.11194	0.4
415.16086	8.4
416.16351	0.4
457.17105	20.9
458.17566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33139	0.6
55.01878	1.1
55.69415	0.5
57.03441	1.0
58.00604	1.9
59.01382	51.4
60.01733	1.0
67.06759	0.5
70.40126	1.8
71.01382	28.4
72.99328	1.9
73.02969	1.3
75.00895	0.6
83.01405	1.8
83.05061	0.5
84.74913	0.6
85.02959	6.5
87.00895	1.6
88.98822	0.7
89.02447	30.0
93.03461	0.6
95.01418	1.6
96.96001	3.1
98.20605	0.8
99.00893	0.9
101.02450	18.4
101.03105	1.0
109.02981	1.2
111.04559	1.7
113.02449	8.8
119.03524	13.7
119.05015	18.0
121.06602	2.7
123.08173	3.5
129.07100	0.9
143.03482	1.1
149.04530	0.8
161.04567	1.4
163.04010	12.7
169.10214	0.9
171.11794	4.6
173.04619	0.9
173.09756	0.6
179.05667	2.1
189.12848	8.7
189.14450	0.7
205.05119	0.9
215.10786	1.9
233.08197	1.3
233.11926	2.6
260.68985	0.6
277.07724	1.2
277.10815	7.3
311.65872	0.7
397.11566	1.6
397.17056	0.7
413.18454	0.9
436.48547	0.6
457.17371	100.0
458.17740	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	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03447	1.9
58.00584	1.3
59.01377	100.0
61.98832	4.3
62.09315	0.7
69.03446	1.8
71.01379	30.9
72.99300	4.2
73.02947	10.4
78.95889	1.5
81.03480	1.1
83.01385	2.5
83.05085	0.8
84.95112	1.0
85.02950	19.3
87.00879	3.6
87.93812	0.7
89.02441	33.6
93.03444	4.4
95.01380	4.5
96.00926	1.1
96.01559	0.7
96.95993	3.0
97.02961	3.6
97.06580	0.9
98.19853	1.4
99.00877	35.2
101.02444	16.6
109.02941	1.5
111.00903	1.1
111.04508	2.1
113.02453	39.7
113.03258	1.9
119.03513	7.1
119.05001	0.9
125.02434	4.0
127.03996	1.1
130.08710	1.5
131.03511	8.2
135.04480	1.4
137.02444	2.5
143.03493	4.0
144.07637	0.7
149.04544	20.3
155.03484	2.9
161.04549	9.0
163.04033	0.8
173.04538	10.9
179.05609	1.9
191.05609	22.1
203.05540	0.8
206.62105	0.8
215.05602	4.4
217.08604	1.4
233.06628	6.5
270.00763	1.0
293.08679	1.8
310.36890	0.8
325.12686	0.9
326.19949	0.8
368.90936	0.9
397.14981	24.1
398.15173	1.8
415.16074	40.2
416.16476	4.2
422.22845	2.7
457.20618	1.1
457.26263	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	457.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83561	0.3
59.01375	1.2
60.67735	0.3
61.42307	0.3
70.05532	0.5
70.05933	0.9
71.01383	32.6
72.01728	0.4
78.12379	0.3
84.02361	0.3
89.02443	1.8
96.74828	0.3
98.19931	0.4
107.77095	0.3
113.20410	0.3
115.00375	100.0
116.00707	1.6
119.03471	0.7
125.01733	0.3
125.98782	0.4
179.05632	1.0
190.39287	0.4
256.52551	0.3
320.82770	0.4
341.10910	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	457.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38462	0.3
59.01384	1.0
61.92013	0.3
71.01379	30.7
72.01704	0.3
80.26186	0.3
88.34745	0.3
89.02435	2.1
101.02445	0.8
113.02493	0.4
115.00369	100.0
116.00718	2.2
119.03521	0.6
179.05618	1.2
183.69659	0.3
341.10892	5.5
342.11270	0.5
364.34412	0.4
457.11853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
61.98814	0.6
64.76110	0.3
65.01921	0.4
66.53438	0.3
67.29163	0.3
68.80435	0.3
69.31235	1.1
69.31661	2.1
71.01369	2.0
73.02933	0.8
83.33858	0.3
85.02933	0.6
87.00827	0.4
89.02444	0.9
93.03468	0.7
96.95996	2.2
99.00874	1.5
101.02431	1.4
103.45737	0.4
113.02411	0.7
119.05024	100.0
120.05350	2.8
128.03543	0.5
129.44785	0.4
145.02931	0.5
161.04610	0.4
161.06007	0.9
163.04001	52.6
164.04347	1.2
173.04518	1.3
173.05893	0.3
176.47226	0.4
191.05647	1.3
205.05013	1.4
255.49141	0.3
325.09204	0.6
372.09506	0.4
421.20532	0.7
457.13474	66.2
458.13794	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38194	0.3
53.28537	0.3
54.34088	0.3
59.01382	1.6
69.49555	2.2
71.01386	2.0
73.02944	1.0
73.62608	0.3
73.69576	0.3
89.02442	0.7
93.03451	0.6
96.96008	0.8
99.00864	1.7
101.02437	0.7
105.46530	0.3
113.02441	0.5
117.03470	0.3
119.05022	100.0
120.05370	3.0
121.03053	0.3
128.03545	0.4
133.06638	0.5
145.02905	0.4
161.06091	0.6
163.04005	50.4
164.04301	1.7
173.04510	0.4
184.39723	0.3
191.05684	0.5
205.05168	0.7
227.64891	0.3
252.00104	0.3
325.09174	0.4
457.13470	65.7
458.13824	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	455.3527
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
63.78801	0.2
70.12880	0.9
94.14362	0.2
98.19967	0.3
111.00851	0.2
129.01869	0.3
147.03006	0.2
177.03957	0.3
179.12576	0.2
204.74405	0.2
361.47659	0.2
407.33264	1.0
420.62863	0.2
455.35269	100.0
456.35614	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	456.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.2
59.01377	3.7
61.98834	1.8
63.37536	0.2
64.86366	0.2
67.01871	0.4
69.55915	1.2
69.56331	0.3
71.01382	3.2
73.02935	0.3
75.00850	0.2
78.95908	13.0
81.02211	1.8
83.01392	6.4
85.02961	0.7
87.00867	0.2
90.17080	0.2
93.03473	0.9
96.96009	1.0
96.96970	0.9
98.20605	0.2
99.00885	0.8
101.02454	0.4
110.88485	0.2
111.00886	100.0
111.58749	0.2
112.01212	1.9
113.02461	0.3
115.07691	0.2
135.04559	0.3
137.02504	0.2
139.02550	0.2
151.04054	0.2
152.99583	2.8
155.03534	0.3
171.00639	2.9
171.10216	0.4
173.04546	1.5
183.87555	0.2
191.05589	1.7
231.12463	0.2
236.16565	0.3
240.19711	0.2
248.16560	0.3
249.13524	0.2
250.13701	0.3
255.19707	1.0
276.19693	0.7
278.21188	0.2
294.20740	14.2
295.21143	0.9
306.20834	0.5
310.20230	0.7
312.21790	3.6
313.22318	0.3
324.21878	0.7
344.24411	32.1
345.24759	2.2
350.13733	0.2
396.19632	0.8
409.63971	0.2
424.17474	2.3
425.17569	0.3
456.14224	0.4
456.20175	6.8
456.26672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76465	0.4
56.21626	0.3
59.01363	0.4
61.98802	0.3
67.37904	0.3
71.01376	0.4
71.55219	0.6
78.95903	7.0
81.75323	0.3
85.35609	0.3
88.56923	0.3
96.96964	0.4
101.07804	0.3
109.06628	1.6
152.99583	14.9
160.84207	1.0
162.83911	1.4
163.11307	0.7
171.00708	0.7
171.10255	0.6
181.12299	0.5
201.08931	0.4
207.10214	1.8
211.13432	1.4
225.11340	0.7
227.03227	2.9
227.20160	100.0
228.20480	5.5
229.50398	0.3
245.04321	0.9
275.20050	0.4
293.21277	0.9
341.58438	0.4
395.15497	0.5
419.08191	0.5
420.07468	0.5
455.24139	29.3
456.24677	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	455.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15651	1.1
57.32760	1.2
59.01380	12.0
61.98823	2.5
69.03468	1.7
70.45255	1.4
70.45606	4.0
71.01386	16.3
73.02927	1.7
74.46239	1.1
76.88416	1.1
78.95888	6.9
81.03438	4.3
83.05016	4.1
95.04999	1.6
96.96956	1.6
97.02964	8.7
97.06584	1.4
107.05009	1.9
109.06590	48.0
110.03710	4.4
110.06963	2.3
117.03213	1.1
118.29185	1.3
121.06551	3.6
125.06087	1.4
125.09715	3.3
127.11298	1.6
135.08150	6.2
136.05254	1.6
142.02695	5.2
152.99586	18.2
155.10767	1.6
161.09750	1.6
163.11281	23.9
165.09113	1.4
165.12775	3.0
171.00659	1.7
171.10214	5.1
179.10727	1.2
181.12341	11.2
183.13864	7.6
185.11797	2.6
199.09744	20.1
201.11386	1.5
207.10254	64.8
208.10596	3.6
209.11774	2.3
211.13385	33.9
215.12932	1.3
225.11311	24.1
227.03282	3.2
227.20172	100.0
228.20503	5.9
243.12450	1.7
245.04352	2.4
246.04614	1.5
277.18021	1.9
455.24161	29.8
455.35172	3.9
456.24557	1.9
456.35959	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	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
56.29022	0.6
57.03441	1.9
57.62920	0.6
59.01380	44.6
61.33341	0.6
61.98833	7.3
69.03481	0.6
71.01382	42.3
72.99316	1.6
73.02950	17.9
75.00866	1.0
83.01379	9.1
85.02950	22.0
86.00084	0.8
87.00858	3.1
89.02437	9.7
93.03432	0.9
95.01379	2.7
97.02959	2.1
98.20752	1.0
99.00891	7.3
101.02445	44.0
113.02445	21.8
119.03493	1.6
121.02932	0.8
125.02442	1.9
129.01950	1.5
131.03528	1.3
131.04546	0.8
138.27557	0.8
143.03491	2.2
149.04576	0.7
159.02968	5.0
161.04552	18.2
173.04553	2.4
188.74261	0.8
191.05585	2.4
209.11855	1.2
263.14987	100.0
264.15317	5.5
297.04080	0.9
299.05573	1.0
307.14139	1.0
327.05096	3.7
395.19202	87.2
396.19656	6.5
409.83606	0.6
417.08237	4.1
419.08725	0.7
455.24387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22049	1.4
59.01377	100.0
59.53669	1.2
60.01722	1.7
61.98830	7.4
64.05985	1.5
67.01881	2.2
68.99568	7.2
69.03452	2.8
69.25661	9.6
69.26077	2.2
71.01379	40.3
72.99284	2.1
73.02945	34.3
75.00891	1.8
83.01391	9.1
83.35930	1.2
85.02949	8.8
87.00871	2.4
89.02445	8.8
93.03447	8.3
96.96003	12.1
99.04519	1.7
101.02439	36.1
111.04489	2.8
111.98031	1.2
112.98568	5.0
113.02434	14.5
114.33840	1.5
115.00377	10.5
119.03472	3.7
125.02337	2.6
127.03957	1.6
130.08649	1.8
131.03488	2.6
135.04482	1.7
137.02406	1.9
137.06097	2.0
139.27780	1.5
143.03455	3.4
149.04541	5.8
155.03506	3.2
161.04532	11.7
173.04544	21.4
174.04956	1.5
179.03485	1.5
190.09959	8.0
191.05598	28.6
191.07170	2.4
192.45424	1.3
201.11343	1.5
203.05591	1.8
206.53882	1.4
209.11752	1.8
209.29333	1.5
221.06664	3.5
233.15497	3.5
234.03078	1.8
246.36797	1.2
251.16533	3.8
265.36179	1.3
285.03915	3.2
305.00986	2.3
306.01642	3.0
321.17111	6.3
333.00412	4.7
334.01157	9.3
335.01456	4.1
349.05588	6.1
349.55957	7.2
395.20563	4.7
413.21799	4.8
430.06726	1.5
435.99792	1.5
436.05768	1.5
455.13190	1.4
455.22205	2.3
473.64374	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	455.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39507	2.2
57.72882	2.0
58.00573	2.7
59.01376	85.7
61.19052	1.8
61.98832	17.3
67.90348	1.8
69.43173	13.3
71.01378	62.7
72.99306	3.9
73.02936	6.1
83.01400	4.0
85.02942	12.6
87.00887	4.6
89.02439	100.0
90.20515	2.0
95.01385	3.3
96.96001	19.1
98.19894	3.8
98.95593	6.6
99.00878	3.7
101.02435	41.3
102.31255	1.7
113.02431	20.0
119.03489	19.2
125.02444	3.6
129.01968	3.3
131.03510	22.6
135.65669	2.1
143.03490	2.7
149.04553	73.4
161.04549	7.7
163.03951	3.4
165.01945	2.3
179.05591	14.8
191.05534	13.4
193.04993	3.1
263.11298	10.5
296.01285	2.0
311.09866	2.8
332.04337	2.0
333.10690	2.1
373.11368	3.3
395.15442	51.0
395.20197	2.8
396.15781	3.8
455.17590	2.8
455.35379	2.3
473.28586	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	453.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85913	1.0
59.01364	1.3
69.23755	1.0
69.50717	4.2
69.51148	3.2
78.95900	60.3
96.96971	4.9
102.98412	0.9
104.23537	1.0
133.53262	1.1
150.97903	1.4
152.99577	96.5
153.99821	1.1
160.84229	5.2
169.13606	1.1
171.00612	15.1
225.18581	46.7
226.18944	3.3
226.62119	1.1
227.03299	7.5
242.58421	1.1
245.04294	67.4
246.04680	2.1
418.07693	1.9
453.22556	100.0
454.22937	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	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90208	1.2
61.51264	1.1
69.35292	9.6
78.95904	48.9
96.96960	5.2
141.31670	1.2
152.99590	71.7
171.00644	20.0
225.18602	71.2
226.18906	4.1
227.03204	5.7
245.04303	100.0
246.04507	1.4
258.86700	1.1
411.02664	1.2
453.22571	58.1
454.22864	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	455.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01380	7.2
61.98826	1.0
62.30080	0.4
65.34182	0.4
65.59336	0.4
71.01383	1.9
71.56016	0.7
73.02953	0.5
74.40152	0.4
78.95902	38.5
85.02934	1.8
87.00882	0.9
93.03458	1.4
96.96027	1.1
96.96967	3.5
101.02456	0.7
111.04504	0.5
111.08160	1.9
113.02437	0.9
135.04539	0.7
150.98055	0.9
152.99585	41.5
153.99919	0.7
155.03481	0.4
156.70274	0.5
165.12836	20.8
166.13171	0.8
171.00629	7.2
173.04588	3.4
183.13890	81.1
184.14200	3.3
189.44615	0.5
191.05588	7.4
192.05931	0.7
209.11919	2.5
227.03287	3.1
227.12863	24.4
228.13225	1.1
245.04239	1.1
305.00940	0.6
333.00296	0.7
334.01157	1.9
353.30127	0.4
363.12051	2.4
381.13220	1.0
437.15842	2.8
455.16849	100.0
456.17178	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	453.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95751	0.3
59.01381	6.0
61.98827	100.0
71.01372	1.8
71.54924	0.3
73.02948	0.7
78.95906	1.4
83.01372	0.3
85.02952	0.9
88.04043	0.5
89.02448	0.8
94.29289	0.3
96.96006	21.4
99.00875	0.4
101.02445	1.3
108.02184	0.4
110.89940	0.8
110.98547	1.1
113.02462	0.8
115.00355	0.3
117.35598	0.3
118.96593	0.3
119.05070	0.8
121.02930	0.3
135.04521	0.4
149.41180	0.3
152.91855	0.3
161.04602	1.3
169.60379	0.3
173.04584	0.3
181.05037	0.3
184.97768	0.3
191.05626	0.7
279.14362	0.5
289.02478	0.7
315.07355	0.4
331.03610	0.3
375.00403	0.3
393.17853	0.6
411.19000	0.8
453.11090	1.2
453.19727	0.7
454.11133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71817	0.4
55.01884	2.1
57.03442	1.6
58.00594	1.1
59.01377	100.0
60.01712	0.5
61.73039	0.4
61.98815	1.2
69.03452	0.7
71.01379	28.5
71.25148	0.7
71.25502	0.4
72.99311	1.7
73.02944	18.6
75.00874	1.3
83.01379	6.0
83.01818	0.6
85.02946	14.1
86.00126	0.5
87.00887	1.8
88.47359	0.4
89.02439	9.4
93.03448	0.9
95.01392	2.5
95.28539	0.5
96.88714	0.4
96.95993	0.9
97.02960	2.2
97.06579	0.4
99.00871	9.0
101.02439	29.9
102.02760	0.4
109.02981	1.1
111.00884	1.2
111.04514	0.6
112.01681	0.5
113.02447	14.4
117.09217	2.9
119.03518	1.6
121.34034	0.4
122.03740	0.7
124.05306	0.5
125.02471	2.0
129.01923	1.1
131.03513	1.6
135.04558	0.6
137.06064	0.5
139.07649	2.6
143.03470	2.2
144.46400	0.4
155.03403	0.7
159.03023	3.7
159.38483	0.4
161.04552	13.1
168.07909	0.5
173.04558	2.5
187.11246	0.9
191.05595	1.2
205.12314	1.2
213.11293	1.1
261.07629	0.5
261.13306	2.9
279.14658	24.5
280.14853	1.2
321.15506	13.1
322.15906	0.5
393.17480	2.7
411.18683	38.4
412.19046	2.9
453.19730	74.9
454.20190	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	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06754	1.3
55.01873	2.4
57.03431	1.4
59.01382	39.4
61.98828	4.9
64.28204	1.2
70.87714	1.7
70.88064	2.4
71.01384	31.5
72.99327	2.0
73.02951	17.3
78.95899	1.7
83.01389	7.6
85.02943	15.3
87.00854	4.2
87.29937	1.1
89.02463	7.0
89.16215	1.3
93.03448	6.2
95.01389	2.5
97.03001	1.6
99.00877	7.2
101.02445	30.4
109.02938	2.6
111.00893	3.7
113.02456	18.0
125.02493	1.8
131.03494	1.5
143.03514	1.5
149.04504	1.2
152.99475	1.9
155.10805	1.7
157.08740	2.0
159.03008	4.1
161.04562	16.5
173.04544	14.2
182.13165	1.2
191.05667	6.4
193.24661	1.3
225.07690	1.3
235.11877	6.7
241.94685	1.1
261.13409	26.3
262.13794	1.9
279.08890	1.6
279.12207	2.1
305.12360	1.5
311.16510	1.1
342.22592	1.6
351.97073	1.2
367.16150	7.8
393.17639	100.0
394.18045	5.4
409.17072	15.0
453.18518	3.9
454.14481	3.2
454.20215	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	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03444	2.7
59.01384	35.9
67.01885	4.6
67.02751	1.3
71.01384	35.6
71.31662	3.1
71.32010	1.5
71.64820	1.5
72.99296	1.7
73.02945	12.8
81.52508	1.5
81.76463	1.4
83.01384	8.4
85.02953	18.1
87.00835	2.0
89.02447	6.2
93.03468	18.2
93.07692	1.4
97.02969	2.6
99.00883	5.1
101.02446	38.2
106.22316	1.5
111.00888	10.5
111.04510	4.0
113.02438	17.3
124.05305	2.2
137.02441	3.4
139.07629	7.1
143.03531	2.4
155.03577	2.9
159.02928	3.8
161.04576	16.9
168.07932	1.9
173.04547	100.0
174.04851	3.8
191.05655	1.7
205.12309	4.1
228.83636	1.5
261.10648	3.8
261.13422	79.3
262.13693	4.5
279.12341	6.6
312.17914	1.7
342.22806	3.6
393.17657	80.2
394.17850	4.6
453.18304	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04539	0.5
59.01374	2.0
61.98829	100.0
71.01390	0.9
71.55225	0.9
75.00877	1.6
76.07426	0.6
85.02949	0.9
96.96007	22.5
100.27993	0.6
101.02448	0.7
119.05064	1.0
134.03693	0.8
162.83905	1.1
179.84087	0.7
185.73439	0.6
191.05562	0.8
196.50778	0.5
269.36237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.0
70.83910	1.5
74.64996	0.6
75.59077	0.5
78.90488	0.5
78.95905	18.6
122.00105	0.8
140.01192	4.8
152.99571	2.1
185.34576	0.5
196.03763	10.3
196.05522	0.5
214.04839	2.0
255.23271	100.0
256.23590	7.1
283.84879	0.6
309.97006	0.6
315.75357	0.5
416.24857	0.8
452.27802	31.5
453.28189	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	453.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54687	0.2
57.03454	1.5
59.01383	4.8
60.99287	0.5
61.98830	3.1
62.24458	0.3
63.99231	0.6
64.33736	0.2
66.20362	0.2
67.01893	3.2
69.03432	1.1
69.16872	1.3
69.17295	1.2
71.01381	4.0
73.02901	0.4
79.95726	0.3
80.96524	1.4
81.03445	0.6
83.01366	0.4
83.05053	0.6
85.02968	2.1
87.00865	0.7
89.02441	0.4
93.03461	19.7
94.03778	0.3
95.01379	0.5
96.95980	0.8
97.02936	1.1
97.06593	0.4
98.02256	0.3
98.20654	0.6
99.00880	0.8
101.02443	0.5
109.02959	1.5
109.06575	0.6
111.00893	1.4
111.04520	4.5
113.02468	2.2
115.00448	0.3
119.08672	0.3
121.06589	0.5
122.03770	1.2
124.05308	1.2
125.06086	0.3
127.03989	0.5
134.03740	0.3
135.04454	0.4
137.02434	2.8
137.06049	1.4
139.07652	8.5
140.07942	0.4
147.08055	0.3
151.07631	0.5
155.03502	3.2
157.08760	0.3
163.11307	0.4
167.07231	0.2
168.07945	1.8
169.08704	1.0
173.04547	100.0
173.27052	0.3
174.04875	3.2
174.06259	0.4
182.67621	0.3
187.11302	1.6
190.10042	0.3
191.05618	0.8
202.36902	0.3
205.12334	3.7
215.11435	0.2
217.12460	0.5
249.11324	0.4
279.12372	9.0
279.15369	0.5
280.12872	0.6
305.03735	0.3
342.22812	0.4
409.17340	1.0
419.87738	0.3
427.60046	0.2
453.17960	9.6
454.18143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.5
59.01376	65.9
61.98812	7.8
67.01885	13.2
69.36288	16.9
71.01378	10.7
73.02923	2.4
81.03463	3.5
83.05025	3.0
84.54110	2.1
85.02940	8.8
87.00861	11.4
88.01174	3.1
89.02422	3.2
93.03457	73.8
94.03783	17.7
95.03906	4.2
97.06567	5.5
99.00855	3.9
101.02424	5.1
111.00857	2.8
111.04492	13.1
112.04821	6.3
113.02420	4.0
119.05005	5.1
133.02975	11.0
134.03751	64.5
135.04001	30.3
136.04225	9.1
137.02455	10.2
138.02731	4.5
142.01659	3.2
145.02930	5.2
149.02400	2.4
155.03470	10.8
156.03796	5.2
157.03960	2.9
161.02466	13.2
162.03235	44.0
163.03633	26.2
164.03743	15.8
173.04543	84.8
173.06044	4.7
174.04880	34.7
175.05019	38.3
175.41641	2.0
177.01903	3.9
178.02489	4.2
181.03865	2.2
191.05611	21.3
192.05847	8.5
193.06000	7.0
211.13213	2.3
231.10156	3.7
232.10562	3.9
233.10823	3.6
250.21114	2.3
275.09229	60.8
276.09579	56.9
277.09784	100.0
278.10086	3.1
285.03918	10.1
295.50153	2.1
314.22803	2.0
447.08752	2.7
451.15350	48.6
451.21060	5.4
452.16043	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	451.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	95.1
61.98798	30.0
62.34353	20.1
70.05129	91.4
73.02925	26.6
74.16440	27.1
77.54485	19.1
93.50909	22.9
96.95997	81.2
116.92861	100.0
116.97243	68.2
117.01910	28.7
153.33928	23.7
170.06062	22.3
199.09758	22.8
235.13367	41.2
248.98750	24.9
314.33258	23.6
399.72937	24.0
433.26010	53.4
451.27301	38.1
470.13773	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	451.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70578	3.5
59.01107	5.9
59.01381	82.1
59.62392	3.8
61.98833	100.0
69.59694	25.1
71.01384	28.1
73.02939	14.3
75.00863	5.6
78.40147	3.8
80.05370	3.9
82.95432	4.9
84.16913	3.3
85.02947	15.2
86.28159	4.5
87.00877	6.3
89.02415	18.7
90.56087	3.4
90.64114	3.5
96.96018	12.4
98.20573	7.5
99.00903	10.0
101.02464	26.7
103.23398	4.5
113.02432	16.5
131.03590	4.6
143.25922	4.1
149.04509	4.5
152.96150	4.1
161.04527	5.3
171.10223	16.4
173.04517	7.7
191.05606	17.1
319.13904	6.4
405.21002	6.1
409.17087	16.0
451.17410	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
56.99809	0.3
57.03445	0.6
58.00596	0.9
59.01379	53.0
60.01701	0.5
61.98532	0.5
61.98835	7.4
67.01873	0.2
69.03460	0.7
70.05885	0.7
71.01382	30.9
72.01704	0.2
72.95797	0.2
72.99310	1.5
73.02946	31.4
74.03269	0.3
75.00877	0.8
81.03461	0.6
82.95419	2.9
83.01387	4.2
84.95129	0.3
85.02951	4.9
87.00874	1.1
89.02444	33.0
90.02787	0.4
93.03459	0.3
95.01397	1.0
96.96006	2.6
97.02943	1.6
98.19859	0.3
99.00880	100.0
100.01214	1.2
101.02442	14.5
111.00899	0.4
111.04534	0.3
113.02451	10.5
114.02787	0.3
119.03487	2.2
125.02455	4.3
125.66615	0.3
127.03992	0.4
131.03499	12.9
143.03494	3.7
149.04555	35.9
150.04893	0.6
155.03503	3.9
161.04559	8.9
165.01949	0.3
168.64572	0.2
173.04507	0.6
179.05557	0.3
181.05064	0.5
191.05608	38.9
192.05908	1.1
193.05136	0.4
195.06589	0.3
202.89970	0.2
203.05603	18.1
204.05943	0.4
220.50627	0.2
221.06584	0.4
233.06659	5.9
293.08734	0.3
310.72284	0.2
321.89890	0.2
335.09851	1.2
370.05338	0.3
391.15747	0.5
409.17041	2.4
451.17981	9.3
452.18365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55615	1.1
59.01369	3.6
69.66862	2.0
69.67273	3.3
69.67619	0.9
71.01376	2.7
78.22973	0.9
78.86845	1.0
82.73242	1.0
84.34122	1.0
89.02444	3.7
101.02451	2.4
108.55514	0.9
108.90200	100.0
113.02427	1.1
131.73189	0.9
179.05667	1.0
206.46785	1.0
404.21512	1.0
415.14566	23.4
416.14966	1.6
451.12195	28.1
452.12772	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	451.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28876	0.6
59.01377	12.8
61.03017	0.5
61.98830	6.7
68.95789	0.5
69.31198	3.9
71.01379	23.3
72.99284	0.8
73.02936	4.0
75.00870	3.1
78.50816	0.5
82.95416	1.9
83.01390	1.7
84.95129	1.5
85.02943	3.4
85.71164	0.4
87.00887	0.9
88.04037	58.1
88.98791	0.5
89.02431	4.1
89.04405	0.6
96.96001	10.4
99.00874	7.0
101.02436	9.1
111.00833	0.6
113.02441	3.7
114.01960	2.2
115.00368	18.3
119.03467	0.8
119.04979	0.6
125.02438	0.6
128.05019	0.5
130.06621	13.9
131.03502	1.8
132.03021	43.7
136.58167	0.5
143.03555	0.6
146.06131	3.2
149.04558	3.1
156.04539	3.5
161.04535	1.3
172.07658	1.0
173.07188	82.5
174.07547	3.0
181.05054	1.0
185.27153	0.5
191.05534	4.2
200.07199	1.5
201.10323	1.1
203.05533	0.8
227.08278	0.7
243.07736	0.8
245.09366	1.4
272.09140	0.8
289.07199	0.7
292.11832	7.7
335.12491	16.4
336.10785	12.6
379.11514	0.7
391.09344	0.6
391.15814	0.9
400.57031	0.5
407.14450	2.4
409.17096	1.6
433.12491	7.8
434.12610	0.7
451.13504	100.0
452.13776	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	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74547	0.2
61.49588	0.2
63.09503	0.2
63.87617	0.2
70.13750	0.9
78.95908	4.1
110.98540	3.2
167.01187	1.7
173.75607	0.3
185.02197	3.0
185.11894	0.2
216.73064	0.2
221.91986	0.2
233.18094	0.2
263.98349	0.2
266.24902	0.2
281.24850	100.0
282.25223	6.7
287.38107	0.2
298.81793	0.2
362.90710	0.3
449.26724	9.1
450.27216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75454	0.3
59.01377	4.8
60.01707	0.7
61.98829	100.0
69.49063	2.1
71.01405	1.3
83.05045	0.9
85.02959	0.8
88.98810	1.8
89.02438	1.6
93.03470	0.8
94.03802	0.4
101.02465	0.5
111.04494	0.6
113.02509	0.4
119.03524	0.5
127.03986	0.3
146.03796	0.3
149.04565	0.3
155.03537	0.9
156.03889	0.4
158.03769	0.8
159.04507	2.0
160.04865	1.5
170.04636	0.3
173.04570	2.2
173.06049	1.0
174.04919	0.8
174.06525	0.8
175.07411	0.4
176.08002	0.4
187.07617	4.4
188.04352	0.6
188.07976	4.7
189.08383	0.3
191.05614	3.4
192.05974	1.8
201.05376	0.5
202.06285	1.3
203.06763	0.6
203.10825	1.1
204.11041	1.4
214.09544	0.3
216.07620	0.5
231.10275	1.9
232.10544	2.6
258.08514	0.4
275.09244	7.8
276.09561	16.7
277.09821	0.8
329.05768	0.4
360.06979	0.5
402.54611	0.3
407.19669	0.4
450.09885	0.4
450.15042	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
61.98830	100.0
69.51781	0.7
69.52203	1.2
71.01395	0.9
73.02957	0.3
83.70461	0.3
85.02980	0.4
89.02450	0.7
93.03455	1.3
94.03811	0.7
98.19930	0.6
99.00870	0.4
100.56651	0.3
101.02418	0.4
101.82977	0.3
109.03061	0.3
161.04588	0.3
173.04541	3.1
174.04951	1.3
174.06927	0.3
175.05170	0.3
175.07385	0.3
187.07545	0.3
188.08008	0.4
191.05595	2.6
192.06039	1.1
203.06688	0.4
227.20389	0.3
231.10320	0.3
232.10609	0.7
275.09409	0.9
276.09576	2.2
345.64441	0.3
376.40125	0.3
450.14993	0.9
450.24533	0.4
451.13861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98265	0.3
65.35217	0.3
67.97509	0.3
71.54755	0.6
78.95896	4.6
83.93328	0.3
98.96776	0.3
110.98546	3.4
167.01151	1.7
174.63425	0.3
185.02159	3.1
194.87779	0.3
281.24854	100.0
282.25211	7.5
384.48251	0.3
449.26749	9.7
450.27057	0.6
457.31256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87874	0.5
65.84653	0.5
70.28359	2.2
76.63992	0.6
78.95895	25.0
93.40569	0.5
96.95972	1.1
110.53054	0.5
110.98524	44.5
112.19340	0.7
130.40999	0.6
152.99583	3.5
167.01114	3.5
177.43791	0.6
185.02185	100.0
186.02498	1.8
207.46378	0.6
281.24814	37.0
282.25189	1.9
320.01056	0.5
353.80054	0.6
449.26776	7.2
449.32550	1.1
450.27393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55373	0.6
57.03450	2.6
59.01381	94.1
59.31310	0.9
60.99305	0.9
61.98830	1.9
63.36526	0.9
67.01895	7.2
69.03450	1.7
69.52477	4.1
71.01382	23.3
71.70004	0.8
72.99323	1.2
73.02956	4.6
81.03447	2.0
83.01391	2.6
83.05035	4.3
85.02951	13.9
87.00877	6.8
89.02449	16.3
93.03464	43.4
94.03812	1.1
95.01395	1.8
98.20575	1.6
99.00865	1.9
101.02448	15.5
105.03452	1.2
109.02988	3.8
111.04539	8.0
113.02438	9.8
113.39355	0.8
115.03951	1.1
115.39780	0.9
119.03525	7.4
127.04018	2.0
129.01906	0.8
133.02975	3.3
134.03741	4.8
135.04517	2.3
137.02449	3.9
138.01955	3.7
141.09213	1.1
143.03522	2.0
148.05339	0.9
149.04575	0.8
155.03496	6.2
158.03688	2.1
159.03261	0.9
159.04518	6.1
161.04536	7.4
172.05312	2.0
173.04558	100.0
173.05930	4.8
174.04933	2.4
174.06837	6.4
175.07683	6.9
179.05573	3.8
183.04532	1.2
187.03969	2.5
187.07642	26.4
187.09235	1.6
188.08006	0.9
191.05618	95.2
192.05908	2.6
197.05975	1.1
200.04811	2.0
201.05624	2.3
202.06367	10.8
203.07117	2.5
203.10725	7.3
209.15465	1.0
213.09190	7.3
215.07123	5.0
216.07903	1.1
225.15021	0.9
227.16492	1.6
229.08611	1.2
231.06665	1.4
231.10266	25.9
232.10609	1.7
243.16043	6.8
257.08139	11.5
269.17419	0.8
275.09253	74.6
276.09576	4.9
329.05731	1.1
357.39490	1.0
384.85001	0.9
389.21832	47.9
390.21967	4.7
405.21304	3.0
428.45639	1.0
449.14615	15.6
449.24323	14.4
450.14890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98533	0.5
61.98833	6.5
62.96399	0.4
62.98549	0.4
65.03964	0.3
69.54314	1.9
78.95902	50.0
91.05547	1.1
93.03459	1.8
96.96000	0.8
96.96320	0.4
96.96959	6.4
102.18170	0.3
105.07098	0.5
107.05030	0.6
109.06611	0.3
111.08150	0.6
113.24467	0.3
116.92858	1.9
116.97215	0.6
117.01939	0.6
118.99937	0.3
125.09673	0.7
133.03023	0.4
134.03732	0.8
150.98021	2.1
152.99580	100.0
153.99901	1.2
162.83849	0.3
171.00638	4.0
173.04507	1.5
185.11797	0.5
191.05641	0.3
231.10233	0.9
249.14789	0.4
261.14951	1.0
263.12833	5.2
264.13339	0.5
275.09219	1.7
295.22827	0.7
312.24734	0.3
345.00455	0.3
367.16473	0.4
389.26968	4.7
390.27484	0.5
421.86475	0.3
431.24365	1.9
449.23013	17.4
450.23495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98827	100.0
63.50217	0.8
66.30132	0.7
71.56084	1.0
71.56462	0.8
73.56947	0.8
74.79739	0.8
78.95900	7.8
87.70834	0.8
90.48679	0.7
96.96008	2.9
110.92376	0.7
115.16954	0.9
116.92869	2.0
133.02950	0.9
152.99579	12.1
160.84166	3.8
173.04526	2.4
193.89595	0.8
209.93018	0.9
211.13422	3.0
212.13800	4.6
212.52370	0.8
221.65698	0.8
231.99088	0.7
258.85226	0.9
275.09384	1.7
275.27307	0.9
309.88907	0.9
328.05280	2.1
367.16156	1.5
372.33093	0.8
435.56494	0.9
448.27798	1.6
449.23035	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73596	0.9
57.03447	1.6
59.01371	3.8
60.99301	3.8
67.01891	9.9
69.03460	3.0
70.50897	2.1
71.01386	5.1
77.03983	0.8
79.56988	0.9
81.03461	1.8
83.05037	1.8
85.02950	2.8
87.00876	9.3
93.03458	64.1
94.03788	2.5
95.36414	0.9
97.06590	3.1
99.00877	1.4
101.02422	0.8
103.02163	0.8
105.03463	2.5
105.21575	0.8
109.02933	2.4
111.04514	11.5
112.25442	0.9
117.03484	1.1
121.02953	2.7
122.03709	1.0
124.01664	2.2
126.03219	0.9
127.03999	1.9
129.01933	2.0
133.02953	22.2
134.03740	58.3
135.04529	38.3
136.04900	1.0
137.02444	13.6
139.03995	3.0
150.03239	1.8
151.04033	4.6
155.03511	7.1
160.01674	2.5
161.02428	2.5
162.03242	3.9
173.04541	100.0
174.04880	2.4
177.01920	7.9
178.02719	22.0
179.03490	5.3
180.04155	1.6
181.05025	0.8
191.05600	24.9
195.51413	0.9
198.89830	0.8
202.47900	0.8
215.45789	1.0
231.10266	5.6
257.08200	2.6
275.09232	57.6
276.09537	2.7
276.37830	1.0
295.18915	1.0
306.15158	0.8
307.08426	2.0
308.09024	11.4
351.07239	1.8
352.07962	20.3
353.08157	1.3
449.08261	1.8
449.14523	35.1
450.14813	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.4
60.01725	1.3
61.07929	0.6
61.98828	100.0
65.98945	0.5
66.68076	0.5
71.01363	2.9
71.10162	0.8
71.10502	0.5
83.05016	0.7
85.02951	0.6
89.02415	3.4
90.02740	0.6
93.03465	0.8
101.02460	1.9
102.02817	0.6
111.04552	1.0
113.02459	1.3
115.82686	0.5
119.03510	1.0
138.30769	0.5
152.58513	0.6
155.03558	0.9
158.03729	2.1
159.04491	3.1
161.04646	1.1
173.04573	2.4
173.06088	1.3
174.06859	0.8
179.05638	1.8
187.04054	2.0
187.07631	9.5
191.05598	3.9
201.05458	0.6
202.06407	2.1
203.10817	2.2
231.10191	3.5
269.10226	0.9
270.10703	0.7
275.09244	25.8
289.60684	0.5
353.32623	0.5
401.14529	0.7
402.14780	1.3
448.22379	0.5
449.14575	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.2
60.01714	0.4
61.87709	0.2
61.98832	100.0
69.27691	1.5
71.01402	0.5
85.02937	0.2
86.01422	0.2
87.00891	0.6
89.02451	0.3
93.03522	0.3
101.02421	0.2
111.04547	0.2
127.04200	0.2
155.03528	0.4
158.03769	0.5
159.04555	0.6
172.05315	0.3
173.04561	1.0
173.06067	0.6
174.06865	0.3
175.07727	0.2
179.05687	0.2
187.04065	0.3
187.07663	2.5
191.05615	1.6
202.06367	0.5
203.10786	0.5
215.32419	0.2
231.10231	1.1
232.04497	0.2
251.90263	0.2
259.05957	0.2
275.09238	7.6
300.73334	0.2
388.20471	0.2
449.14920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76318	0.1
59.01375	5.0
60.01707	0.4
61.98826	100.0
67.01881	0.2
69.34768	0.6
69.35185	0.5
71.01371	1.4
71.58137	0.1
72.29177	0.1
73.02926	0.2
76.08486	0.1
76.92502	0.1
83.05050	0.1
85.02954	0.8
87.00887	0.3
89.02429	0.8
93.03459	2.1
93.48979	0.1
95.08442	0.2
101.02431	0.7
111.04533	0.6
113.02449	0.5
119.03517	0.4
127.04060	0.1
130.03777	0.2
130.43530	0.1
131.03519	0.2
133.02980	0.3
135.32227	0.1
137.02446	0.3
142.30182	0.1
153.09238	0.3
155.03549	0.2
159.04541	0.4
160.05452	0.1
161.04584	0.7
162.04964	0.2
173.04541	4.3
173.06023	0.3
174.06937	0.2
175.07718	0.3
179.05656	0.4
187.07646	1.2
191.05595	5.0
196.05612	0.2
202.06380	0.6
203.10796	0.3
213.09294	0.4
215.07118	0.2
225.14917	0.4
226.15193	0.7
228.59119	0.2
231.10223	0.9
257.08218	0.6
275.09235	3.4
275.12021	0.3
285.03564	0.2
286.04312	0.2
298.04456	0.4
299.05273	0.3
300.05994	0.4
327.05118	0.6
328.05408	2.5
357.06058	0.2
358.06342	0.8
388.20447	0.8
448.09344	0.8
449.14639	0.9
449.24115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49419	0.3
69.25995	3.4
74.89930	0.3
78.95905	4.7
106.44563	0.3
110.98528	3.8
144.69313	0.3
165.67641	0.4
167.01125	1.2
181.98900	0.3
185.02191	2.9
261.22385	0.4
279.23264	100.0
280.23608	6.6
329.02396	0.4
340.50052	0.4
356.40582	0.4
447.25137	7.2
448.25345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10184	0.2
56.79634	0.3
59.01369	0.3
70.04836	1.0
78.95477	0.4
78.95902	5.2
101.87734	0.2
102.71919	0.2
110.35007	0.2
110.98515	4.2
118.94006	0.2
129.26968	0.2
152.99600	0.4
167.01132	1.6
185.02174	4.0
243.42046	0.2
261.22153	0.3
279.23264	100.0
280.23596	8.7
447.25119	7.9
448.25488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31480	1.0
59.01374	11.8
60.09826	1.0
61.98829	10.1
69.03440	3.8
69.25395	3.4
69.25819	7.1
70.69139	1.1
71.01373	1.3
73.02907	1.1
78.95901	3.5
85.27960	1.3
89.02438	1.7
96.96022	8.6
98.20687	2.6
103.52688	1.2
106.48608	1.1
113.02464	1.5
133.02893	1.1
135.10861	1.2
141.36752	1.0
152.56070	1.0
152.99571	2.1
167.10753	2.5
179.10719	1.3
179.14397	4.0
195.13925	8.1
205.12315	10.1
211.13379	4.2
223.13380	100.0
224.13669	4.8
264.91129	1.2
284.03299	2.1
285.04007	1.9
327.05057	7.8
346.25504	1.1
357.06100	2.4
365.14532	2.1
447.08820	2.5
447.14276	1.7
447.26022	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
59.41538	0.2
60.01700	0.3
60.81147	0.2
61.98830	100.0
71.01407	0.9
72.39436	0.2
73.02957	0.3
85.02970	0.5
87.00878	0.2
89.02462	0.4
93.03464	1.4
101.02477	0.5
111.04544	0.3
113.02464	0.4
119.03515	0.3
133.02943	0.2
153.09215	0.4
154.09637	0.2
155.03557	0.4
159.04570	0.2
161.04614	0.7
173.04547	3.7
173.06035	0.3
174.06938	0.4
179.05637	0.2
187.07710	0.7
191.05594	3.6
202.06392	0.4
203.10870	0.3
213.09216	0.2
225.14995	0.8
226.15343	0.9
231.10289	0.5
255.06958	0.2
257.08282	0.5
275.09219	2.3
285.03629	0.2
286.04404	0.4
291.87396	0.2
298.04413	0.4
299.05450	0.4
300.06055	0.6
327.05188	0.7
328.05414	3.0
329.05652	0.2
357.06622	0.2
358.06589	0.7
370.06763	0.2
388.20404	1.0
448.09497	1.1
448.25912	0.3
449.14777	0.6
449.24112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31033	0.4
56.68798	0.4
61.35846	0.4
69.55099	1.6
69.55524	1.7
71.30235	0.4
78.95899	7.7
86.06060	0.4
86.68774	0.5
110.98518	5.6
167.01125	1.5
185.02161	3.7
196.50426	0.4
249.00334	0.5
261.22113	0.4
266.55109	0.5
279.23273	100.0
280.23630	6.7
447.25165	9.7
448.25391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97560	4.8
59.01382	100.0
61.98818	20.5
63.03230	5.0
67.59625	4.8
70.73721	4.6
71.01401	22.0
71.54584	6.8
73.02943	10.1
85.02970	10.9
87.00873	5.3
89.02407	12.3
93.03445	8.3
96.96012	17.5
99.00876	6.9
101.02429	20.0
109.02939	14.0
113.02446	10.6
113.50124	5.3
115.83729	4.4
142.88109	5.1
152.01134	13.9
153.01923	15.3
161.04559	7.6
163.07733	8.6
173.04549	11.3
191.05647	14.3
191.50342	4.8
199.89655	6.1
229.08664	21.1
273.07602	41.4
279.14536	5.7
284.03140	6.6
285.03812	6.2
322.80304	5.3
327.04990	9.2
332.69263	5.5
376.23126	10.5
382.24094	5.8
411.18707	36.1
447.11832	6.8
447.16663	47.2
471.95819	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68526	0.8
55.01893	1.5
57.03449	2.4
58.00581	1.1
59.01380	100.0
61.77205	0.8
61.98829	2.1
69.50745	2.7
69.51170	3.4
71.01385	23.0
71.89375	1.0
72.99281	1.0
73.02947	5.3
81.03491	1.0
83.01385	2.6
85.02956	8.4
87.00871	1.3
89.02446	17.2
95.01394	2.9
98.19802	1.6
99.00907	2.5
99.04472	0.9
101.02442	18.7
107.01383	1.0
109.02916	1.7
113.02455	11.6
119.03510	6.7
119.04943	1.3
121.02945	2.5
125.02436	1.8
133.02942	10.6
135.04501	1.6
138.06848	3.9
149.02264	1.2
153.09212	14.1
159.02966	1.6
161.02477	1.6
161.04564	15.3
163.00328	1.4
163.04008	1.4
165.01828	1.3
175.03944	1.6
179.05573	2.4
191.03543	1.3
193.01378	1.7
197.15474	1.0
199.04012	1.3
201.01891	1.2
207.13902	2.3
211.13373	1.8
213.05380	1.2
225.14932	32.7
226.15215	1.3
239.72263	0.9
241.04942	1.8
253.05154	1.1
255.06688	1.8
282.72900	0.9
284.03256	8.6
285.04053	7.2
297.04080	11.2
298.04688	7.0
299.05588	12.6
311.05511	2.0
327.05078	68.0
328.05444	4.9
334.28641	0.9
339.04993	3.5
357.06171	17.1
358.06454	1.3
369.06168	1.9
381.93082	0.9
387.20230	77.1
388.20740	5.7
393.05948	0.9
408.86203	0.8
447.09311	23.3
448.09601	2.5
469.72821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.5
62.13918	0.4
69.51222	2.3
71.01366	1.3
72.99309	4.8
73.02954	0.6
73.13447	0.3
74.02498	0.4
75.00874	3.3
85.02982	0.5
87.00868	2.3
89.02430	0.8
99.00888	0.8
101.02437	0.4
103.00372	0.9
104.03529	2.1
105.01938	100.0
106.02279	1.6
108.02176	10.2
109.02975	3.5
113.02465	0.5
132.13287	0.4
151.04044	0.4
152.01155	17.8
153.01906	0.8
163.04027	0.5
220.84505	0.4
221.45712	0.3
231.51738	0.4
258.41702	0.4
321.19186	0.4
447.11462	19.6
448.12106	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	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03429	1.3
58.00589	1.5
59.01377	100.0
60.01716	0.8
61.98829	12.5
63.49174	0.6
67.23473	0.7
69.03453	3.1
70.02950	0.8
70.21652	1.5
70.22049	1.7
71.01379	47.8
71.05029	0.7
71.20408	0.8
72.99300	2.5
73.02945	9.5
75.04648	0.7
78.91886	5.3
78.95892	0.9
79.01894	1.0
81.03461	1.9
83.01369	4.2
85.02946	9.7
87.00888	2.4
88.98811	1.8
89.02441	47.4
93.03457	20.5
93.04017	1.3
95.01395	2.0
96.04553	1.1
96.96003	8.0
97.02946	3.7
98.02471	6.9
99.00882	1.6
101.02443	12.1
108.02200	1.3
109.02950	1.3
113.02451	9.2
119.03501	3.9
125.02429	15.4
128.03549	1.0
131.03502	8.5
137.02570	0.9
143.03503	2.6
149.04544	14.6
152.01175	1.9
156.66908	0.8
161.04619	3.0
167.10728	1.1
173.04558	2.7
179.05667	2.7
191.05597	12.2
191.07129	1.0
229.08701	1.3
233.06641	3.2
243.15979	0.9
273.07785	3.2
282.05530	1.1
284.03400	1.7
285.04105	1.5
291.18033	1.3
293.08777	47.6
294.09186	2.9
297.04446	0.9
309.19006	1.3
310.20111	1.1
327.05096	3.8
357.06223	1.2
375.22186	1.1
376.23361	13.1
383.05878	0.8
387.12994	2.7
387.20474	2.3
404.23056	2.0
447.09644	2.6
447.13678	1.5
447.22388	1.4
448.21857	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	447.1294
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02360	1.2
55.01895	0.8
59.01379	10.3
61.98817	1.5
69.03452	65.9
69.34597	1.5
69.35002	5.2
71.01382	1.5
73.02945	0.9
79.01890	46.8
79.64191	0.9
79.95750	1.8
81.03452	3.0
85.02945	2.7
93.03452	1.4
95.01385	10.5
96.96012	17.9
97.02948	38.8
107.01386	88.8
108.02178	34.2
109.02951	3.1
109.99901	0.8
113.02453	1.1
119.23769	0.9
121.02952	2.2
123.00873	17.4
124.01228	1.0
125.02444	59.6
126.02820	1.7
133.02985	2.2
134.03743	0.9
135.00877	74.6
136.01759	3.9
137.02415	2.7
149.02431	0.9
151.00363	78.3
152.01146	74.8
152.02948	1.1
153.01976	5.5
163.04008	5.8
173.04558	1.9
177.01930	9.1
191.05617	1.7
197.06056	2.0
198.10855	0.8
211.13400	1.8
225.05516	2.3
242.05838	100.0
243.06592	97.6
243.09181	1.6
244.07024	5.8
271.05099	1.1
284.03287	1.1
285.07755	3.6
297.07217	0.9
311.21283	0.8
327.05096	4.2
339.07202	5.3
357.06259	1.7
387.10892	2.8
447.13031	46.1
448.13309	4.0
460.53470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
61.98832	1.7
62.96394	0.9
70.45600	0.7
70.46004	0.7
71.57864	0.3
72.20403	0.3
78.95902	33.5
80.01526	0.4
93.09454	0.4
96.96016	3.0
96.96946	2.3
112.44935	0.4
149.00082	16.8
152.99561	1.9
158.92574	1.9
162.39502	0.4
179.01180	1.9
189.23657	0.4
205.16000	1.3
211.13385	0.5
267.11530	0.4
279.60114	0.3
327.05011	0.7
347.08255	0.6
417.12460	0.8
431.10190	2.4
432.10483	0.5
447.13397	100.0
448.13766	7.7
448.19846	0.2
464.10159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43094	0.4
59.01378	2.6
64.14766	0.3
71.53954	0.6
71.54308	0.4
72.99313	6.0
73.77998	0.4
75.00879	3.7
87.00883	4.3
95.49804	0.4
99.51353	0.3
103.00348	2.2
104.03519	0.8
105.01938	100.0
106.02271	1.3
107.35525	0.3
144.02690	0.4
198.66704	0.4
223.32495	0.4
235.36902	0.4
242.39772	0.4
270.18573	0.3
285.50601	0.4
337.40671	0.4
342.11121	0.4
343.11551	0.4
348.76151	0.3
464.91919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
70.49168	1.2
71.01383	5.7
72.99311	3.6
73.02945	1.5
75.00868	2.0
85.02942	2.8
87.00877	2.5
94.20242	0.5
95.01392	1.1
99.00874	2.4
101.02439	2.6
103.00392	1.1
104.03536	0.7
105.01935	68.5
106.02306	0.8
108.02172	43.8
109.02969	16.3
110.03310	0.6
113.02458	2.2
123.00910	0.7
135.04524	0.7
148.23830	0.6
151.03973	2.0
152.01149	79.0
153.01933	3.8
161.04526	1.8
163.04042	3.1
177.01978	0.6
185.59567	0.6
207.02962	0.6
309.53748	0.6
315.07199	1.8
447.11420	100.0
448.11734	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	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91438	0.5
55.11757	0.4
59.01366	1.8
60.82668	0.4
70.91742	1.0
71.01388	5.4
73.02943	2.0
85.02944	3.3
89.02428	1.1
95.01415	1.1
99.00886	2.9
101.02435	2.8
107.04990	0.6
108.02174	45.6
109.02969	13.9
113.02438	2.7
115.66270	0.5
123.00851	0.7
123.04504	0.8
151.04016	1.7
152.01147	85.7
153.01698	2.9
156.31300	0.5
161.04562	1.7
163.02785	0.4
163.03986	3.3
177.01883	0.5
179.03510	0.7
207.03006	0.7
271.08301	0.5
309.07727	0.4
315.07242	0.8
332.47467	0.4
391.08630	0.5
398.69385	0.5
447.11414	100.0
448.11877	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59231	0.3
59.01379	9.4
61.98827	0.4
62.62922	0.2
63.02384	1.0
65.00327	0.8
69.24275	2.2
73.02966	0.3
75.00847	0.6
80.93243	0.3
83.01360	0.8
85.02940	0.7
89.02411	0.4
93.03439	0.4
101.02451	0.6
107.01381	2.7
109.02931	0.4
113.02415	0.9
115.57394	0.3
121.02947	0.4
133.02951	4.1
134.03824	0.5
135.04463	0.4
143.04866	0.3
148.01669	0.5
149.02426	1.2
149.99657	0.3
151.00352	4.1
153.09221	1.4
161.04526	0.6
166.49265	0.3
171.04482	0.4
175.03993	1.3
183.04498	0.6
187.04002	0.5
191.05595	0.4
199.03966	1.7
200.04866	0.4
201.01942	0.7
207.13885	0.4
211.03943	0.8
212.04700	0.4
214.02722	0.4
215.03311	0.3
217.05025	1.1
225.14830	0.3
227.03502	1.5
239.03380	0.3
240.04056	0.4
241.05006	0.7
243.02943	0.7
249.06071	1.1
255.02881	1.3
256.03757	4.1
267.02969	0.4
283.02429	0.5
284.03244	56.7
285.04019	100.0
286.04358	6.0
297.04025	0.8
298.04742	0.4
299.05664	0.6
327.05075	2.9
357.06183	0.9
403.16138	0.9
406.72256	0.3
447.09299	76.1
448.09619	6.4
448.15939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62365	0.5
59.01381	82.3
60.01705	0.8
61.98832	13.5
65.00324	0.7
69.29315	3.9
71.01387	6.6
73.02957	1.1
77.03992	0.9
79.01904	1.3
83.01373	0.8
85.02955	1.3
87.00889	0.7
89.02447	7.1
89.39389	0.4
95.01389	1.0
97.02955	0.9
101.02448	4.4
105.03444	0.6
107.01386	0.9
109.02949	2.5
113.02443	3.5
119.02790	0.5
119.03477	2.7
119.05002	0.6
121.02970	2.5
122.06111	0.5
125.02421	1.0
133.02956	17.6
134.03737	0.9
135.04527	1.8
137.02507	0.5
143.03529	0.5
147.04544	0.6
149.02458	1.2
151.00420	0.9
161.02505	2.4
161.04561	3.9
163.00395	2.9
163.04027	3.0
165.01945	3.3
166.47371	0.4
171.04349	0.5
175.03990	3.9
177.01920	1.2
179.03473	0.5
179.05595	2.1
185.06049	0.6
189.12822	1.7
191.03513	1.4
193.01474	0.5
198.03168	0.5
199.03993	2.7
199.07721	0.7
201.01913	1.9
203.03566	1.0
207.13913	0.7
211.03983	1.3
212.04842	1.2
213.03691	0.6
213.05595	1.5
215.03465	0.5
225.05548	1.3
226.02740	0.5
227.03484	1.2
227.07095	0.6
229.01508	0.6
229.05093	0.6
237.05618	0.6
240.04288	0.8
241.04980	1.1
243.02942	0.5
243.16014	0.7
251.03491	0.5
253.04988	1.6
255.02950	1.6
255.06610	1.4
257.04446	0.7
269.04495	2.1
270.05359	0.6
281.04492	0.7
284.03247	6.3
285.04062	15.3
286.04239	1.0
297.04037	23.1
298.01340	0.8
298.04779	19.4
299.05576	33.9
300.05969	2.3
309.03976	1.0
311.05640	7.6
324.02667	1.7
325.03506	2.0
327.05075	100.0
328.05505	7.4
330.03748	1.0
339.05090	12.3
341.06766	1.1
343.40051	0.5
357.06143	56.6
358.06516	2.7
369.06168	3.1
371.07684	0.7
381.06244	0.7
387.07159	1.7
387.20114	6.0
399.07175	0.7
405.21420	1.3
411.07324	1.3
429.08292	7.3
447.09302	76.9
448.09662	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
60.19773	0.4
66.87056	0.5
69.39606	3.4
69.39932	0.7
77.03983	0.8
79.01878	0.5
81.03419	0.8
83.01353	0.5
93.03413	0.5
107.52235	0.4
109.02953	2.2
119.05009	0.9
121.02950	1.8
125.02429	1.5
126.29303	0.4
133.02946	13.3
135.04478	1.5
147.04475	0.9
149.02422	1.4
151.00374	0.7
151.03935	0.5
161.02411	1.3
163.00330	1.7
163.03983	3.1
164.01100	0.4
165.01918	1.7
175.03957	2.9
177.01952	1.5
191.03500	1.4
193.01337	1.2
198.03287	0.6
199.04005	1.1
201.01886	1.1
203.03389	0.6
211.04092	0.8
213.05540	1.5
225.05569	0.9
227.03456	0.7
240.04117	0.6
241.04997	1.0
253.04956	0.8
255.02840	0.8
255.06517	1.3
256.03668	0.6
257.04694	0.5
269.04498	1.7
284.03226	9.0
285.04053	7.4
297.04031	17.5
298.04758	8.7
299.05560	19.2
300.05984	1.5
309.03992	1.1
311.05542	2.7
325.03476	0.9
327.05063	100.0
328.05411	8.0
339.05078	3.1
341.06573	1.2
355.03958	0.5
357.06134	26.5
358.06378	2.2
369.06161	2.4
393.06143	1.4
426.74240	0.5
447.09277	28.1
448.09741	2.8
457.84430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89108	0.9
57.03433	3.3
59.01376	16.3
63.02383	3.3
65.00321	9.0
68.99799	1.4
69.18889	3.0
69.19308	7.1
71.01377	10.7
72.99300	2.6
73.37574	1.0
75.00858	4.7
83.01378	8.1
85.02943	32.1
87.00848	3.7
89.02419	2.1
93.03456	8.0
95.01382	8.3
98.20648	2.1
99.00878	9.9
103.00359	5.1
107.01389	15.7
113.02444	60.3
114.02782	1.9
115.00322	2.1
117.01912	2.7
119.05019	48.0
125.02444	1.9
129.01967	1.6
133.02914	1.2
143.04982	1.0
151.00357	78.0
152.00684	2.0
165.01866	2.1
169.01366	1.3
173.29219	0.9
175.00974	1.9
175.02455	25.1
177.01917	6.5
185.06136	2.0
187.04013	2.3
201.01483	1.1
227.07068	2.6
269.04541	4.0
270.04956	2.1
271.06100	100.0
272.06381	6.8
351.31271	1.1
447.09415	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	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89420	0.4
58.06434	0.4
59.01378	13.8
60.01702	1.3
61.98827	100.0
62.96408	0.5
63.37620	0.4
71.01387	0.5
71.57051	0.5
78.95897	21.6
81.65738	0.4
82.93644	0.5
85.02962	0.6
86.31822	0.4
96.96010	1.7
96.96956	1.6
113.02484	1.1
125.09686	0.8
149.00070	7.7
152.99576	6.3
158.92514	0.9
179.01154	1.0
185.02316	0.6
205.16077	0.6
211.13483	1.5
233.11548	1.0
269.04605	1.4
270.04852	3.2
279.23227	0.5
285.04126	0.6
311.22318	0.8
312.22690	1.5
327.05042	0.9
331.67563	0.5
417.12054	0.7
431.10529	0.6
447.13403	53.1
447.27213	2.5
462.05255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.2
60.01727	1.2
61.98827	100.0
64.89769	0.5
69.80297	1.7
69.80700	1.2
71.01380	1.1
78.95901	20.5
85.02917	1.1
96.96021	2.2
96.96971	1.8
98.20628	0.9
113.02458	1.4
116.92919	0.8
121.71777	0.5
125.77409	0.5
137.38452	0.5
138.03607	0.5
152.99571	35.2
171.00632	1.4
184.65691	0.7
187.57669	0.5
204.62646	0.6
211.13438	1.8
269.04630	1.7
270.04907	4.0
279.37842	0.6
305.56345	0.5
312.22128	0.7
327.05124	1.2
331.19254	0.7
430.29694	0.5
446.20795	0.7
447.13724	1.9
447.21677	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	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.2
59.01379	12.9
59.96219	0.7
60.01703	0.8
61.98829	100.0
68.98048	0.7
71.01380	1.7
71.56673	1.1
78.95885	1.1
85.02958	1.3
87.00822	0.9
96.37586	0.7
96.96009	3.9
113.02441	2.5
119.81233	0.7
152.99571	1.9
174.27461	0.7
196.47383	0.7
201.34120	0.8
210.12276	0.7
211.13403	4.2
238.17436	0.8
261.41812	0.7
269.04575	4.3
270.04865	8.7
270.07489	0.7
285.04080	1.5
297.04150	1.0
327.05060	4.7
357.06308	1.5
368.51306	0.8
447.09421	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	446.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
61.98827	100.0
69.44971	0.6
71.03181	0.9
71.03508	0.9
78.95937	0.7
85.02948	1.1
86.79779	0.7
96.96029	3.0
103.53734	0.6
103.94701	0.7
113.02466	2.0
183.14005	0.9
211.13387	8.8
253.09398	1.3
259.19196	0.7
269.04608	2.9
270.04868	6.1
270.17819	0.7
280.13019	0.6
283.65848	0.7
286.06204	0.8
297.04248	1.1
303.60754	0.7
327.05206	3.0
357.06146	1.6
447.09271	2.0
460.49475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53003	0.4
59.01377	2.0
61.98832	100.0
71.55637	0.4
75.88524	0.4
79.64858	0.4
116.05396	0.4
150.78981	0.4
152.33440	0.4
155.17749	0.4
211.13411	0.5
240.59404	0.5
270.04926	0.9
289.75085	0.5
327.05295	1.2
447.09262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	0.7
61.98825	1.3
63.55062	0.4
66.85405	0.4
69.80193	2.1
85.02949	1.3
89.02436	0.9
89.91146	0.5
91.04028	1.0
96.96006	7.6
98.19983	0.8
113.02477	1.7
136.04605	0.4
147.65921	0.5
152.99617	0.5
211.13571	0.5
235.44026	0.4
269.04507	7.7
293.21246	2.2
311.22244	11.6
312.22665	1.0
331.19128	0.5
385.12869	0.5
394.80063	0.5
445.07132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01376	100.0
60.01714	0.9
61.98832	1.7
63.02406	0.5
65.00986	0.5
68.99544	0.7
70.78084	0.7
70.78425	1.1
71.01377	1.4
75.00874	0.8
85.02947	2.4
87.00887	0.7
89.02457	0.8
91.04003	3.4
95.01388	0.8
96.96002	14.1
96.96606	0.9
99.00887	1.3
112.98601	1.0
113.02438	3.3
117.03476	1.5
129.09239	0.6
152.91780	0.8
170.94351	0.4
174.94797	0.4
175.02477	0.8
207.10052	0.6
211.13400	1.2
247.02364	1.3
248.20848	0.5
254.56139	0.5
269.04523	18.6
270.04962	1.0
272.04340	0.7
293.21329	1.0
307.01788	1.4
311.22238	15.3
312.22638	1.6
358.40659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84472	0.3
54.97902	0.3
57.03424	0.3
59.01370	4.5
61.98829	100.0
66.78320	0.3
71.01373	2.0
71.55202	0.4
73.02953	0.9
78.43698	0.3
78.91874	0.3
85.02950	0.4
86.37270	0.3
87.00906	0.4
89.02447	0.7
93.03463	0.4
96.00962	0.3
96.76105	0.3
96.96001	2.0
98.02505	0.4
101.02433	0.9
105.17702	0.3
109.03001	0.5
109.64109	0.3
112.38152	0.3
112.98789	0.4
113.02441	0.4
128.03535	0.4
141.99126	0.3
149.09747	0.5
153.01978	0.8
153.09151	0.3
163.01260	0.3
167.10817	0.8
172.00104	0.4
173.04639	0.3
191.05661	1.0
209.08231	1.0
209.11899	0.4
254.55035	0.3
293.09058	0.4
323.07874	1.3
374.21838	0.7
383.09903	0.9
422.50021	0.3
445.23328	0.4
446.24234	0.8
447.11057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.6
59.01381	5.4
61.98831	100.0
69.90330	1.8
70.09505	0.3
71.01382	0.7
75.00906	0.4
77.00739	0.4
79.50787	0.3
85.02951	1.7
96.96019	1.0
99.00874	0.5
102.22604	0.3
103.00349	0.5
105.95821	0.3
111.00495	0.3
113.02450	3.5
117.03477	0.8
117.94047	0.3
141.53088	0.3
168.80672	0.4
175.02547	0.8
208.10721	0.4
209.11852	0.8
269.04553	12.5
287.74744	0.4
333.43137	0.3
362.28625	0.3
407.32373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.9
59.05568	1.0
70.09595	1.2
70.65322	1.2
70.65656	2.5
71.01381	3.3
75.00869	71.1
89.02435	6.3
94.58208	1.2
101.02417	2.0
103.00372	100.0
104.00741	1.4
104.03537	4.5
113.02472	1.4
114.69067	1.2
153.30083	1.1
179.05579	4.1
183.03145	1.3
191.05609	3.6
341.10846	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	445.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54729	5.3
58.93747	5.5
59.01375	42.1
61.98811	22.7
69.78750	33.1
71.01400	30.2
73.22992	5.8
74.59855	5.3
80.35763	5.6
85.02940	8.9
89.02432	31.7
89.74110	5.5
96.96010	59.3
99.00881	41.2
101.02409	15.9
105.89060	6.8
106.90664	5.9
112.30811	5.0
113.02428	16.2
131.03502	8.0
143.39433	5.6
149.04523	30.0
161.04518	7.1
182.18755	6.2
191.05577	20.2
233.06657	12.5
269.04510	9.1
343.38217	5.9
409.17194	55.7
410.17114	6.9
445.14740	100.0
446.14780	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	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
69.40652	3.1
69.40997	0.6
78.95901	5.3
87.38188	0.4
98.20680	0.7
100.01338	0.4
110.98530	4.5
167.01164	2.8
185.02191	4.1
277.21707	100.0
278.22058	9.0
339.65897	0.4
445.23593	9.7
446.23972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
61.98833	100.0
63.03929	0.5
63.04256	0.5
66.92132	0.5
70.45571	1.4
73.21930	0.5
85.02963	0.9
96.96029	2.5
113.02456	1.8
150.10455	0.6
172.62529	0.5
253.27150	0.5
269.04550	6.2
313.37671	0.5
361.24252	0.6
412.96906	0.6
423.46243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95086	0.3
57.03449	0.3
57.15214	0.3
57.67828	0.3
59.01384	3.3
61.98832	100.0
62.66045	0.3
68.84430	0.3
69.82430	1.3
71.01403	0.7
71.94970	0.3
82.93957	0.3
85.02969	0.8
96.96010	2.4
98.20603	0.4
99.00921	0.3
101.02437	0.3
113.02447	2.2
160.84183	0.4
175.02513	0.7
177.01791	0.3
209.11899	0.5
237.71457	0.4
247.52921	0.4
263.50266	0.3
269.04553	6.0
292.28668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.5
61.98832	100.0
68.25928	0.3
71.01386	2.8
73.02937	0.8
81.03450	0.3
82.95411	0.5
85.02975	1.2
89.02448	3.1
96.96012	0.3
98.19838	0.6
100.82507	0.3
101.02453	1.5
109.02972	0.3
113.02441	1.6
119.03515	1.3
147.44984	0.2
155.03529	0.3
161.04607	0.8
165.01936	0.3
168.66646	0.3
173.04582	0.6
179.00050	0.3
179.05609	1.7
191.05727	0.4
205.12378	0.5
209.11868	2.8
237.25526	0.3
253.09271	0.4
268.03912	0.8
269.04514	6.0
296.03214	0.3
297.04059	2.6
309.04205	0.4
325.03467	2.2
327.05154	1.2
327.08835	0.6
348.80219	0.3
355.04742	0.6
384.18686	0.8
402.14694	0.5
444.19925	0.4
445.07660	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	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.2
61.98827	100.0
62.98509	0.5
69.54440	3.4
71.01366	0.7
85.02961	0.8
89.02390	0.6
91.03990	0.8
96.96003	8.9
113.02454	2.5
120.02449	0.6
145.31367	0.5
176.82489	0.6
216.67955	0.5
233.11708	0.6
269.04565	6.8
285.05753	0.6
286.06345	0.9
287.05615	0.8
293.21085	0.6
311.22253	4.5
330.90320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22824	0.6
53.81606	0.6
59.01377	100.0
60.01712	1.0
61.02822	0.8
61.98821	5.9
63.76068	0.6
65.78074	0.6
71.01368	0.7
71.56770	1.1
85.46085	0.6
92.19577	0.6
96.96007	4.1
122.44535	0.6
125.09746	0.8
157.27393	0.6
179.03500	1.0
209.11949	1.2
241.20578	0.7
271.04257	1.4
285.05716	7.1
291.19608	3.6
309.20679	6.4
315.01535	0.6
353.23648	0.7
375.52789	0.6
383.13065	3.4
390.00366	0.7
421.00284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2761
Annotation	Broussonetine J
Peak:m/z	Relative Intensity
56.55828	0.1
57.03445	0.3
58.00610	0.3
58.02974	0.8
59.01379	100.0
60.01720	0.8
60.53587	0.1
61.98854	0.2
69.39835	0.3
69.40253	0.5
71.01375	0.8
71.04991	0.1
73.02952	1.0
75.00887	0.1
78.60525	0.1
78.95907	0.2
80.05062	0.1
80.09943	0.1
81.02222	0.1
82.02977	0.3
83.01405	0.2
83.05066	0.2
84.04556	0.3
85.02965	0.6
85.34863	0.1
87.00906	0.1
93.03475	0.4
96.96036	0.4
98.02572	0.1
98.19900	0.2
100.04050	0.9
101.02469	0.5
102.05605	0.1
108.04554	0.1
109.06593	0.2
111.04528	0.2
113.02459	0.2
115.04004	0.2
124.07652	0.1
125.06076	0.1
127.61016	0.1
135.04524	0.4
137.02408	0.2
138.09180	0.1
139.07642	0.3
146.09778	0.1
148.07718	0.4
148.11333	0.1
150.03224	0.1
150.12910	0.8
155.10721	0.2
161.02357	0.1
162.12935	0.6
163.03972	0.1
164.07233	0.1
166.12360	0.2
167.10765	0.3
173.04575	0.7
174.12904	0.1
176.10841	0.1
178.12360	2.1
179.03569	0.2
183.13956	0.1
184.13469	0.1
185.11818	0.6
186.12169	0.3
190.12425	0.1
191.05630	0.3
192.13948	0.2
194.11911	0.5
206.11868	0.2
208.13431	2.1
215.12871	0.3
224.12907	1.8
238.14516	0.2
239.12895	0.1
242.13919	0.5
251.12976	0.1
255.18690	0.2
257.20251	0.3
269.13971	0.5
273.19727	0.2
274.16605	0.7
275.21317	0.2
280.19336	0.2
286.16531	0.1
291.20648	0.2
293.22366	0.7
300.21826	0.2
305.22403	0.2
307.20383	0.2
307.87540	0.1
309.21820	2.1
321.21835	0.1
323.23575	0.2
327.22714	0.6
333.22116	0.2
335.23453	0.1
339.22583	0.2
341.24374	0.7
351.22906	1.2
353.24414	0.6
359.25571	2.4
360.25888	0.2
365.24475	0.2
365.54034	0.1
369.24203	0.3
383.25491	13.9
384.25864	1.2
399.25061	0.2
401.26547	5.1
402.26913	0.5
427.24469	0.2
443.19031	0.9
443.27615	7.3
444.18686	0.1
444.27866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01395	0.5
69.33959	4.8
159.08495	3.9
161.06415	1.4
195.02368	0.6
211.67868	0.7
217.07155	1.0
277.07547	2.2
345.13788	1.1
357.13739	2.6
359.15332	100.0
360.15451	12.0
360.19656	1.2
360.94229	0.7
427.21579	49.7
428.21619	6.9
443.24741	13.0
444.24991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99154	0.9
59.01377	100.0
61.98841	4.2
70.66216	1.5
70.66549	1.1
71.01403	0.8
75.00866	1.0
87.07027	0.7
96.96014	8.6
98.19890	0.9
109.06583	1.3
135.04541	1.9
140.12672	0.7
169.72403	0.9
173.04590	0.8
174.92390	0.9
179.03511	1.3
191.05687	0.9
209.11755	1.3
291.19626	4.3
309.20679	7.5
336.59274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.6
69.56103	3.5
91.04022	2.0
111.08169	1.6
121.09985	0.5
145.34845	0.5
197.11884	4.1
207.10347	0.7
211.13394	0.6
239.71555	0.5
291.19675	3.0
309.20700	8.1
444.38354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25787	0.4
59.01374	100.0
60.01688	0.6
61.98834	1.1
69.55434	2.4
75.00861	2.4
96.96027	0.8
98.20661	0.5
112.33753	0.4
160.64931	0.4
207.10265	1.0
209.11899	0.6
263.80698	0.4
291.19672	2.7
297.63385	0.5
309.20679	4.4
310.21164	0.7
383.12994	0.5
418.30383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36960	0.7
58.00598	0.7
59.01377	100.0
60.01710	0.7
60.31348	0.7
61.98831	1.7
69.83869	2.5
69.84287	1.0
79.61259	0.7
81.87383	0.7
83.63645	0.7
89.02435	0.8
91.04018	4.2
96.96009	2.7
111.08198	1.8
123.26250	0.7
129.82893	0.7
168.09883	0.8
197.11844	6.3
199.13454	0.8
207.10278	1.4
214.27882	0.8
291.19638	5.0
309.20712	12.0
310.21097	1.0
397.92978	0.8
443.24420	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01873	2.2
57.03435	1.1
58.00584	1.2
59.01381	36.4
61.98832	0.6
64.00996	0.5
68.25283	0.4
69.49171	1.8
69.49579	1.3
71.01383	22.4
71.01781	1.1
72.99311	1.7
73.02948	4.1
75.00873	1.1
83.01392	3.7
83.05025	0.6
85.02952	7.8
86.00092	0.5
87.00848	0.8
89.02449	15.3
95.01389	2.5
96.96033	1.3
99.00879	2.2
101.02444	17.8
111.02050	0.5
113.02449	9.4
119.03503	6.1
123.08141	0.9
131.03445	0.6
143.03511	1.0
159.03021	0.8
161.04587	1.4
174.03629	0.5
179.05600	0.8
189.12761	1.1
218.53308	0.5
219.14020	0.6
237.14905	0.8
343.99826	0.5
443.19205	100.0
444.19534	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	443.2283
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
57.03436	2.0
58.56039	1.0
59.01376	58.1
61.20240	1.0
61.98827	1.8
68.99549	1.3
69.03432	2.0
69.58073	6.2
71.01379	47.9
71.01779	2.3
72.99306	9.3
73.02942	21.9
75.00870	1.7
83.01364	6.3
83.05013	1.1
85.02951	12.7
87.00864	3.6
89.02444	6.6
93.03460	1.2
95.01362	1.4
97.02962	1.5
97.06599	3.1
99.00850	1.9
101.02438	21.4
113.02443	6.5
115.00365	9.0
119.03494	3.0
125.02397	1.7
130.04373	1.0
133.01393	2.8
135.03024	1.3
137.09721	3.6
145.34157	1.1
155.03384	1.3
171.10251	17.4
173.04523	3.0
181.12192	1.4
183.13925	2.4
185.11815	1.3
209.11772	2.8
211.13370	10.1
221.11882	2.1
221.15459	10.1
229.14496	6.9
239.12814	1.6
239.16591	4.0
291.19614	2.5
307.19046	2.7
325.20163	2.5
327.21732	92.6
328.22061	6.8
383.20685	9.2
391.67490	1.2
401.21780	19.6
425.21915	2.0
443.22815	100.0
444.23224	10.1
458.82266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
58.00597	0.4
59.01377	100.0
59.98533	0.2
60.01706	1.2
61.98835	1.4
69.03446	0.6
69.64016	0.9
69.64429	0.6
71.01382	11.7
71.01778	0.6
72.99314	1.0
73.02946	9.3
75.00896	0.4
79.82055	0.3
81.03449	0.5
83.01379	2.7
83.05009	0.3
85.02949	2.8
87.00887	0.8
89.02438	6.2
93.03453	2.1
95.01416	0.8
96.96027	0.9
97.02969	0.3
97.06613	1.0
98.19804	0.3
99.00877	0.5
101.02444	9.2
106.22747	0.3
111.04534	0.8
113.02445	5.2
115.00348	0.3
116.92879	0.4
119.03516	2.4
119.05029	2.3
125.02468	0.4
130.34480	0.3
131.03532	0.8
137.02492	0.5
143.03487	0.7
149.04602	0.5
155.03494	0.7
161.04485	1.4
163.03998	3.2
164.04439	0.5
173.04561	4.4
173.06001	0.5
187.07726	0.7
191.05580	3.0
191.06892	0.3
192.06094	0.4
201.05656	0.4
201.09094	0.4
202.06381	0.3
215.07193	0.6
229.08830	0.4
230.09406	0.4
252.15869	0.3
274.08374	0.3
292.19519	0.3
292.34229	0.3
305.08286	0.3
305.58737	0.3
319.57065	0.3
337.09360	0.9
349.14395	0.3
399.23929	0.6
441.21429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29068	0.7
59.01376	100.0
61.21878	0.7
61.98827	3.1
66.02827	0.7
69.55972	1.8
69.56390	3.2
71.01434	0.8
92.92818	1.3
112.98491	0.8
125.09667	0.9
132.50360	0.7
176.98201	0.8
209.11821	1.2
285.54794	0.7
289.18094	6.4
295.22879	3.4
307.19153	5.3
465.32874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01707	0.7
61.98831	1.8
63.82924	0.8
71.01378	1.9
71.36605	0.7
71.55470	1.1
92.92829	0.9
96.96034	1.3
114.12315	0.7
209.11902	1.2
245.19067	1.2
289.18140	5.4
295.22775	3.0
307.18982	6.4
344.35345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.1
61.98853	0.3
66.00244	0.4
69.48064	2.7
71.01395	0.4
75.37306	0.3
86.90163	0.3
87.92555	0.4
90.03037	0.4
92.92783	0.4
98.19853	0.4
108.50969	0.3
151.49052	0.4
171.10266	0.5
173.17511	0.4
209.11986	0.7
245.19305	0.6
278.38727	0.3
289.18076	2.9
307.19064	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01701	0.8
61.98854	0.6
68.33384	0.5
69.55543	1.5
69.55949	1.0
80.03877	0.4
82.30561	0.3
84.86129	0.4
98.50196	0.5
135.62590	0.4
142.14888	0.4
209.11880	0.6
232.91803	0.4
245.19234	0.6
274.36917	0.4
289.18176	3.4
307.19189	3.9
310.52106	0.3
428.66833	0.4
460.88806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00573	0.4
59.01375	100.0
60.01702	1.1
61.98828	1.9
62.84662	0.4
67.01893	0.9
70.81011	0.4
71.01380	7.9
71.56456	0.6
73.02952	2.5
74.02473	0.5
80.96548	0.5
81.03445	0.6
82.95439	0.9
83.01395	1.1
83.05045	0.6
85.02942	3.9
87.00861	2.0
89.02452	1.8
93.03464	6.1
95.01402	0.5
95.93787	0.4
96.00905	0.4
96.96025	1.5
97.06606	1.2
98.95591	0.5
99.00892	1.2
99.04520	1.3
100.04043	0.6
101.02431	3.9
111.00872	0.6
111.04552	1.6
113.02421	2.2
116.03539	0.5
119.03516	0.7
119.05005	3.2
121.02985	0.7
122.06217	0.4
133.03004	0.5
137.02441	1.3
149.20900	0.4
155.03513	1.7
161.04544	3.2
161.05759	0.5
163.04022	4.1
173.04533	17.8
174.04938	1.5
174.29181	0.4
187.07657	1.0
191.05595	5.5
192.05928	0.5
192.13966	1.0
202.06352	0.7
215.07112	0.8
223.13495	0.4
229.08574	0.7
267.15973	4.1
274.08417	0.5
277.22913	0.9
283.09085	0.4
287.03967	0.4
290.19003	0.5
305.08496	0.6
337.09372	0.6
371.15222	0.5
381.15524	1.1
399.23947	1.5
419.18936	0.6
441.21069	2.0
441.26288	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03441	1.8
59.01377	33.2
66.16736	1.1
69.43366	8.3
71.01378	29.5
73.02944	15.0
83.01379	4.9
85.02946	15.5
87.00888	1.4
89.02440	4.2
94.04346	1.1
95.01357	1.4
97.02921	1.4
99.00868	5.7
101.01789	2.6
101.02437	35.8
101.25098	1.3
113.02442	16.5
114.07125	1.0
129.01863	1.9
139.63080	1.3
140.29999	1.5
142.58907	1.2
142.99954	1.2
144.46388	1.2
159.02946	2.2
161.04565	12.1
174.82365	1.2
249.13409	100.0
250.13699	4.1
381.17642	70.0
382.17877	5.5
416.81671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01378	24.8
60.01714	0.6
60.10466	0.4
61.98818	1.4
67.01888	4.4
69.03436	1.2
71.01383	4.5
71.05012	0.5
71.55688	0.5
73.02950	0.9
78.95856	0.6
79.95750	0.4
81.03452	1.3
83.01392	0.6
83.05012	1.3
85.02935	2.0
87.00883	1.6
89.02436	0.9
93.03457	27.0
94.03780	0.6
96.96015	4.6
97.06595	1.9
99.00917	0.4
99.04502	0.7
101.02441	1.1
109.02949	0.7
111.00890	1.3
111.04516	5.9
113.02468	0.8
115.00359	0.5
115.42837	0.4
119.05000	4.5
121.02950	7.6
127.03990	0.9
135.04518	0.4
137.02443	5.0
145.78998	0.4
146.85590	0.4
151.82181	0.4
153.09190	0.9
155.03502	5.9
163.03992	7.1
165.12900	0.5
173.04536	100.0
174.04852	3.5
175.02525	0.4
179.10764	2.6
181.07167	1.7
186.06902	0.6
187.07622	1.5
191.05598	6.7
201.05563	0.9
201.09189	0.5
202.06323	1.2
209.11815	3.3
211.92261	0.4
213.14983	0.7
215.07149	1.1
227.12791	2.2
229.08670	1.3
230.09286	0.9
249.14963	0.4
267.15994	13.0
268.16373	0.8
274.08401	1.0
283.09045	0.9
305.08398	1.0
305.11716	0.8
337.09293	1.6
349.14441	0.8
354.12131	0.6
371.15109	0.6
441.21310	13.2
442.21732	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10188	0.8
59.01376	100.0
61.98811	2.8
67.15150	0.8
71.01367	1.9
71.55623	1.0
71.56005	1.5
73.80451	0.8
85.02902	1.0
86.02055	0.9
91.03996	2.0
96.95991	1.0
99.92630	0.9
109.06553	3.2
109.21169	0.9
111.04511	1.7
112.98476	0.8
114.47424	1.0
116.92876	1.4
127.07684	1.1
129.55830	0.8
141.32607	0.8
143.10736	1.2
159.59177	0.9
167.10703	0.8
183.35890	0.8
191.05556	1.3
195.13937	1.9
230.14819	1.5
245.19220	1.6
249.14880	0.8
289.18076	61.5
290.18381	5.0
307.19214	5.5
326.20700	0.8
363.21713	1.9
381.22449	1.1
388.91394	0.9
441.30350	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	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00573	0.4
59.01375	100.0
60.01702	1.1
61.98828	1.9
62.84662	0.4
67.01893	0.9
70.81011	0.4
71.01380	7.9
71.56456	0.6
73.02952	2.5
74.02473	0.5
80.96548	0.5
81.03445	0.6
82.95439	0.9
83.01395	1.1
83.05045	0.6
85.02942	3.9
87.00861	2.0
89.02452	1.8
93.03464	6.1
95.01402	0.5
95.93787	0.4
96.00905	0.4
96.96025	1.5
97.06606	1.2
98.95591	0.5
99.00892	1.2
99.04520	1.3
100.04043	0.6
101.02431	3.9
111.00872	0.6
111.04552	1.6
113.02421	2.2
116.03539	0.5
119.03516	0.7
119.05005	3.2
121.02985	0.7
122.06217	0.4
133.03004	0.5
137.02441	1.3
149.20900	0.4
155.03513	1.7
161.04544	3.2
161.05759	0.5
163.04022	4.1
173.04533	17.8
174.04938	1.5
174.29181	0.4
187.07657	1.0
191.05595	5.5
192.05928	0.5
192.13966	1.0
202.06352	0.7
215.07112	0.8
223.13495	0.4
229.08574	0.7
267.15973	4.1
274.08417	0.5
277.22913	0.9
283.09085	0.4
287.03967	0.4
290.19003	0.5
305.08496	0.6
337.09372	0.6
371.15222	0.5
381.15524	1.1
399.23947	1.5
419.18936	0.6
441.21069	2.0
441.26288	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	439.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16567	0.2
61.98829	100.0
70.13835	0.9
71.31968	0.2
96.96006	6.0
96.96606	0.3
113.07404	0.2
116.71713	0.2
133.06628	0.4
136.16803	0.2
165.05592	0.3
215.07162	0.2
255.48810	0.2
259.94110	0.2
266.03647	0.2
268.87280	0.2
311.28558	0.2
448.03687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92260	0.2
59.01373	1.1
61.98827	100.0
69.68512	0.4
69.68917	0.8
69.85100	0.2
71.01369	0.3
74.27618	0.2
76.75688	0.2
89.02428	0.4
96.53561	0.2
96.95389	0.4
96.96004	6.5
96.96597	0.4
98.02492	0.3
98.20621	0.4
101.02440	0.2
113.02441	0.5
128.57916	0.2
150.03212	0.4
162.71576	0.2
165.05591	0.3
180.04317	0.3
180.35799	0.2
180.58168	0.2
191.05637	0.4
195.06621	0.7
316.35168	0.2
344.99994	0.3
391.14047	0.3
407.48602	0.3
427.75293	0.2
439.17209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03449	0.4
59.01376	100.0
60.01703	0.9
61.94880	0.2
61.98829	0.5
63.79745	0.2
69.03448	0.2
69.44737	1.5
71.01380	3.4
72.02737	0.2
73.02937	1.3
83.01412	0.5
85.02948	1.9
87.00916	0.3
89.02466	0.3
93.03457	0.6
95.01418	0.2
96.96001	2.9
97.06583	0.3
99.00877	0.7
99.59625	0.2
99.73734	0.2
101.02436	2.7
108.08149	0.2
111.04498	0.2
113.02443	1.3
135.04536	0.3
143.03554	0.3
143.10764	0.9
147.20396	0.2
159.02942	0.4
161.04506	1.6
164.32555	0.2
165.42453	0.2
167.10390	0.2
173.04601	0.7
191.05641	0.6
281.05783	0.3
379.21490	0.3
397.22195	2.6
398.23126	0.2
439.14072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34171	1.1
52.71603	1.0
59.01380	69.2
60.01702	1.2
61.09336	1.2
61.98838	1.2
69.55327	3.7
69.55760	3.7
78.95908	12.0
82.55051	1.0
110.98534	11.9
152.99586	1.1
167.01181	7.3
185.02205	12.7
224.86145	1.0
225.22191	2.9
253.21623	1.5
265.58759	1.0
271.22775	100.0
272.23148	9.4
379.22778	2.1
439.24686	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14302	0.9
56.57295	0.8
56.57601	0.9
59.01377	5.8
69.23669	6.1
71.01380	3.2
72.28735	0.8
73.02941	4.3
85.02944	3.1
87.00858	1.0
89.02465	1.4
101.02435	11.5
113.02449	1.5
131.03494	3.4
143.03490	0.8
144.67175	0.8
161.04543	22.6
164.00256	0.7
225.96318	0.9
277.21701	100.0
278.22046	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	439.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	24.5
61.98823	20.5
69.57779	28.4
71.01384	17.5
81.36165	4.6
81.67613	4.8
89.02451	11.5
96.96026	28.3
98.20635	8.7
101.02479	8.0
140.95651	7.1
153.17033	4.6
161.04649	5.8
179.05649	5.2
203.10732	8.7
221.11826	27.0
241.14674	4.8
260.93109	5.0
379.16068	11.4
401.18137	5.5
403.19739	8.3
439.17047	100.0
440.16895	8.4
460.01965	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	439.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
59.01377	100.0
61.98815	5.5
69.42586	2.1
69.42999	8.2
71.01379	67.0
72.99297	2.1
73.02940	6.5
83.01391	3.3
85.02934	11.9
87.00838	2.5
89.02441	87.8
95.01395	2.4
96.96017	19.7
99.00886	1.7
100.53795	1.4
101.02438	36.3
113.02443	21.3
119.03492	22.4
131.03508	11.6
143.03484	5.5
149.04546	26.7
150.03163	3.6
150.04938	1.3
159.35768	1.4
161.04559	8.7
165.01669	1.5
165.05557	2.5
179.05608	27.7
185.20711	1.3
191.05640	7.6
195.06529	3.6
214.94710	1.3
247.11838	28.5
379.16040	71.4
380.16376	5.6
418.45111	1.6
439.17300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98832	100.0
63.99259	0.5
69.67620	0.5
69.68027	0.8
71.01405	0.4
79.95729	0.3
85.02966	0.3
87.00912	0.2
89.02436	0.3
96.96014	9.1
96.96957	0.4
101.02446	0.2
108.28233	0.2
113.02470	0.7
119.94413	0.2
133.06610	1.4
147.67084	0.2
150.03278	0.3
163.05452	0.2
165.01964	0.6
165.05591	0.7
178.61777	0.2
180.04327	0.4
191.05678	0.3
195.06613	0.3
215.07193	0.5
223.06125	0.5
228.47540	0.2
233.08055	0.5
244.41008	0.2
316.09659	0.2
391.14139	0.3
398.71176	0.2
439.17697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73819	5.6
59.01382	51.6
61.98816	18.2
69.53331	39.9
71.01385	38.0
72.28652	5.7
73.02944	8.8
74.30331	6.4
82.95411	32.3
83.01364	10.5
85.02928	11.2
85.34581	5.7
85.97791	5.8
89.02422	8.1
91.57114	6.3
93.03426	16.1
96.96013	100.0
99.00850	12.8
101.02435	24.3
115.66799	6.4
127.43568	5.7
134.03711	11.1
146.03722	15.1
159.04483	8.1
160.01595	8.1
160.05283	11.5
162.03244	34.1
173.04587	61.4
173.05974	7.8
174.03197	6.0
175.03947	17.2
176.04636	6.5
177.05565	42.8
178.06363	9.6
179.03503	8.5
185.06166	8.1
188.04718	34.2
189.05507	8.3
190.02715	15.3
191.05597	33.1
203.07208	12.7
204.04172	17.3
205.04971	18.1
205.08728	8.2
214.28258	6.9
216.04330	8.9
217.08661	16.6
219.06656	34.2
221.08092	23.6
231.06557	23.0
233.04646	9.3
235.06119	16.3
249.07684	28.0
251.05553	16.9
261.07666	7.0
273.07849	8.9
275.05569	21.1
291.08691	26.6
293.06638	27.5
307.17590	14.3
335.07663	29.2
353.08786	87.2
377.17639	6.1
395.09824	14.1
439.21616	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	439.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35359	0.4
57.03440	1.1
59.01382	52.5
60.01720	0.8
61.98822	2.3
63.00764	0.5
71.01388	3.8
71.55629	0.9
71.99924	0.5
73.02929	0.9
78.95902	1.3
79.95731	2.8
81.03419	0.5
83.05035	0.6
85.02957	1.5
89.02467	0.8
93.03446	2.6
96.96014	100.0
97.06587	0.7
101.02457	1.3
109.02984	0.5
111.04519	1.1
113.02456	0.8
115.00369	2.7
115.98279	0.5
119.05073	1.0
134.03809	0.8
135.04553	0.8
137.02423	0.7
144.00693	1.1
145.49944	0.5
155.03473	0.7
173.04526	6.2
191.05595	3.4
230.04265	0.5
253.08740	0.7
265.14423	0.5
271.05017	0.9
277.14600	0.7
281.56165	0.5
296.03290	0.5
321.13196	0.6
379.14847	0.6
390.58258	0.7
439.14377	2.6
439.19360	1.1
443.14069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00717	0.2
59.01374	0.8
61.98829	9.4
68.18073	0.2
71.01375	0.5
71.92324	0.2
74.92542	0.2
78.95898	1.8
79.95738	1.7
80.59653	0.2
89.02444	0.3
96.96008	100.0
96.96887	3.9
97.95921	0.3
98.02507	0.3
103.62429	0.2
115.00344	0.3
118.96635	1.2
132.98198	0.6
152.55566	0.2
156.98247	0.3
160.97705	0.5
210.99242	0.2
217.00314	1.6
222.68336	0.2
229.00450	0.3
229.05630	0.2
259.01312	0.7
266.48431	0.2
288.72546	0.2
340.44467	0.3
439.07846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33297	5.2
78.95898	14.7
82.18826	0.7
98.20643	1.8
104.84894	0.8
110.98524	9.1
152.99600	1.2
154.22289	0.8
158.13240	0.7
167.01123	9.9
185.02184	2.6
209.73297	0.7
269.24832	100.0
270.25177	6.8
283.26071	1.0
437.26703	22.0
437.32236	0.8
438.26984	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	438.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46310	0.2
59.01376	0.4
61.98830	100.0
69.15313	0.2
69.28957	0.2
71.54270	0.2
78.65121	0.3
78.95924	0.9
79.95746	0.7
83.73382	0.2
86.41080	0.3
90.50542	0.2
96.96011	29.3
96.96894	1.5
98.95605	0.4
119.05024	0.4
163.04060	1.0
169.20131	0.3
184.02528	0.3
191.05719	0.2
276.45947	0.2
438.03497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88853	1.6
51.46178	2.0
55.28105	1.6
59.01376	26.7
60.01706	2.0
61.98831	28.4
63.65502	1.6
69.66054	10.4
71.01378	9.4
73.02943	2.1
74.27517	1.5
83.01423	1.9
85.02950	2.6
88.03660	1.6
89.02440	5.6
92.27828	1.6
96.71342	1.7
96.96001	12.1
99.00880	2.0
100.97147	1.6
101.02442	7.7
108.04542	1.8
109.02953	5.7
113.02448	4.7
120.01248	100.0
122.06142	3.5
127.46612	1.9
134.06119	7.7
136.04028	20.1
136.07674	43.7
138.05588	2.3
150.05569	2.8
159.05650	2.6
161.04506	3.0
165.05573	2.6
166.01045	1.6
173.04497	2.6
179.05591	2.9
191.05592	4.2
195.06682	3.6
212.10818	5.3
230.11816	11.3
240.08971	5.2
247.11830	6.2
255.11368	76.3
256.11819	5.6
273.12439	53.4
274.12851	2.9
279.36353	2.0
282.12390	1.8
283.13269	3.2
298.15567	29.4
299.10400	17.6
317.11481	7.3
333.09143	6.5
342.14572	28.5
343.15051	3.3
379.16071	8.1
396.63098	1.9
401.14648	3.4
402.14905	5.0
438.12503	5.1
439.11935	4.6
439.17871	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	439.074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42368	0.3
59.01378	1.3
61.41151	0.3
65.02785	0.2
69.58286	1.6
71.01390	1.0
77.23822	0.3
78.95906	19.5
79.95735	2.2
82.91875	0.3
89.02454	0.9
90.47694	0.3
96.96011	100.0
96.96960	40.3
101.02442	0.6
105.22643	0.3
138.24356	0.3
142.76546	0.4
179.05629	0.6
191.05562	0.5
199.38390	0.3
201.69453	0.3
216.51862	0.3
217.27313	0.3
308.88165	0.3
325.78302	0.4
341.10928	1.8
425.31244	0.3
439.08368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.4
61.98826	100.0
71.01401	0.3
71.28352	0.6
96.95996	2.7
98.95605	1.8
98.96453	0.5
107.99077	0.3
115.92072	0.6
128.54385	0.3
137.67941	0.3
157.15428	0.3
163.04044	0.4
333.15234	0.3
357.00494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44285	0.3
59.01374	4.1
61.98827	100.0
66.35270	0.4
69.83965	0.3
70.03004	0.3
71.01388	1.0
71.55421	0.5
75.00873	0.4
88.23827	0.3
89.02452	0.5
94.92484	0.5
96.96010	0.6
98.02480	0.6
98.95572	0.3
101.02447	0.4
115.92117	0.3
117.39075	0.3
120.01257	0.4
130.61218	0.3
132.16293	0.3
163.04112	0.3
183.22736	0.3
185.02193	0.4
191.05626	0.6
223.59845	0.3
230.95338	0.3
255.11404	0.4
348.72559	0.3
358.92252	0.3
377.23553	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	437.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
60.99300	1.2
69.03445	1.7
69.90909	0.6
71.55971	0.6
71.56327	0.8
72.57053	0.6
76.65952	0.5
78.95895	32.3
85.02937	6.5
85.96752	0.5
96.11357	0.6
110.98524	52.5
152.99576	4.2
160.89339	0.7
167.01155	6.4
183.17543	3.1
185.02194	100.0
186.02501	1.3
197.19113	0.8
205.19551	1.5
221.19118	1.3
225.22226	1.0
251.20171	2.0
269.21182	13.7
270.21613	1.0
437.22983	12.4
437.28531	0.5
438.23703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.6
59.01367	28.4
60.29560	6.7
60.99257	5.4
61.98833	6.4
65.03970	10.5
69.03448	12.7
69.70514	28.6
71.01405	6.4
78.95891	7.3
81.03450	7.6
83.05023	9.1
84.70499	5.6
88.98786	7.8
91.05511	8.4
95.05028	14.7
96.96011	23.9
97.02952	6.6
97.06556	9.0
98.19950	6.0
105.01867	7.4
105.07041	8.7
109.06576	18.7
110.97584	44.1
110.98466	14.9
119.04927	6.1
121.06597	7.0
123.08141	7.0
125.09718	44.2
128.87851	6.8
135.08270	6.2
137.09674	6.2
149.09749	7.0
152.91737	49.4
153.09120	8.1
163.11304	17.7
167.90520	14.8
171.10254	99.9
172.88065	7.0
176.11984	7.0
185.02203	25.8
185.11768	12.0
187.14912	23.3
189.12823	7.9
194.92770	52.6
203.14381	23.2
207.10210	19.4
209.11835	23.0
211.13342	19.6
221.15446	7.4
225.11351	18.0
231.13876	67.1
237.14934	23.8
247.13312	48.6
249.14932	19.6
261.14902	6.8
265.14432	14.4
269.21158	15.1
329.24850	12.1
339.22971	12.6
345.03134	18.1
357.24304	17.9
367.99472	7.8
368.99466	6.8
373.23779	22.7
377.05676	26.8
383.22177	23.0
391.24774	22.3
399.10080	7.2
401.23251	100.0
402.23596	15.3
409.25839	12.5
419.24222	38.8
437.25726	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01278	0.4
57.03439	0.6
58.00595	0.6
59.01381	100.0
60.01719	1.2
61.98828	3.3
69.03465	0.5
70.87695	1.1
71.01376	4.9
72.99308	0.7
73.02952	1.7
74.30051	0.4
75.00873	0.7
75.68822	0.5
79.95809	0.4
81.03405	0.5
85.02945	2.4
87.00881	1.6
89.02450	2.8
93.03480	0.9
94.96263	0.4
94.96919	0.4
99.00876	0.8
101.02440	4.3
110.38537	0.4
113.02460	2.3
119.03553	0.7
125.09734	1.0
127.11317	1.9
129.01900	0.5
131.11349	0.5
137.14175	0.5
139.11369	0.7
147.02983	0.9
155.10725	1.0
155.70367	0.4
159.02983	0.5
161.04497	2.4
165.09163	0.6
167.84526	0.4
171.10313	1.0
173.04601	1.3
179.05734	0.5
191.05577	2.3
199.09776	0.6
201.11324	47.0
202.11749	2.0
209.11823	3.3
212.03011	0.5
227.12907	1.6
241.60077	0.5
253.09262	8.4
254.09622	0.8
377.18289	2.1
427.51581	0.5
437.20578	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	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03447	1.5
58.00591	0.8
58.44132	0.4
59.01379	100.0
59.27072	0.4
60.01699	0.9
61.98832	1.4
67.01891	0.8
69.03452	0.9
69.32854	2.3
69.33276	1.2
71.01382	27.6
72.01755	0.5
72.99306	1.1
73.02943	22.6
74.03261	0.5
75.00890	1.0
83.01389	6.2
85.02949	14.6
86.00090	0.8
87.00893	1.8
89.02437	5.0
93.03463	3.5
95.01387	1.8
97.02947	1.5
99.00877	9.2
99.08152	0.6
101.02441	30.2
101.09716	0.8
111.00900	1.5
111.04544	1.0
112.01690	0.5
113.02448	13.3
125.02458	1.6
129.01926	0.8
131.03500	1.8
137.02486	0.4
140.05257	0.4
143.03526	1.4
159.02995	2.9
161.04556	8.4
173.00975	0.7
173.04538	14.3
181.74066	0.4
191.05623	2.4
197.11815	1.3
201.11354	0.6
204.11508	0.8
208.30278	0.4
219.13901	1.5
245.13954	2.7
263.14990	33.1
264.15302	1.4
305.15973	3.1
358.32385	0.4
377.17850	2.5
395.19186	45.1
396.19559	2.9
416.84351	0.5
437.20251	63.3
438.20590	5.6
447.21936	0.5
448.40375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55412	0.5
57.03455	0.6
59.01379	100.0
60.01711	1.0
61.98834	11.0
68.31511	0.7
70.36897	1.2
70.37287	1.3
71.01381	5.4
73.02965	3.4
83.01397	1.7
85.02942	2.5
87.00908	0.7
89.02452	2.9
95.01392	0.6
96.95992	0.8
98.82764	0.5
99.00874	0.6
101.02441	6.0
113.02456	3.0
119.03500	1.0
120.01302	0.6
151.07700	0.8
159.02901	0.6
161.04549	5.0
163.07626	0.8
165.09138	0.5
173.04602	0.8
179.05618	1.1
203.10739	3.5
221.11813	8.9
222.12236	0.6
266.97208	0.6
355.98862	0.6
372.89243	0.6
377.18057	2.1
383.16888	1.1
401.18213	2.1
437.15704	18.2
438.15936	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	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
58.86973	0.2
59.01155	0.2
59.01376	2.1
60.25982	0.2
60.99309	0.4
67.01890	4.3
69.03448	0.7
69.28616	1.5
70.33273	0.2
71.01385	2.8
76.60597	0.2
79.95728	0.9
80.96519	0.3
81.03460	1.1
83.05026	0.8
85.02948	0.5
87.00872	0.3
93.03455	21.7
94.03777	0.5
97.02940	0.4
108.05798	0.3
109.02922	1.0
111.00874	0.6
111.04517	4.5
113.02476	0.2
113.06110	0.2
119.08638	0.3
122.03753	0.4
123.08161	0.3
125.06067	0.4
127.04002	0.5
136.05252	0.5
137.02429	3.2
137.06090	0.2
138.06847	0.7
139.07628	1.0
148.05247	0.3
151.07642	2.8
152.08386	0.8
153.09167	0.7
155.03474	3.3
159.11766	0.4
163.07599	0.5
167.07103	0.2
169.10808	0.2
170.91089	0.2
173.04535	100.0
174.04877	2.6
188.01414	0.3
188.19893	0.2
189.09244	0.4
189.12843	0.2
191.05618	0.5
201.12843	1.5
203.10765	0.9
204.11530	3.7
219.13890	3.7
220.14139	0.3
257.08429	1.6
263.12851	8.0
264.13107	0.4
275.09558	0.6
276.32867	0.2
437.14099	3.1
437.18207	6.2
438.13870	0.2
438.19080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00871	1.3
59.01379	77.6
60.76060	1.3
61.98830	100.0
69.83710	6.7
71.01392	10.5
72.99306	1.4
73.02939	5.3
75.89580	1.4
83.01389	1.5
87.00878	1.6
87.51807	1.3
89.02438	6.2
93.03459	3.0
96.96019	2.8
99.00880	1.6
101.02441	8.8
111.04479	1.8
113.02455	5.6
119.03480	3.0
120.01189	1.8
143.03542	1.9
149.04590	1.6
151.07629	2.3
161.04561	8.0
173.04515	3.5
179.05577	2.7
179.10924	1.9
191.05603	3.7
203.10768	7.3
221.11835	14.3
240.79898	1.5
241.61652	1.5
282.29071	1.5
357.00089	1.5
377.18137	3.9
377.23209	1.9
383.17090	1.4
401.18140	3.3
437.15750	37.6
438.15549	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	437.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01383	2.0
61.66452	0.4
66.60785	0.4
67.01883	0.5
71.01376	0.9
71.79487	0.3
73.02944	0.4
76.65259	0.3
78.95864	0.4
81.03416	0.4
83.05029	1.6
85.02956	0.8
87.00879	1.1
93.03460	4.1
97.02945	1.1
97.06573	0.6
98.20679	0.9
109.02929	1.0
109.06577	1.1
111.04536	4.6
113.06075	0.9
119.08641	1.2
121.06634	0.6
122.03725	0.7
123.04497	0.5
123.08162	0.6
125.06079	1.4
128.03299	0.4
129.01932	0.8
135.08134	0.8
136.05296	3.6
138.06828	1.0
139.07655	2.7
148.05302	0.8
149.06038	0.4
150.59131	0.4
151.07657	4.3
152.04756	0.6
152.08444	3.3
153.09166	1.3
155.03499	4.0
161.09764	0.8
163.07611	1.2
166.06303	0.4
173.04561	11.7
173.06036	0.8
174.04788	0.5
175.07693	0.6
185.09770	1.8
186.10432	1.3
188.08429	0.6
189.09210	1.7
191.05598	1.1
201.12856	10.8
202.13220	0.9
203.10764	6.2
204.11543	29.0
205.11926	1.9
219.13887	25.8
220.14201	1.8
230.09492	0.5
245.11827	0.9
263.12872	100.0
264.13208	5.8
437.18173	37.5
438.18774	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	436.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69786	0.8
59.01374	34.7
61.98827	24.9
66.03494	2.8
69.78738	4.6
70.02984	6.4
71.01382	3.4
73.02929	7.1
81.21655	1.0
85.02918	1.3
88.90141	0.9
92.43059	0.9
94.02940	1.5
96.04542	4.0
96.96013	8.8
97.95949	1.0
98.02471	28.9
100.04073	2.3
120.08201	2.7
123.08106	1.7
132.08145	1.5
136.07683	1.2
153.09174	1.6
187.13361	1.9
207.13869	1.2
225.14983	2.9
243.15965	3.6
308.18680	3.3
310.20346	4.5
320.18405	1.0
344.85919	1.0
376.23364	100.0
377.23795	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	435.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.1
69.89294	1.3
69.89680	1.5
78.95899	39.8
88.14317	0.5
90.43045	0.6
96.96006	1.2
98.20385	1.7
99.10243	0.6
104.53039	0.7
110.98527	52.0
132.95473	0.6
152.99571	4.8
167.01122	12.4
185.02184	100.0
186.02609	1.7
267.23267	30.5
268.23749	1.5
315.31464	0.7
333.89368	0.6
392.77328	0.6
435.15176	0.7
435.25119	18.7
436.25513	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	435.2746
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
57.03430	2.5
58.51324	1.0
59.01364	4.4
61.98818	1.3
65.03957	2.0
66.16741	1.0
69.03438	2.5
70.40604	0.9
70.40934	3.2
73.02928	1.3
75.49789	0.9
76.02269	0.9
79.05515	1.7
81.03440	2.2
83.05014	8.3
84.32323	0.9
85.06573	1.8
89.58249	0.9
93.03445	10.3
95.05003	2.6
97.06581	7.8
105.07072	1.4
107.05004	1.9
109.06577	5.1
111.08155	5.4
115.05587	1.8
119.05003	4.5
121.06573	1.7
123.05834	1.1
123.08133	3.5
125.09704	16.4
126.10052	1.1
127.11265	1.1
133.02930	1.2
133.06572	1.2
133.10211	1.0
135.08124	5.1
137.09712	3.8
145.44186	0.9
149.09721	2.7
153.09129	1.1
157.10162	1.3
163.11356	2.0
165.22580	0.9
171.10243	59.4
172.10606	2.3
175.11293	3.2
185.11778	2.3
187.14890	1.4
193.12376	1.5
201.12791	1.1
203.14381	4.0
205.15895	1.8
207.10271	1.0
209.11815	12.3
209.65636	1.0
211.13332	3.3
213.12868	5.2
215.14360	2.7
221.15565	1.5
225.14835	2.1
231.13843	11.5
233.15477	19.3
235.16978	2.0
245.15468	5.1
247.17000	19.8
249.14952	9.9
251.16412	1.8
252.13644	1.6
257.17581	1.3
263.16495	30.2
264.16769	2.2
309.20819	1.2
323.23624	2.4
331.26328	2.2
341.24869	2.8
357.24548	1.4
359.25833	3.8
367.22610	3.3
373.27615	1.6
375.25430	5.8
385.23752	11.9
386.24289	1.4
399.25226	1.2
403.24799	12.3
407.27933	3.6
417.26428	100.0
418.26816	11.2
435.27460	75.7
436.27982	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21334	0.2
52.37756	0.2
52.89777	0.2
57.03448	8.9
58.03775	0.2
59.01380	16.4
61.98844	1.2
62.27279	0.2
71.01387	2.4
71.56210	0.3
71.61021	0.2
73.02946	1.8
83.01391	0.5
85.02963	1.6
87.04517	20.4
88.04829	0.6
89.02427	0.7
93.03475	0.5
96.96039	0.3
99.00868	0.3
101.02435	1.6
103.04014	100.0
104.04362	1.7
113.02429	0.7
113.69437	0.2
119.05035	0.3
135.04515	0.5
145.12346	0.6
161.04576	0.6
167.03522	0.2
173.04605	1.1
173.05865	0.2
179.03531	0.3
179.80241	0.2
191.05634	0.6
277.03845	0.2
289.16528	0.6
307.17551	1.5
349.18704	0.7
435.26331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03448	8.6
59.01381	30.3
60.01702	0.4
61.98821	1.1
64.89877	0.3
71.01376	3.4
71.03783	0.3
71.56379	0.5
72.99335	0.3
73.02943	1.1
83.42127	0.3
85.02501	0.3
85.02938	1.7
87.04517	5.6
99.00887	0.4
100.87116	0.3
101.02439	1.7
102.79325	0.3
103.04013	100.0
104.04343	1.5
107.04980	0.3
111.04422	0.3
113.02467	0.7
119.05006	0.5
120.05399	0.3
135.04507	0.3
145.02939	3.2
145.12364	0.5
146.03287	1.3
161.04527	0.7
173.04535	0.7
191.05554	0.3
288.18323	0.5
289.18655	0.5
303.18127	0.4
375.23944	0.6
401.67203	0.3
435.21817	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12612	0.2
51.28833	0.2
55.01878	0.2
59.01375	29.2
60.01712	0.3
60.39104	0.2
60.78097	0.2
61.98824	1.2
62.23455	0.2
70.60509	0.6
71.01377	1.7
71.05011	0.2
73.02950	0.7
73.26740	0.2
83.01376	0.5
85.02943	0.5
87.04509	100.0
88.04846	1.3
89.02449	0.4
89.81692	0.2
93.03426	0.3
96.95969	0.2
99.13989	0.2
101.02423	1.0
113.02473	1.0
121.48853	0.2
123.31557	0.2
125.41665	0.2
142.45665	0.2
161.11783	0.7
173.04420	0.6
209.68167	0.2
290.00549	0.2
305.12997	0.2
305.16052	2.9
393.21228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03435	0.4
58.00589	1.4
59.01375	100.0
60.01701	1.2
61.98830	0.8
66.20195	0.3
67.63536	0.4
69.03455	0.7
69.93412	1.5
71.01376	31.6
72.99315	1.8
73.02943	28.3
74.03269	0.5
75.00868	0.4
81.03442	0.4
83.01381	4.7
85.02943	6.1
87.00893	1.6
89.02439	32.6
90.02764	0.5
95.01373	1.6
97.02933	0.9
99.00874	54.3
100.01201	0.5
101.02438	23.2
106.13140	0.4
111.00913	0.4
113.02443	16.0
119.03490	7.5
125.02444	3.1
131.03484	8.7
143.03476	2.9
149.04544	17.6
150.04883	0.4
151.98174	0.3
153.64243	0.3
155.03522	1.7
161.04543	7.4
179.05637	2.1
185.04433	0.4
191.05597	22.4
192.05888	0.5
203.05591	7.5
221.06613	0.8
233.06659	2.1
261.07614	0.4
261.13232	0.8
265.54156	0.3
299.55643	0.4
335.09546	0.3
375.16138	0.8
375.20367	0.8
393.17627	17.5
394.17755	1.3
435.18542	28.5
436.18713	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11212	8.5
59.01382	61.6
61.98830	100.0
65.53901	6.5
69.44785	52.0
71.01379	16.2
73.02964	9.0
81.24274	7.6
82.95393	8.7
87.00897	8.9
96.96022	17.5
102.37917	6.6
105.57119	7.3
113.02469	9.8
159.80652	7.1
171.10242	19.3
179.03389	7.6
191.05499	9.2
199.09741	66.9
381.23691	7.0
435.18347	17.1
435.26077	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11212	8.5
59.01382	61.6
61.98830	100.0
65.53901	6.5
69.44785	52.0
71.01379	16.2
73.02964	9.0
81.24274	7.6
82.95393	8.7
87.00897	8.9
96.96022	17.5
102.37917	6.6
105.57119	7.3
113.02469	9.8
159.80652	7.1
171.10242	19.3
179.03389	7.6
191.05499	9.2
199.09741	66.9
381.23691	7.0
435.18347	17.1
435.26077	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	435.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15250	0.3
54.46048	0.2
55.77024	0.3
59.01363	0.8
69.74822	1.6
79.95724	2.5
90.47961	0.3
96.96007	100.0
119.05024	0.7
127.78343	0.3
135.07768	0.3
163.03992	1.0
183.36183	0.3
184.97623	0.4
191.05725	0.4
239.98216	0.3
289.02405	0.3
308.18848	0.4
337.09332	0.5
354.28198	0.3
427.89554	0.3
435.06064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
70.04626	0.9
79.95734	2.2
80.63546	0.3
88.61893	0.3
92.48544	0.3
93.27167	0.3
93.27787	0.3
96.96008	100.0
97.95927	0.4
102.56886	0.3
119.05045	0.6
119.54379	0.3
134.13142	0.3
139.83011	0.3
141.27118	0.3
163.03984	0.6
184.97693	0.5
191.05632	0.5
192.46718	0.3
254.35245	0.3
281.00610	0.3
289.02393	0.4
435.06207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.1
59.01378	100.0
61.98822	2.1
71.01383	16.7
71.66557	1.0
72.99304	1.3
73.02554	1.3
73.02944	21.1
75.00858	1.4
78.91863	1.5
83.01394	6.5
85.02937	2.7
87.00872	1.6
89.02448	4.1
93.03445	4.4
96.95998	1.3
97.25655	0.9
99.00841	1.4
101.02438	17.7
113.02454	4.5
119.03445	2.1
123.63476	0.9
124.34052	0.9
125.09689	2.2
131.03464	2.1
133.01445	1.6
134.03674	1.1
135.02959	2.1
135.04497	2.6
143.03522	1.6
149.04506	2.0
155.03505	1.4
155.10748	1.1
161.04517	4.3
171.10213	2.3
173.04547	14.0
179.03421	1.1
187.09782	1.5
191.05627	5.7
199.09714	9.4
201.11325	1.2
217.08727	1.4
253.09312	2.2
261.07681	1.7
261.13376	1.7
314.11896	1.2
435.13181	1.7
435.18250	4.0
435.22424	4.0
436.06973	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	434.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01382	100.0
60.01715	2.2
61.98828	8.5
66.03497	2.6
69.58180	8.3
70.02969	5.2
71.01389	4.9
73.02957	12.2
76.99986	1.2
82.02988	1.6
83.76113	1.4
84.04547	1.6
85.02954	4.2
90.01427	1.3
92.05059	5.1
92.92789	2.2
93.03477	1.4
96.04564	1.9
96.96008	18.7
98.02477	23.9
100.04095	1.6
101.02433	1.7
102.93478	1.3
107.08683	2.1
108.04553	7.5
109.06530	1.3
110.06113	2.1
115.07709	1.5
120.85101	1.3
122.06084	2.5
124.00819	1.3
124.07644	1.6
128.07248	1.2
136.07730	2.3
142.25957	1.4
149.09679	1.4
167.10762	4.1
173.04561	3.2
180.74776	1.3
191.05623	3.7
221.15475	1.4
239.16464	3.5
252.16029	2.5
260.16742	1.2
272.16415	1.8
274.62790	1.3
290.17624	29.0
291.18259	1.7
302.17651	3.6
308.18695	51.2
309.19049	5.2
320.18634	12.5
326.19614	3.7
338.19662	10.9
339.19867	1.6
356.20786	25.9
357.20889	2.0
359.77982	1.6
374.21848	39.0
375.22043	3.0
434.09357	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01709	0.8
69.45280	1.1
69.45706	1.1
71.01383	2.3
73.02960	0.7
85.02982	0.9
87.00917	0.3
89.02423	1.4
89.98249	0.3
96.96066	0.3
101.02457	1.3
101.07292	0.3
107.30045	0.3
113.02466	1.2
119.03534	0.4
120.48834	0.4
125.31927	0.3
161.04576	0.8
167.48271	0.4
173.04588	0.3
191.05704	0.3
197.11870	0.5
209.11896	0.6
212.38820	0.3
286.06897	0.3
331.17667	1.1
373.18878	1.3
433.20175	1.4
435.28433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
57.03447	1.3
59.01382	30.1
61.47881	1.0
61.98830	23.9
62.79987	0.9
65.03980	2.6
70.68523	2.3
70.68849	1.2
79.05540	2.3
80.02663	1.4
81.03436	2.1
83.05015	1.8
90.63938	0.9
95.05014	1.9
95.33971	1.0
96.96001	1.0
97.06595	4.5
105.07102	1.7
109.06545	1.8
115.05545	3.1
123.08155	2.0
125.09742	14.9
125.87295	1.0
133.06570	1.7
135.08122	1.8
152.99580	2.3
163.11285	1.3
164.83464	1.0
185.09726	2.1
185.11867	1.0
187.11374	1.1
187.14911	2.7
191.10799	1.5
201.16481	3.3
209.11855	4.1
213.12857	3.9
223.13351	1.8
231.13922	7.7
245.15427	25.5
246.15747	2.4
247.13452	1.4
248.07993	2.0
249.14871	1.6
263.16553	3.3
339.23077	1.3
347.15741	1.1
373.23825	2.7
383.22235	3.1
401.23447	1.8
405.26416	1.9
415.24905	100.0
416.25134	13.2
433.06296	1.6
433.25937	22.4
434.26270	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	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43708	0.3
59.01377	100.0
60.01719	0.7
65.31522	0.3
68.30437	0.3
69.83611	1.3
71.01389	0.6
73.02927	0.4
87.50737	0.3
113.02447	0.4
153.05673	0.4
161.04620	1.1
181.05077	3.7
191.25851	0.3
196.07425	4.0
200.97398	0.3
205.87056	0.3
211.09758	8.1
211.11671	0.5
212.10205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29051	0.3
55.38681	0.3
57.39013	0.3
59.01377	100.0
59.96767	0.3
60.01713	1.1
61.98837	0.4
67.38522	0.4
70.08051	1.6
71.01372	1.9
73.02950	0.6
75.74055	0.4
82.90464	0.4
83.01410	0.5
84.88940	0.3
85.02938	0.6
89.02457	1.0
101.02432	1.8
113.02480	0.8
119.03472	0.4
128.69798	0.4
167.10774	0.4
195.19179	0.4
197.11839	2.7
209.11845	0.6
282.17941	0.4
331.17612	0.7
389.18112	0.9
395.94223	0.4
433.28668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58672	0.3
54.64508	0.2
55.01881	0.3
59.01377	100.0
59.53843	0.3
60.01714	0.7
61.77988	0.3
61.98826	3.9
70.92543	0.5
70.92870	0.4
71.01377	3.7
73.02940	1.4
83.01390	0.6
85.02964	1.3
87.00899	0.7
89.02444	2.3
93.03465	0.4
93.23739	0.3
95.01403	0.3
99.00894	0.3
101.02442	3.0
113.02449	2.3
119.03497	1.0
127.25412	0.3
136.11469	0.3
143.03473	0.5
161.04533	1.8
161.74344	0.3
173.04614	0.9
179.05605	0.8
191.05537	1.5
197.11826	2.4
209.11790	1.5
210.42363	0.3
227.12923	0.6
259.09778	0.5
259.19281	0.7
331.17651	2.1
344.41708	0.4
391.23541	0.5
433.20200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25563	0.4
51.53390	0.4
59.01381	35.4
60.01703	0.8
60.32739	0.3
61.01791	0.4
61.98831	100.0
63.26935	0.4
69.44313	0.8
69.44729	2.5
71.01392	5.3
72.87719	0.4
73.02952	6.1
83.01402	1.8
85.02959	1.2
85.65528	0.4
89.02436	2.7
91.95713	0.4
98.02468	1.4
101.02444	6.9
113.02442	2.6
117.25130	0.4
118.03784	0.5
119.03526	0.9
131.03514	0.8
143.03572	0.6
149.04579	1.1
161.04541	2.6
173.04610	1.4
188.27504	0.4
191.05615	1.3
196.16127	0.5
203.05804	0.6
204.11995	0.4
209.11797	0.7
221.06679	0.5
267.11310	0.4
283.06247	0.8
284.06506	2.4
311.05783	1.1
312.05960	4.4
313.06149	0.5
342.06989	1.1
360.23932	1.7
373.19086	0.5
432.10175	3.1
433.10190	0.5
433.20822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.2
61.88451	0.8
61.98835	100.0
70.13550	0.9
70.13901	4.0
78.95911	5.8
81.32524	0.9
96.84794	1.0
96.96069	0.8
118.95135	0.8
125.87397	1.0
140.70091	0.9
152.99539	4.7
154.00002	1.0
194.29913	1.0
234.23491	1.2
312.05899	1.2
415.24783	4.1
432.10104	1.3
432.22845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.5
60.92409	0.9
61.98828	100.0
70.70464	2.9
78.95904	12.0
92.04159	1.1
96.96005	5.2
96.96973	1.4
116.92878	1.2
125.09788	1.2
142.50745	1.1
152.99577	14.0
153.99939	2.3
159.48767	1.1
180.25478	1.1
231.13844	1.0
249.14835	1.6
351.50369	1.1
351.54660	1.2
352.75470	1.0
406.63065	1.1
415.24969	5.2
432.22623	2.4
433.25720	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
58.66415	0.3
59.01375	100.0
60.01712	0.9
61.98828	1.0
68.51499	0.3
69.38811	1.9
69.39221	0.5
71.01379	7.6
71.05025	0.7
72.99317	0.8
73.02948	2.3
74.02485	0.3
74.06740	0.4
74.43317	0.3
75.00890	0.3
83.01389	0.8
85.02941	2.6
87.00889	0.7
89.02429	4.7
93.03484	0.6
93.26281	0.3
95.01404	0.6
95.19189	0.3
96.96026	1.1
97.02959	0.3
98.03714	0.5
98.19938	0.7
99.00879	1.1
101.02447	4.5
109.06609	0.3
113.02437	3.2
118.75225	0.3
119.03526	1.7
119.04257	0.3
124.05317	0.4
127.07674	0.9
131.03525	0.3
137.02545	0.4
137.09613	0.4
139.07642	0.6
141.09291	0.3
143.03537	0.5
153.09254	1.0
154.32048	0.3
155.10759	3.5
155.11914	0.4
159.03119	0.4
161.04549	2.8
166.44531	0.3
173.04581	1.1
179.05638	0.8
180.99350	0.4
191.05675	0.9
227.16501	4.1
268.03622	1.6
269.04556	1.0
283.06235	0.5
311.05643	0.4
389.21890	2.9
410.39749	0.4
431.10016	1.8
431.18738	0.7
431.23947	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43656	0.3
57.03434	0.7
59.01381	100.0
60.01706	1.4
60.24245	0.3
61.01802	0.5
61.98834	15.6
71.01388	11.7
72.01720	0.4
72.99310	0.5
73.02940	5.0
77.03981	0.4
80.92297	0.4
82.18191	0.3
83.01392	2.0
85.02944	3.6
87.00904	0.5
88.98827	0.8
89.02448	5.6
93.03461	2.1
95.01405	0.4
97.02950	0.6
99.00901	1.2
101.02441	7.1
107.01409	0.7
111.04590	0.5
113.02437	4.8
117.03484	2.3
119.03506	2.6
119.04970	0.4
121.02976	0.5
125.02477	0.4
131.03467	0.4
134.03790	0.6
135.04538	0.8
137.02399	0.5
137.09653	0.4
143.03558	0.9
149.02509	0.4
149.04585	0.6
151.00458	0.5
155.03535	0.6
155.10789	0.4
159.02995	0.7
159.71059	0.4
161.02469	0.9
161.04568	4.1
163.04048	0.7
165.12848	0.6
173.04567	3.6
175.82277	0.3
179.03621	0.4
179.05568	0.9
191.05618	2.7
196.05356	0.4
197.06248	0.4
207.17142	0.4
209.15509	0.8
215.07114	0.4
240.04274	1.4
257.17526	0.4
267.03058	0.5
268.03748	21.6
269.04489	8.8
270.04852	0.6
281.04547	1.9
282.05325	0.7
283.06091	9.8
284.06433	1.3
295.06375	0.5
311.05615	18.6
312.06021	1.1
321.81476	0.4
323.05737	1.7
334.00928	0.5
341.06595	4.6
342.07013	0.5
344.10196	0.8
371.20761	4.0
372.21277	0.5
389.21973	2.1
413.08643	0.8
431.09821	26.8
431.22260	1.8
432.10022	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	2.6
57.03428	2.0
59.01381	25.1
61.87947	1.6
61.98823	5.0
62.28527	1.6
69.03439	2.8
71.01378	10.5
72.99313	16.7
75.00866	19.0
83.05029	3.6
84.02151	2.3
85.02956	2.3
87.00877	3.1
89.02464	4.1
93.03468	3.2
95.01441	1.8
95.04993	2.0
97.02945	4.4
99.00870	6.3
107.70889	1.7
108.02163	3.5
110.03725	2.0
112.98820	19.0
117.01917	5.2
117.03455	4.6
119.75785	1.8
121.02924	2.5
124.01630	6.0
124.98783	6.7
130.99828	1.8
135.02979	3.9
137.02441	2.3
142.99870	100.0
151.36684	1.6
159.04478	2.3
164.90417	1.7
173.00926	18.8
174.01691	21.7
177.12823	2.2
205.12352	3.8
207.13930	9.2
208.34525	1.8
217.12370	3.6
219.13988	3.6
225.15088	2.6
235.13388	10.2
245.11757	3.9
253.14378	2.6
263.12912	7.1
267.16000	16.7
268.03680	3.6
269.04385	2.2
277.14322	4.0
281.04590	2.8
281.14005	3.7
282.05270	2.3
283.06180	22.9
283.15616	2.2
295.06366	2.1
295.12210	2.4
295.15524	41.5
296.15738	5.2
311.05582	36.1
311.14999	3.8
312.05676	1.7
321.13239	4.0
323.05573	2.3
339.14389	10.5
341.06750	9.0
341.15948	7.6
353.15973	11.5
413.08640	1.9
431.09860	30.4
446.40775	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.4
57.60929	1.0
58.00578	1.7
59.01382	41.0
61.98828	5.8
68.99821	1.9
71.01383	21.0
71.55954	1.6
72.99310	46.8
73.02924	1.5
75.00873	12.5
83.01389	1.5
83.05045	2.6
87.00859	2.1
89.02450	24.5
93.03467	2.3
95.05044	2.7
97.02940	1.2
97.06617	1.9
99.00884	16.4
108.02177	2.8
109.02962	1.3
111.00859	1.8
112.98808	15.0
115.00352	3.1
117.01945	28.0
117.03289	1.7
119.05038	2.5
121.02959	2.5
124.01723	1.6
124.98801	5.4
127.00349	1.7
134.03728	1.2
135.03003	7.8
137.02415	2.1
140.98302	1.8
142.31714	1.3
142.99863	100.0
144.00122	2.5
159.04498	1.1
173.00923	20.8
174.01689	23.6
175.03928	1.4
175.11237	1.9
177.12836	2.9
187.11267	2.0
189.12808	1.5
193.12285	5.1
205.12314	2.9
207.11125	1.1
207.13911	2.7
217.12325	3.4
219.13853	2.3
225.14955	9.9
235.13380	4.8
237.14906	1.6
245.11870	3.3
253.14427	7.5
263.12897	4.7
265.14319	1.8
267.15887	2.2
277.14560	6.8
281.13904	13.9
282.14197	1.3
283.06113	7.1
294.14664	4.0
295.15488	25.2
309.17059	4.9
311.05640	13.8
311.14676	1.6
321.13330	4.8
331.43152	1.3
339.14365	3.6
341.06625	3.3
341.16174	2.2
353.16028	36.1
354.16205	3.1
369.35742	1.5
377.42520	1.2
431.09866	8.3
431.28574	1.9
434.70691	1.3
444.25046	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	431.1559
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
55.01878	2.7
57.03445	2.3
58.00593	1.5
59.01378	100.0
60.01704	0.9
60.99303	0.7
61.98827	52.1
66.33625	0.7
69.03470	0.8
69.45924	2.0
69.46351	3.0
71.01379	37.8
72.99322	2.1
73.02941	10.6
74.02496	0.7
75.00883	1.9
78.95937	0.6
83.01370	6.0
83.01732	0.5
83.13602	0.6
85.02953	16.9
87.00891	3.6
88.04060	1.0
88.98818	5.0
89.02450	9.7
93.03465	2.2
95.01411	2.4
96.95995	4.0
98.20598	1.2
99.00873	6.7
101.02437	30.4
105.01944	0.7
109.02989	1.1
111.00885	0.9
113.02445	13.8
115.00376	1.9
115.06926	0.6
116.07185	1.7
117.07507	0.9
119.03503	3.6
120.90556	0.7
125.02491	2.2
130.06215	1.2
131.03535	0.7
134.03856	0.6
137.02458	1.3
143.03508	2.1
151.04100	0.9
159.03003	3.5
161.02455	2.1
161.04541	18.0
162.22925	0.7
173.04570	5.5
175.02527	1.6
176.04785	1.9
179.03477	4.7
179.05702	1.0
191.05624	7.2
191.07124	1.1
194.05807	5.8
209.08171	16.0
210.08443	1.1
210.16185	1.1
257.10498	1.0
263.07721	1.1
267.18204	1.0
269.10269	23.5
269.13062	1.2
270.10745	2.0
283.06195	1.5
311.05682	1.6
316.18497	0.8
358.48181	0.8
401.22607	1.0
423.57245	0.8
431.10297	1.5
431.15665	24.5
431.22076	3.7
432.15958	2.8
432.21829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
60.99305	14.2
65.09401	0.3
65.42693	0.3
69.32463	2.3
71.01358	0.6
76.70604	0.3
87.00866	1.2
88.98803	100.0
89.02438	2.8
89.99133	0.9
92.16666	0.3
93.03442	0.5
137.02408	0.5
167.76529	0.4
177.71202	0.3
191.05661	1.8
341.10834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
60.99303	0.9
61.98816	0.5
71.01382	2.4
71.54636	0.5
73.02948	1.2
74.68283	0.4
84.26840	0.4
85.02921	0.5
87.00864	0.4
88.98792	3.6
89.02458	1.9
93.03462	73.8
94.03816	2.0
96.01008	0.4
96.96011	1.6
99.00912	1.1
101.02475	0.5
113.02488	1.0
120.01241	0.4
131.80116	0.4
137.02449	100.0
138.02788	3.9
161.04642	0.7
179.03479	0.6
191.05605	1.7
269.10696	0.5
299.07742	3.2
319.77316	0.4
341.14935	0.5
395.15500	0.5
404.18634	0.5
408.00299	0.4
431.11899	31.4
432.12158	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	431.0982
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03442	0.2
59.01109	0.3
59.01379	4.9
61.98810	0.3
63.02396	0.7
65.00328	0.6
67.23425	0.3
68.15958	0.2
69.23657	0.2
71.01328	1.0
71.84772	0.2
73.02918	0.4
74.17877	0.2
83.01354	1.1
85.02939	0.3
89.02453	1.1
93.03411	0.3
101.02434	0.6
107.01379	2.0
113.02423	0.7
117.03449	2.4
119.03522	0.4
121.03005	0.2
131.24451	0.2
135.04581	0.3
136.80948	0.2
148.01677	0.3
149.02452	1.9
149.99582	0.6
151.00374	3.6
156.05803	0.3
158.03743	0.3
159.04532	0.4
161.02522	0.4
161.04584	0.4
171.04507	0.9
172.05283	0.5
173.04497	0.5
178.49379	0.3
183.04515	0.4
184.05246	0.6
195.04436	0.5
196.05334	1.0
197.05862	0.3
200.04727	0.7
211.04015	1.7
212.04799	0.5
224.04718	0.3
225.05540	0.6
227.03561	0.3
239.03470	3.3
240.04243	4.3
241.04895	0.3
257.08154	0.4
257.17618	0.4
267.02917	1.7
268.03748	100.0
269.04465	29.3
269.07660	0.4
270.04904	1.4
281.04520	0.7
283.06119	2.1
311.05557	3.6
312.05945	0.3
323.05460	0.3
341.06662	0.9
357.72415	0.2
395.19119	0.7
431.09790	77.2
432.10123	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	430.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.9
60.01703	4.8
61.98829	100.0
70.76568	3.3
78.11670	1.7
96.96007	29.4
111.55044	2.0
120.19611	1.7
171.40012	1.7
283.06186	5.1
299.31488	1.7
300.28064	2.2
311.05524	6.3
341.06152	2.2
411.46185	1.7
431.09973	5.4
431.27502	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	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50943	0.7
59.01378	12.0
60.01723	1.7
61.01794	1.9
61.98828	100.0
71.56287	0.8
77.71221	0.7
79.95759	1.3
89.02399	0.7
96.96008	67.9
97.95949	2.2
98.95587	5.0
98.96428	0.8
99.92586	2.3
120.89703	1.8
121.94372	0.9
135.90204	0.7
158.74477	0.7
165.57715	0.7
220.37276	0.7
262.11874	0.8
283.06076	1.3
296.22330	1.1
311.05685	2.1
374.12500	1.1
431.09872	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	430.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.2
60.01699	0.8
61.01800	0.8
61.98826	100.0
70.05560	2.8
79.95743	1.1
94.92496	0.7
96.96007	39.5
98.20525	0.7
99.92603	2.1
115.92036	1.0
117.63489	0.7
118.90000	1.3
153.55949	0.7
192.42703	0.6
202.73276	0.6
283.06204	0.7
311.05765	1.8
331.19043	0.8
341.06519	0.8
364.37991	0.7
431.09912	1.5
431.28314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0978
Annotation	Vitexin
Peak:m/z	Relative Intensity
51.53981	0.4
57.50900	0.5
59.01331	0.6
70.69933	0.6
77.03950	1.1
85.48424	0.5
93.03471	0.8
98.19881	1.5
105.03461	0.7
117.03455	6.1
121.02918	0.9
135.04504	1.2
147.04562	0.6
149.02454	1.3
159.04515	1.4
161.02403	2.9
163.00397	0.6
163.03973	1.9
165.01968	0.7
179.03613	0.5
191.03456	1.2
192.24861	0.5
203.03474	1.1
211.07440	0.5
215.06975	0.5
225.05707	0.6
229.31349	0.5
237.05612	0.6
239.07108	1.0
243.06572	0.7
268.03757	1.6
269.04575	3.4
281.04559	3.9
282.05438	2.4
283.06094	48.2
284.06461	3.9
293.04523	1.8
295.06155	2.1
309.03885	0.8
311.05579	100.0
312.05902	8.2
314.04343	0.9
323.05475	4.9
341.06573	13.8
342.06955	1.0
353.06677	1.0
383.10550	0.5
414.24005	0.6
431.09772	58.4
432.10120	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	1.3
60.31364	0.4
70.77998	0.8
88.48465	0.4
89.02481	0.4
91.04037	1.7
96.95993	0.5
125.32575	0.4
145.27409	0.5
160.52402	0.4
195.13893	1.0
277.21765	0.8
295.22757	11.0
295.25864	0.7
296.23145	0.8
301.03146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
60.22805	0.2
61.98832	100.0
69.74962	1.7
71.01386	0.4
73.02957	0.3
84.22113	0.3
85.02969	0.7
88.98820	0.4
89.02508	0.3
93.03454	0.7
101.02466	0.5
116.07195	1.0
119.43559	0.3
130.06245	0.9
130.12257	0.3
168.66071	0.3
173.04628	0.7
191.05600	1.7
193.05197	0.4
193.26222	0.3
209.08287	0.8
238.12874	0.4
269.10318	2.2
276.82819	0.3
356.23395	0.4
370.17114	0.8
371.25732	0.6
400.22104	1.0
430.23175	1.6
431.15802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
59.04549	0.4
61.98827	100.0
69.83405	1.7
71.01383	1.0
73.02961	0.4
85.02949	0.7
89.02452	1.0
93.03464	0.6
98.20042	0.5
99.00899	0.3
101.02435	0.8
113.02456	0.5
115.19552	0.3
119.05003	0.4
134.03780	0.8
137.87936	0.4
144.72638	0.4
161.04546	0.5
173.04642	0.7
191.05571	1.7
193.05017	0.7
236.12132	0.5
326.28564	0.4
360.47388	0.4
370.16922	0.5
393.95139	0.4
431.15704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.00596	0.4
59.01377	100.0
60.01714	0.9
70.08341	0.3
71.01379	11.8
71.55457	0.6
72.99332	0.4
73.02933	3.0
75.00881	0.3
78.25443	0.4
83.01389	0.9
85.02933	2.6
87.00862	0.8
89.02438	13.6
93.03452	1.7
95.01401	1.3
98.70697	0.3
99.00877	0.5
101.02444	6.2
104.76965	0.4
111.04524	0.8
112.41999	0.3
113.02444	7.8
113.03242	0.4
119.03491	4.6
131.03499	0.8
143.03546	0.9
155.03532	0.5
161.04590	2.6
163.11314	0.7
172.53914	0.4
173.04549	4.8
173.43501	0.3
179.05606	2.9
191.05658	0.8
225.15056	0.8
239.10657	0.3
255.16039	2.5
269.88849	0.4
369.19156	2.1
387.20178	1.8
429.21475	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	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13786	0.5
50.14008	0.5
59.01377	100.0
59.21171	0.6
61.98838	1.2
68.95658	0.5
69.55126	3.0
73.55122	0.5
82.01549	0.6
96.95980	0.6
142.60838	0.6
166.42680	0.5
182.38092	0.5
220.51033	0.6
254.05409	0.5
273.77057	0.7
419.00931	0.6
429.30225	1.3
444.83298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93859	0.5
59.01382	100.0
60.01713	1.0
61.98823	0.7
69.45505	1.6
69.45934	1.4
91.04029	2.1
96.96001	1.1
98.20700	1.0
112.45547	0.4
143.74825	0.5
184.81770	0.5
195.13918	1.2
277.21991	0.9
283.32712	0.5
295.19467	0.6
295.22787	13.6
295.25916	0.9
296.23117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.9
60.61058	0.4
69.44572	3.1
71.01385	3.6
73.02948	1.4
80.26778	0.5
83.01376	0.5
85.02950	1.6
89.02454	1.2
98.20691	1.0
101.02444	2.5
113.02453	1.2
119.03524	0.6
123.08181	1.3
134.03859	0.4
137.00768	0.5
137.09773	0.5
161.04614	1.4
163.11336	0.8
171.10274	0.5
189.12863	1.6
207.13861	2.9
225.15015	1.1
226.84833	0.5
321.13550	0.5
369.19391	1.6
387.20123	2.3
429.21448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13941	0.7
57.03441	2.7
57.70917	0.7
59.01377	100.0
60.01751	1.1
69.03461	1.1
69.40627	1.8
69.41039	4.7
70.29626	0.7
71.01379	24.8
71.01778	1.2
72.99308	1.1
73.02942	9.7
83.01385	3.8
85.02953	7.4
87.00886	2.5
89.02438	15.1
89.02937	1.3
93.03486	1.1
95.01398	2.0
99.00861	1.6
101.02436	17.4
113.02440	11.5
119.03506	6.7
137.09734	1.1
143.03528	2.9
146.93375	0.7
152.08403	1.0
161.04546	2.4
173.04631	2.2
191.05632	2.2
192.68732	1.0
197.15504	0.9
198.54224	0.7
207.13962	1.9
225.14938	11.0
301.99271	0.9
316.31863	0.7
369.19150	33.3
370.19678	2.5
387.20193	45.0
388.20605	4.5
429.21347	17.2
430.21991	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57070	0.1
59.01376	0.5
59.05067	0.2
60.35941	0.1
70.69199	0.5
99.00882	0.2
99.92595	4.8
100.76728	0.2
100.92673	0.2
100.93367	4.6
115.92081	100.0
116.92085	4.1
116.92870	5.6
117.92462	0.2
120.56586	0.2
132.92317	1.2
142.94412	0.4
155.95222	0.3
172.95473	4.9
173.95499	0.2
233.88702	0.2
255.23361	0.8
255.88049	0.2
350.86020	0.2
351.75626	0.2
355.15775	0.5
371.15228	0.3
381.17438	0.9
411.18655	0.2
429.19528	5.9
430.19696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
58.00632	0.3
59.01377	100.0
60.01721	0.6
71.01383	6.1
71.56407	0.4
73.02567	0.3
73.02958	1.3
83.01392	0.6
85.02948	1.8
87.00891	0.5
89.02442	4.8
99.00874	1.7
101.02448	3.3
103.92419	0.3
113.02461	3.6
119.03504	1.2
131.03371	0.3
137.09682	0.3
141.13420	0.3
143.03491	0.4
149.04559	1.0
149.79521	0.3
153.09225	0.4
161.04529	1.7
171.10300	1.2
173.04565	0.9
179.05701	0.8
189.12868	1.3
191.05600	1.6
207.13960	0.5
209.11852	0.3
209.36226	0.3
297.04214	0.9
315.16385	0.3
369.19226	1.8
387.20178	2.2
393.17572	8.3
394.18054	0.5
429.15710	0.6
429.21741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33487	2.3
59.01378	15.0
61.85481	2.6
61.98828	16.6
71.01382	20.0
71.23953	4.4
72.39861	2.0
73.02933	5.7
77.65115	2.3
84.95116	3.4
85.02938	7.8
86.02507	3.1
87.00874	100.0
89.02428	8.4
96.96004	12.8
101.02448	16.0
113.02449	6.2
115.00370	5.9
116.01437	2.6
123.98891	2.4
128.31406	2.3
134.04698	4.6
136.55759	2.2
161.04568	7.6
191.05664	2.9
219.50241	2.5
237.09814	23.4
272.03299	2.6
276.14517	14.4
278.36789	2.5
341.10901	9.9
369.13919	29.8
374.21820	5.1
376.11862	2.4
392.23056	14.0
428.20520	85.9
429.20792	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	429.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55561	0.4
58.66651	0.4
59.01382	1.7
61.98829	0.4
70.36722	1.2
71.01392	1.3
74.79935	0.3
83.38589	0.4
84.03578	0.4
87.00876	100.0
88.01215	1.4
89.02461	1.4
101.02422	0.6
113.02472	0.6
115.00380	0.9
119.03459	0.7
179.05594	0.5
216.36830	0.4
302.02997	0.4
341.10849	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	429.1246
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
53.93721	0.3
54.61283	0.3
59.01375	1.7
69.46634	2.6
71.01373	0.7
78.63168	0.4
87.00874	100.0
88.01219	1.2
89.02435	2.3
95.11242	0.4
119.03508	0.9
137.23834	0.4
159.11409	0.4
179.05611	0.9
192.75249	0.4
341.10812	6.4
429.12506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77141	4.4
59.01379	100.0
71.01378	8.6
73.02976	5.9
89.02486	4.8
90.46363	3.8
96.96037	20.7
98.19898	13.6
99.27700	4.3
117.55897	3.9
124.04123	3.8
173.04536	4.3
412.55731	4.4
429.15570	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	429.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51891	0.2
59.01383	2.7
61.98820	0.7
64.99438	0.2
71.01377	0.4
78.95887	0.5
79.95735	1.6
81.67265	0.2
96.96008	100.0
99.92579	0.8
115.92071	0.3
118.89992	0.7
127.12188	0.2
129.48477	0.3
134.89465	0.3
143.90411	0.2
165.13152	0.2
185.11766	0.3
190.95064	0.4
324.06177	0.3
393.13187	0.6
429.15897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33134	0.5
59.01376	100.0
60.01714	0.6
61.10292	0.5
61.98840	0.7
66.89078	0.5
69.60085	2.3
71.01373	0.5
74.38750	0.5
91.04025	0.5
92.92812	0.6
96.95988	3.7
99.70248	0.6
176.12152	0.5
235.17017	4.5
275.20160	7.8
276.20370	0.6
293.21265	4.9
295.41730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01727	0.7
61.98838	0.7
65.99454	0.5
71.56605	0.9
80.91628	0.5
135.26999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49594	0.5
59.01377	100.0
60.01701	0.7
71.55272	0.7
91.04025	3.8
92.92714	0.6
119.57602	0.6
195.13971	0.7
204.19728	0.5
215.32098	0.6
224.48705	0.6
275.20105	1.0
293.21237	14.5
294.21524	1.2
311.22467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98830	0.6
71.26521	0.6
71.26857	0.5
78.71721	0.4
99.64854	0.4
106.97441	0.4
117.22989	0.5
136.68646	0.4
163.81987	0.4
256.07739	0.4
293.21149	2.8
330.05637	0.8
332.78421	0.4
338.28659	0.5
367.13776	1.4
384.52618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01711	0.7
61.98844	1.6
66.86555	0.5
69.16712	2.5
69.17133	2.5
70.02788	0.4
72.71432	0.5
77.68482	0.4
96.96019	6.5
98.20632	1.2
104.86372	0.4
118.89981	0.5
129.50821	0.4
166.41864	0.5
192.39964	0.5
193.38615	0.4
293.21347	2.6
384.14749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03436	2.0
58.00586	0.7
58.16354	0.5
59.01375	100.0
60.01699	1.0
61.98823	10.4
69.35606	2.9
69.36015	1.2
71.01378	27.5
72.99310	1.1
73.02943	9.1
73.62744	0.5
75.00858	0.9
83.01384	3.7
85.02946	9.5
87.00861	1.3
89.02441	11.7
95.01373	3.0
97.02993	0.5
99.00915	1.2
101.02436	15.9
113.02442	18.6
119.03484	4.1
123.08157	0.6
131.03519	1.4
135.08029	0.5
143.03517	2.4
147.08186	1.0
149.04576	1.3
153.09248	3.4
161.04552	8.4
165.09204	0.9
173.04578	1.5
179.05681	2.4
186.59355	0.5
187.11284	1.9
191.05646	1.1
195.65804	0.6
203.10846	0.6
204.11403	0.6
205.12300	13.9
206.12558	0.9
221.08224	1.0
223.13344	3.3
233.63696	0.5
367.17572	9.7
368.17947	0.9
375.29254	0.5
385.18616	8.1
427.19995	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03190	0.4
57.03441	2.7
59.01374	100.0
60.01722	1.3
61.98831	2.8
62.91902	0.5
66.13462	0.5
69.03470	1.7
69.40302	4.1
70.49181	0.5
71.01379	13.8
73.02935	7.9
83.01359	2.7
83.05010	1.3
85.02946	4.7
86.00091	0.7
87.00874	2.1
89.02451	4.5
90.71828	0.6
93.03450	1.8
95.01403	1.2
96.95996	0.6
99.00890	1.6
101.02436	9.4
102.22787	0.6
111.00893	0.7
111.08144	0.8
113.02443	6.1
119.03493	1.8
125.02486	1.0
131.03479	0.9
135.04491	0.7
137.02435	0.7
137.09720	1.1
147.08165	0.6
155.03516	0.6
161.04541	1.7
161.09727	1.3
163.11261	8.8
165.09177	1.2
173.04552	4.2
179.10706	2.9
181.12323	20.6
182.12645	1.3
187.11246	2.8
189.12843	3.5
190.09984	4.0
191.05661	1.1
203.05585	0.9
204.11482	0.7
205.12300	6.3
205.13823	0.6
223.13406	2.1
229.12202	0.6
247.13428	0.9
253.14499	0.6
349.16599	0.7
364.89047	0.6
367.17715	1.1
385.27209	1.3
401.91400	0.6
427.19635	6.8
428.27017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98834	1.0
68.93095	0.7
71.01381	0.6
71.56094	0.5
75.00872	0.9
78.95911	3.6
79.95737	2.6
82.68052	0.7
96.96015	100.0
96.96910	7.2
121.94470	0.6
150.59146	0.5
171.10341	0.7
173.04591	1.3
174.56483	0.6
186.82333	0.6
196.76138	0.5
211.13443	1.7
229.14455	1.3
263.06079	0.7
265.07602	4.1
267.09137	6.9
278.67825	0.6
281.07001	0.6
309.10153	3.0
327.21765	1.8
329.23322	4.9
334.88754	0.6
367.18045	1.7
427.20071	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03446	0.5
59.01381	100.0
60.01719	0.9
61.98830	0.9
64.65800	0.3
69.03468	0.4
69.34097	2.2
69.34502	0.5
70.28235	0.3
71.01385	9.5
72.99326	0.4
73.02950	2.7
78.95901	0.6
82.95435	0.4
83.01408	1.0
85.02956	5.2
87.00886	0.4
89.02451	2.4
93.03470	0.4
95.01402	1.1
96.57973	0.3
97.02961	0.9
99.00883	0.8
101.02438	3.2
111.04516	0.5
113.02452	7.0
119.03529	0.5
125.09734	0.4
131.03514	0.4
135.04510	0.4
136.05333	0.9
138.06853	2.6
139.07741	0.4
143.03537	0.8
145.44664	0.4
146.26210	0.4
150.87773	0.3
151.07677	2.9
152.08432	9.0
153.09215	16.2
154.09569	0.4
161.04535	2.4
163.04001	0.4
163.11314	0.8
165.09174	0.7
173.04588	1.4
175.48395	0.4
187.11333	0.4
190.10043	0.6
191.05664	1.0
205.12334	9.9
206.12816	0.5
223.13342	2.2
249.13560	1.3
257.72528	0.3
258.97870	0.4
367.17624	8.1
368.17838	0.5
381.17786	0.9
385.18790	1.4
427.19757	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	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09932	0.4
52.04421	0.3
55.01874	0.8
57.03447	1.4
58.00597	1.1
59.01377	100.0
60.01712	0.7
69.03456	1.2
69.51701	2.4
71.01379	34.8
72.01716	0.4
72.73921	0.3
72.99304	1.8
73.02943	44.2
75.00881	0.8
78.54433	0.3
81.03439	0.5
83.01382	11.7
85.02950	6.3
87.00880	1.6
89.02441	13.5
89.53339	0.4
95.01383	1.5
97.02979	1.0
99.00871	1.1
99.04533	0.8
99.90003	0.3
101.02438	38.0
102.02736	0.7
107.05001	0.5
111.00951	0.4
113.02447	14.7
119.03488	5.0
123.08173	2.3
125.02406	2.1
125.09671	0.5
131.03479	3.4
135.08122	1.2
143.03485	3.1
147.08081	1.2
149.04567	4.1
153.08084	0.5
153.09210	8.5
155.03444	1.3
161.04541	11.6
161.09654	0.5
165.09117	0.3
168.48395	0.3
173.04469	1.3
177.12834	0.4
179.03352	0.3
179.05600	2.1
179.10529	0.5
184.27553	0.3
187.11234	1.7
190.09857	0.6
191.05531	0.5
203.05490	1.0
203.10631	0.5
205.12332	12.1
206.12527	0.8
209.11668	0.4
221.06494	1.2
223.13405	2.3
224.42986	0.3
253.14275	1.2
367.17642	5.1
368.17633	0.6
377.26514	0.4
385.18674	7.0
386.18567	0.5
427.19702	5.8
428.19507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
55.77305	0.9
57.03444	2.9
59.01380	42.6
61.37388	1.1
61.98829	8.7
67.61491	0.9
69.03448	1.0
70.04626	3.9
70.55366	0.8
71.01382	35.7
71.21574	0.9
72.99300	1.1
73.02947	17.2
83.01387	9.3
85.02951	20.3
87.00901	2.0
89.02453	6.6
95.01392	2.1
97.02947	1.0
98.20609	1.0
99.00886	7.2
101.02445	37.7
111.00916	1.2
113.02462	17.9
129.01938	1.5
131.03519	1.7
134.03734	0.9
143.03511	1.7
153.22418	0.9
159.02997	2.9
161.04565	17.2
223.29868	1.0
235.11867	100.0
236.12231	5.6
303.06409	1.3
367.16055	86.9
368.16409	6.1
446.22836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79975	1.1
59.01376	100.0
62.52428	1.1
69.71366	5.2
71.01374	18.2
73.02940	15.9
83.01378	6.0
85.02936	5.1
89.02449	4.5
95.01366	1.7
95.05046	1.5
97.02948	2.6
99.00869	2.0
101.02439	12.8
113.02451	10.0
113.06096	1.3
119.00795	1.1
119.03472	1.4
123.08157	2.0
125.06046	1.7
134.32829	1.1
136.05257	2.1
138.06857	14.3
139.07658	5.1
151.07645	11.0
152.08415	28.7
153.09203	67.9
154.09590	2.8
161.04524	6.4
163.11255	2.3
165.09239	1.3
173.04427	1.0
190.09883	1.1
205.12311	24.4
206.12733	1.8
223.13403	9.7
296.99814	1.2
367.17572	6.5
385.18530	4.0
394.97861	1.2
427.19992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33230	1.4
59.01383	19.1
59.67912	1.3
60.99300	13.4
61.98830	32.8
69.03445	2.6
71.01397	14.1
71.55481	1.8
75.00866	8.6
83.01394	9.6
85.02950	5.1
87.00870	7.3
88.00404	15.7
88.98807	100.0
89.02451	5.2
93.03448	14.0
95.01392	1.6
96.96002	4.9
101.02439	6.9
108.02133	1.5
109.02939	1.9
111.04501	2.3
113.02427	3.8
119.03473	2.0
119.05028	13.1
120.05336	1.5
129.01982	3.7
134.03690	3.0
135.04507	5.0
137.02425	3.5
137.74756	1.3
145.37587	1.3
147.04399	1.5
148.05289	15.8
149.02486	1.8
149.06004	1.9
155.03487	2.7
159.04567	2.9
160.01636	4.5
160.05186	1.6
161.02441	2.9
162.03249	1.6
163.04002	19.2
163.07640	16.5
173.04546	80.2
174.04842	2.0
175.03998	11.0
176.04573	2.1
177.05544	1.8
178.06320	6.9
179.07057	1.6
187.03983	3.0
188.04765	14.9
189.05403	1.7
190.02670	1.3
191.05621	15.5
191.07169	2.5
196.33446	1.5
203.07150	3.5
204.04189	1.8
205.04996	3.2
206.05875	4.8
209.02737	5.2
221.08177	15.0
223.06059	1.6
232.03693	1.9
247.06168	12.2
247.90495	1.5
253.07367	1.4
265.07144	5.5
266.68182	1.5
280.95071	1.4
295.13144	2.1
303.07288	9.5
337.09320	24.8
338.09613	3.2
383.13556	10.7
383.18155	2.1
423.66534	1.6
427.06903	6.1
427.12399	33.1
428.07385	1.6
428.12662	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	426.1903
Annotation	CHEBI:91220
Peak:m/z	Relative Intensity
59.01369	7.5
61.98826	19.8
70.06078	16.4
70.09058	3.2
71.01409	5.9
73.02921	5.8
78.95907	13.5
82.95420	7.6
85.02965	4.5
88.98788	7.7
89.58317	3.3
96.96013	12.8
98.11912	3.5
101.02354	3.2
119.05011	4.4
122.06130	6.8
134.04747	5.3
147.04482	3.6
158.92506	4.2
163.04007	7.2
164.07182	3.8
188.04791	7.7
203.07063	4.9
206.05785	6.8
221.08134	15.7
324.18130	21.7
336.17853	4.4
354.19000	6.1
372.20227	13.8
390.21362	38.3
426.19031	100.0
427.12103	5.1
427.18982	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	426.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.8
61.98843	38.0
65.90795	7.0
69.49830	49.8
71.01397	14.9
73.02951	9.9
78.95918	14.0
85.02984	7.2
88.98820	14.9
91.12843	6.9
96.96029	40.2
99.00896	7.9
110.06142	7.2
122.06063	9.1
140.27486	7.1
154.72818	6.4
158.27936	7.4
160.04065	17.9
161.04562	11.0
163.04010	21.9
186.40521	7.5
191.05571	13.6
192.06548	12.1
306.17142	9.1
324.18192	28.4
336.18402	8.4
342.19067	13.9
354.19150	10.9
366.08450	9.8
372.19919	11.0
390.21359	62.7
408.18234	9.1
426.10327	35.1
426.19028	100.0
427.19183	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	427.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78885	1.5
56.05306	1.3
56.49509	1.5
59.01373	6.4
60.99304	12.8
61.98825	4.1
64.17853	1.5
71.01385	2.3
71.55287	2.0
76.28030	1.3
85.02942	3.4
88.98801	100.0
89.99159	1.5
93.03471	3.9
96.96046	2.6
100.19684	1.5
101.02422	2.6
111.04501	2.0
119.05025	33.4
120.05371	1.9
145.02957	1.9
163.03996	67.6
164.04352	2.1
173.04599	5.4
188.04819	2.0
191.05600	26.2
203.07149	2.9
203.95399	1.7
204.36012	1.5
211.09854	2.5
217.38191	1.6
221.08165	2.6
226.14963	1.4
240.39122	1.5
337.09250	26.0
338.09473	2.4
367.16092	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01380	100.0
60.01710	0.7
61.98819	0.6
65.34518	0.4
65.34885	0.4
66.50563	0.4
68.79704	0.4
69.60626	0.9
69.61037	2.0
71.01383	14.9
72.99311	3.4
87.00871	0.6
88.15650	0.4
92.92809	2.8
96.96008	1.2
107.08678	0.5
111.08175	0.4
112.98600	0.5
115.00379	8.0
123.85302	0.4
124.56685	0.4
133.01424	5.0
139.11302	1.2
152.99631	1.0
154.47070	0.4
155.10834	0.4
165.12802	0.5
167.10794	1.1
172.60260	0.4
185.11758	0.7
197.15457	0.4
199.13451	0.5
213.11304	1.2
240.13753	1.0
247.20718	1.1
273.18524	0.7
291.19644	9.8
292.19873	0.8
309.20703	53.8
310.21063	4.2
407.20740	0.8
435.30450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10818	0.3
50.58319	0.3
55.98026	0.3
59.01369	1.8
61.98820	0.7
62.78573	0.4
66.40984	0.4
69.03458	0.4
69.39246	0.4
70.08070	1.7
71.01373	1.9
78.01706	0.4
83.05009	0.5
95.58958	0.4
96.95997	4.0
115.00347	0.9
128.87875	0.5
134.04688	0.7
165.12820	0.6
177.12785	0.5
183.13890	10.2
184.14227	0.6
193.12314	1.3
195.13889	24.0
196.14215	1.1
196.43842	0.4
197.15456	0.6
209.11801	0.4
211.13377	32.6
212.13695	2.2
213.07961	0.4
213.14928	9.6
223.13387	0.7
291.19632	1.9
309.20779	3.5
315.26947	3.6
333.27887	0.6
341.24860	0.5
359.25940	2.8
377.26959	3.5
389.26971	0.7
395.28149	1.1
407.28085	1.0
425.29059	100.0
426.29523	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	426.19
Annotation	CHEBI:91220
Peak:m/z	Relative Intensity
50.79863	0.9
53.69784	0.8
55.35127	0.8
57.03447	1.2
59.01114	0.9
59.01384	14.2
61.98837	10.9
70.33173	0.9
71.01380	1.3
71.56194	1.3
71.56586	1.1
73.02945	1.2
78.95907	32.2
85.02946	1.7
93.03467	1.8
96.00892	1.0
97.06583	0.9
101.02474	0.9
109.49956	0.8
122.00105	1.2
129.42711	0.7
131.04675	1.1
134.98563	1.0
135.04497	1.2
140.01207	12.3
145.68851	0.8
149.92728	0.8
152.99568	3.1
167.14413	41.5
168.14757	1.2
173.04623	4.3
191.05675	2.4
196.03792	11.9
211.13406	51.3
212.13754	3.0
214.04912	3.0
229.14439	100.0
230.14783	5.9
237.03233	1.0
240.85542	0.9
254.05649	1.0
426.18991	85.0
427.19479	7.1
427.24307	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12802	0.9
59.01381	18.4
59.18211	1.0
61.98824	3.2
71.01382	69.3
71.55984	1.4
72.99317	7.8
73.02914	1.4
78.95915	1.0
85.02948	1.4
85.49120	0.9
87.00877	1.3
94.92500	3.2
96.12861	1.0
96.95995	6.0
97.02957	1.5
99.92567	2.4
101.02425	1.2
109.03668	1.2
113.62415	1.0
115.00372	100.0
116.00686	1.3
116.92834	1.2
123.04504	1.3
123.08057	1.3
125.09723	2.3
133.01370	1.8
134.89476	1.2
137.09631	1.5
137.94331	1.0
151.11241	2.7
153.67429	1.0
171.10266	4.0
193.08453	1.5
193.12383	1.1
195.13824	2.1
201.11266	1.5
209.11899	1.3
221.11789	1.5
243.97960	1.0
247.20613	3.2
273.18777	1.0
291.19653	44.7
292.20074	3.8
298.80368	1.1
307.19031	2.2
309.20724	53.5
310.21042	4.2
319.22797	2.0
327.21811	3.9
343.24890	2.4
381.22977	1.1
407.20728	2.2
413.81451	1.1
425.09387	1.3
425.21875	15.9
425.27087	1.4
426.22299	1.3
430.67056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
59.01371	1.7
61.98835	2.0
68.83041	0.5
71.01385	50.9
71.55914	0.7
71.56362	0.5
72.01739	0.7
85.12405	0.5
87.98629	0.6
96.96007	3.0
97.02962	0.7
97.06577	0.6
97.72218	0.5
98.95580	1.0
99.92573	2.1
102.05599	0.8
104.03550	0.6
115.00375	100.0
115.92085	1.5
116.00720	2.3
116.92871	1.7
159.69174	0.5
171.10303	1.3
173.04535	0.9
209.11887	0.6
211.13422	0.9
215.73509	0.5
220.14688	1.3
233.69864	0.5
236.23355	0.5
239.52032	0.5
255.97357	0.5
291.19730	1.6
309.20779	1.8
327.21683	3.2
389.10867	0.9
425.21832	30.2
426.22247	3.0
445.98315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00140	0.7
58.52380	0.6
59.01377	100.0
60.01707	1.3
61.98820	1.5
69.48467	4.8
71.01366	4.6
72.99311	1.5
92.78818	0.6
92.92789	5.8
96.96020	1.4
98.19929	1.2
115.00385	2.1
124.46107	0.7
165.12889	0.7
178.06462	0.8
181.40120	0.6
194.09555	1.0
222.08994	1.3
247.20590	0.7
254.63792	0.6
273.18744	0.7
274.67441	0.6
281.21457	0.8
291.19693	8.6
292.20184	0.7
309.20685	25.3
309.24219	1.4
310.21127	2.5
319.79843	0.7
372.63477	0.7
425.23340	2.6
425.29016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2182
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
52.00042	0.5
53.96224	0.5
59.01370	1.4
61.98846	1.3
69.03452	0.7
69.23196	5.4
71.01379	99.5
72.01697	1.3
75.24303	0.5
79.14864	0.5
83.05042	1.0
85.02948	0.7
87.00871	0.7
93.03472	0.8
96.96010	1.2
97.02951	1.9
97.06577	1.1
98.19858	1.0
101.10517	0.6
115.00368	100.0
116.00732	1.6
116.92814	0.6
125.09702	0.6
137.09715	0.8
154.18529	0.6
158.58461	0.6
163.11394	0.6
163.41087	0.5
165.12788	0.9
171.10283	5.0
173.04494	0.8
181.12207	0.5
183.13882	0.7
185.11862	0.7
193.12332	1.2
209.11819	1.1
211.13397	4.5
221.11824	1.0
221.15439	0.8
223.13156	0.9
229.14384	2.4
237.14944	0.7
247.20667	0.8
291.19617	6.9
292.19724	0.8
309.20673	4.9
327.21722	16.2
328.10947	0.6
328.22089	1.0
342.31345	0.6
425.21771	94.7
426.22089	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	423.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01380	2.0
61.98824	3.0
69.03454	0.5
70.41319	0.4
71.01369	0.8
71.55820	0.4
77.24283	0.5
83.05016	0.7
88.98792	1.7
96.96022	0.6
134.62613	0.4
151.11333	0.5
167.14389	0.9
183.13885	6.8
193.12340	1.9
211.13385	100.0
212.13773	5.5
239.16458	0.5
255.15999	0.7
255.23332	2.7
282.54434	0.5
309.20767	1.2
333.20419	1.1
343.26663	0.8
347.21994	0.6
369.24448	0.5
387.25183	1.0
405.26447	15.7
406.26834	1.5
423.26019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94498	0.4
70.17827	1.6
70.60471	0.4
78.05786	0.4
78.95914	6.3
84.35336	0.4
101.20593	0.4
110.98536	4.6
114.04933	0.4
121.01375	0.4
146.06943	0.5
167.01154	2.9
168.01527	0.6
174.17729	0.4
177.95087	0.4
185.02222	2.8
186.02525	0.7
187.02554	0.8
255.23311	29.0
256.23645	100.0
257.23941	3.8
260.93256	0.4
340.44147	0.4
424.25516	14.5
425.25745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1847
Annotation	FR901483
Peak:m/z	Relative Intensity
51.27116	0.5
59.01366	1.2
66.24090	0.5
71.15923	0.9
78.95912	5.2
79.95733	2.9
93.03448	0.6
96.96012	100.0
96.96910	9.4
167.23048	0.5
171.10248	0.5
173.04538	2.0
178.69331	0.6
196.67682	0.5
219.62041	0.6
259.42395	0.5
263.96393	0.5
265.07584	0.9
267.09122	2.3
295.08667	1.1
309.10263	1.1
322.56003	0.5
327.21674	1.7
389.13766	0.5
425.18784	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60725	0.3
61.98819	0.6
67.01870	0.4
71.55347	0.3
71.55749	0.4
78.95483	0.5
78.95905	6.8
80.96505	0.3
93.73539	0.2
95.38601	0.3
102.71198	0.3
104.97488	0.4
110.97849	0.4
110.98537	5.7
113.02447	0.9
123.31194	0.3
137.00101	0.3
152.99611	0.4
167.01129	4.6
185.02202	3.1
187.02594	0.6
253.21854	0.4
255.23268	100.0
256.23602	8.1
264.60440	0.3
339.19928	0.6
423.25156	13.4
424.25482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07160	0.3
57.01768	0.3
69.35377	2.5
78.95892	4.4
82.00058	0.3
110.98533	3.2
152.99556	0.5
167.01135	1.5
185.02205	3.2
186.02473	0.3
187.02525	0.5
236.67514	0.3
250.71173	0.4
255.23271	100.0
256.23630	7.4
423.25159	9.1
424.25546	1.0
429.60565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81616	0.5
59.01368	1.4
61.98821	1.8
68.99571	2.4
69.03444	0.5
71.03968	1.0
75.00846	0.9
88.98793	1.1
91.13578	0.4
96.96016	0.7
106.81435	0.5
112.98553	2.6
113.40322	0.5
114.17236	0.6
121.58492	0.5
155.10768	0.5
163.11298	0.6
164.11595	0.9
167.10722	0.5
167.14397	0.8
171.10284	0.7
172.31898	0.4
183.13910	7.3
193.12335	1.6
209.11731	0.7
211.13379	100.0
212.13722	6.2
255.23306	3.5
256.23203	0.6
297.10733	0.6
309.20737	1.4
325.25302	0.8
351.17471	1.2
363.12772	0.9
369.24017	0.6
387.25397	1.2
405.26419	15.7
406.26743	1.9
423.16028	3.8
423.24988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96589	0.3
54.73595	0.3
67.25768	0.3
69.46566	0.7
69.46970	1.6
78.95475	0.5
78.95908	5.7
98.20658	0.3
110.98528	4.0
121.79820	0.4
126.57358	0.3
133.48430	0.3
167.01161	2.8
185.02191	3.3
255.23299	100.0
256.23636	7.1
419.01785	0.4
423.25183	10.1
424.25360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95206	0.8
52.18962	0.7
54.06106	0.7
59.01384	2.3
61.98820	1.8
69.04037	0.6
69.64354	2.9
69.64766	1.4
71.01379	57.8
83.05029	1.4
84.02190	0.8
89.28599	0.7
92.85894	0.8
96.96015	2.2
97.02982	0.9
97.06577	0.9
98.20631	1.2
99.00873	1.2
111.04509	0.8
115.00368	100.0
116.00697	1.8
123.04485	1.3
125.09735	2.6
125.17398	0.8
126.60294	0.7
153.09221	1.7
165.12796	0.8
171.10289	4.2
185.11842	1.7
191.05641	0.8
193.08611	1.8
207.10208	2.1
209.11841	3.3
225.11430	0.9
233.23892	0.7
245.18935	1.0
255.23195	1.5
267.12399	0.9
273.22217	0.9
289.18008	3.8
305.17438	1.7
307.19180	6.8
317.21332	2.4
325.20123	3.2
335.21985	1.7
341.23178	1.9
361.19931	0.9
379.21246	1.1
385.40558	1.0
423.20227	27.8
424.20569	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	0.9
61.46611	0.3
61.98828	6.4
71.01386	2.3
71.56038	0.5
73.02959	0.6
75.89897	0.4
81.03471	0.3
83.01412	0.5
85.02962	1.0
88.52522	0.4
89.02453	0.4
93.03461	1.8
96.96012	0.9
97.06652	0.4
101.02464	1.1
111.04541	0.7
113.02473	0.8
119.04995	0.9
155.03455	0.5
158.92111	0.4
161.04643	0.5
163.04037	0.9
173.04590	3.1
173.06111	1.6
179.03563	0.4
181.06573	1.0
191.03946	0.4
191.05658	2.2
199.07593	3.9
201.05540	3.7
201.09258	0.7
217.08792	0.8
241.05827	0.4
321.19147	0.6
363.19824	0.8
405.09412	0.7
405.24155	0.4
423.10953	1.8
423.25586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27981	0.3
59.01379	7.9
61.98832	100.0
68.93342	0.3
71.01384	2.1
71.55231	0.3
72.99306	0.5
75.00862	0.3
84.95107	0.5
85.02965	0.8
87.00854	0.4
88.98807	0.3
89.02459	1.3
93.03475	1.4
96.02323	0.3
96.96026	0.9
98.95594	0.4
101.02426	1.8
111.04516	0.6
113.02469	1.3
117.18816	0.3
119.03503	0.4
119.05012	0.9
135.04562	0.5
139.47733	0.3
140.07262	0.3
146.08247	0.5
161.04610	0.6
163.04105	0.7
163.11371	0.7
173.04549	3.3
174.04893	0.7
179.03610	0.3
187.07695	0.6
191.05600	3.5
191.07146	0.4
201.01738	1.0
201.05576	0.3
205.08615	0.3
214.55684	0.4
223.06128	0.3
227.04263	0.4
231.06645	0.5
243.12337	0.4
247.05490	0.4
249.07715	0.3
267.08945	0.5
282.94958	0.3
291.14462	0.6
335.03693	0.3
363.16226	0.4
363.20245	0.4
363.25470	0.5
387.16708	1.6
423.13745	0.4
423.19125	1.3
436.71533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34370	0.2
57.40732	0.2
59.01380	2.0
61.98827	100.0
62.19580	0.2
65.23923	0.2
71.01381	0.5
71.55434	0.3
85.02981	0.4
97.15976	0.2
101.02472	0.3
111.08203	0.5
119.04987	0.3
127.46938	0.2
154.79576	0.2
161.04494	0.3
165.05463	0.2
166.02699	0.2
173.04642	0.3
173.08186	0.3
191.05667	0.8
228.60689	0.2
312.49219	0.2
363.25598	0.4
423.10117	0.2
423.16055	6.4
424.16733	0.4
431.90344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
61.98833	100.0
62.98562	0.2
66.07544	0.2
67.01897	0.3
71.01392	0.9
71.55534	0.2
71.56001	0.3
78.95898	0.2
81.12691	0.2
83.01398	0.2
85.02983	0.4
86.88240	0.2
89.02470	0.5
93.03473	0.7
99.00886	0.3
101.02447	0.3
106.72618	0.2
111.04566	0.4
113.02477	0.4
114.09690	0.2
119.05041	0.5
143.76518	0.2
155.03491	0.3
163.04063	0.5
173.04552	2.0
191.05626	1.2
231.06650	0.3
291.04541	0.3
307.44214	0.2
329.42657	0.2
363.16464	0.2
387.16599	0.4
423.17615	2.4
423.22305	0.2
424.17972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.0
61.98820	5.7
69.03484	2.9
70.51108	3.9
71.01376	2.2
72.99311	1.5
78.95893	1.6
80.91675	2.8
83.05003	2.0
84.02155	3.2
85.26273	1.1
95.05006	6.9
96.95975	2.1
97.02934	5.5
97.06590	19.4
99.92569	1.9
115.00352	2.0
125.09709	2.8
153.18263	1.2
158.97438	1.1
165.12859	2.2
171.10274	15.7
175.11237	1.4
185.96835	1.2
193.08470	12.6
193.12315	24.0
194.12686	1.6
206.44948	1.3
211.13362	5.9
215.10498	13.0
225.14952	33.2
226.15253	1.2
231.09828	2.1
232.10808	6.8
233.11591	8.6
243.16014	12.8
247.09378	1.8
247.13016	3.9
251.11440	2.8
255.23154	3.5
259.09372	2.3
264.09753	34.7
265.10056	2.6
265.14053	4.3
279.12201	12.1
291.06097	1.5
309.13211	5.9
341.23288	100.0
342.23596	9.4
345.20190	2.6
348.83136	1.2
363.20984	19.1
364.21078	2.8
407.20505	5.2
423.18857	1.0
423.23584	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	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94273	0.7
52.29386	0.6
57.03450	1.0
59.01376	100.0
60.01692	0.9
61.98827	32.1
71.01377	17.1
71.34419	0.5
71.55388	0.8
72.99304	1.0
73.02951	2.7
74.34367	0.5
78.95912	1.2
83.01389	1.3
84.95110	0.6
85.02943	12.6
87.00908	0.8
89.02432	6.5
93.03478	2.3
95.01376	0.7
96.96005	46.3
99.00859	1.2
101.02431	5.7
102.05639	0.9
103.81552	0.6
105.70600	0.6
113.02463	4.2
115.93346	0.7
119.03535	1.8
119.04992	0.9
120.01226	0.8
125.02552	0.7
137.02415	1.1
140.07161	0.7
143.03476	0.7
149.02545	0.7
149.04561	0.7
150.03252	1.0
154.64775	0.6
155.03645	0.6
161.04578	1.8
163.04044	1.0
165.05573	0.8
169.08733	2.1
173.04599	2.3
174.11934	0.6
177.01959	1.8
179.05583	1.1
187.09708	3.3
191.05598	8.4
191.07120	0.9
192.04324	4.1
201.01743	0.9
207.06593	10.7
207.08502	0.7
222.40749	0.6
225.07770	0.7
243.17162	1.1
284.08511	0.7
291.14539	1.8
293.08884	0.7
303.14539	1.1
313.12921	9.8
314.13287	0.8
331.13913	6.2
341.10956	0.8
349.14944	1.6
363.16501	1.2
366.92535	0.7
377.10742	0.6
387.12619	0.8
387.16904	2.0
423.10214	4.9
423.18866	1.8
424.16022	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	423.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.98803	0.6
69.72933	0.9
69.73336	2.4
71.01381	2.4
75.00868	1.0
78.95909	3.9
79.95737	2.9
88.10559	0.5
93.03449	0.5
95.05017	0.5
96.35589	0.5
96.96014	100.0
96.96911	7.4
97.93144	0.6
98.20609	1.2
98.84438	0.6
103.49054	0.5
113.92654	0.7
146.82532	0.5
161.69733	0.5
168.32845	0.5
173.04561	1.3
209.11821	1.6
216.50031	0.5
258.59140	0.5
283.08447	1.1
297.06570	1.4
307.19147	2.0
312.24081	0.6
325.20261	1.9
326.06818	2.6
336.08871	0.8
345.13766	0.7
354.10001	5.1
355.09943	0.6
363.14767	3.4
405.15955	0.9
417.71536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44320	3.7
59.01374	49.9
61.98823	22.6
69.51537	28.5
71.01373	14.8
72.99355	4.1
78.95894	27.2
85.02937	7.6
87.00854	6.0
89.02451	8.0
93.03458	11.3
96.10297	3.8
96.95998	10.9
99.00894	4.0
101.02474	8.2
113.02424	13.1
125.09715	14.1
137.91168	3.8
161.04538	7.0
173.04591	24.2
187.09734	12.7
191.05544	10.4
195.68256	4.3
239.92274	5.0
335.94525	4.1
363.16278	8.0
381.17557	11.2
423.17856	100.0
423.25952	4.9
424.18402	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.4
61.98831	100.0
66.81924	3.9
71.01379	16.7
78.95905	29.5
85.02946	7.8
87.00816	5.4
89.02455	4.6
93.03423	9.4
101.02421	7.7
111.08123	7.2
113.02461	9.7
120.01273	4.0
152.99571	4.6
155.75900	4.4
161.04636	4.8
161.34030	4.6
173.04536	20.1
191.05620	21.6
197.07889	4.2
211.07855	4.2
237.36659	4.4
363.20206	7.0
387.20233	7.2
397.45792	4.7
423.17902	98.5
424.18182	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	423.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.61213	0.6
60.01720	0.7
61.98833	35.3
67.34447	0.6
70.68499	1.2
71.01384	17.3
72.99304	1.1
73.02953	2.3
78.95893	0.8
83.01389	1.4
85.02952	13.0
87.00880	1.3
89.02435	5.3
89.02894	0.6
93.03464	2.7
96.96015	37.3
96.96977	1.4
99.00925	0.7
101.02450	5.4
109.02953	0.8
111.00826	0.8
113.02437	2.8
113.03546	0.6
119.03532	1.9
119.05008	0.9
121.63168	0.6
151.07668	0.8
161.04593	2.5
163.11273	0.7
165.05553	1.0
169.08708	2.5
173.04602	4.0
177.01970	2.2
179.05644	1.0
187.09801	2.4
191.05615	7.0
192.04314	4.4
192.05881	1.0
201.01733	0.8
204.59094	0.6
207.06618	12.4
208.06737	0.7
223.06120	0.8
250.74440	0.7
291.14514	2.2
293.08899	1.4
303.14444	1.0
313.12964	10.1
321.15353	0.8
331.14008	6.4
333.07358	0.6
341.10873	1.3
349.14963	1.4
363.16739	1.9
377.10669	0.9
379.11380	0.7
387.12726	1.1
387.17236	1.0
423.10431	5.0
423.18204	3.0
424.16296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48769	20.3
59.01376	24.0
61.98827	46.5
69.18564	100.0
69.18992	64.3
71.98380	17.0
78.95883	16.6
88.98783	56.7
96.96009	35.1
98.20601	36.2
110.98492	31.7
171.10280	28.2
185.02142	38.9
233.15411	37.9
249.14883	51.5
403.24670	82.7
421.25763	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2597
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03437	0.8
59.01386	3.7
69.03461	1.4
71.01350	0.6
71.05026	0.8
71.55195	1.1
75.34132	0.6
81.03453	1.0
83.05025	6.7
85.06593	2.7
93.03435	0.7
93.45773	0.6
95.05006	0.7
96.17059	0.6
97.06615	3.3
107.08641	0.9
109.06584	2.0
110.98595	0.6
111.08198	3.3
113.09702	0.9
123.08150	1.5
125.09731	6.2
127.11319	0.9
135.08173	0.7
151.11392	1.3
166.91930	0.6
171.10291	18.5
185.11884	1.7
187.14937	2.2
189.16441	1.1
205.16074	3.2
209.11775	2.4
211.13383	4.1
213.15085	0.6
215.14317	1.1
221.15480	1.7
231.13896	2.1
233.15471	24.9
234.15782	2.2
237.14972	1.0
244.56297	0.6
249.14937	9.2
251.16487	1.7
257.17575	2.1
283.19156	0.8
291.16110	0.6
313.25116	0.8
331.26480	1.9
341.24939	2.3
357.24216	1.0
359.26059	1.3
367.22754	1.2
375.25464	1.3
377.27060	1.6
385.23819	4.7
393.26361	1.7
403.24905	44.8
404.25116	5.7
421.25967	100.0
422.26291	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	423.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01379	18.2
61.98827	16.7
69.65350	2.9
71.01377	5.1
73.02945	0.8
75.00880	1.5
78.95911	6.4
79.95717	3.2
80.91647	0.7
85.02958	3.4
87.00893	1.1
89.02443	4.8
92.49194	0.6
93.03455	1.2
95.01350	0.7
96.96010	100.0
96.96922	13.6
99.00893	0.7
101.02433	3.2
113.02441	2.2
116.97253	0.7
119.03526	1.9
119.05025	5.0
121.02959	0.7
128.03531	0.6
135.04550	0.7
144.34360	0.6
145.59557	0.7
149.04666	0.7
151.73926	0.7
154.15848	0.5
161.04521	1.4
163.03987	3.2
165.57895	0.6
173.04485	2.8
179.03540	1.0
179.05562	0.7
185.02159	0.6
191.05614	4.6
193.01857	1.6
193.05074	0.7
200.99626	3.6
201.11296	1.4
207.06689	0.8
217.54073	0.7
218.99730	1.9
223.06143	1.9
225.07561	0.7
233.01398	1.3
235.02835	3.3
247.60049	0.7
261.00775	7.3
261.95773	0.8
291.04443	0.6
291.14481	1.0
293.63577	0.6
303.13663	0.8
321.15228	0.9
363.03897	1.3
363.16614	3.7
423.10687	0.8
423.18741	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37075	0.4
55.69526	0.4
62.22324	0.5
68.33273	0.5
68.74645	0.4
69.48040	3.3
77.14104	0.4
78.95898	23.5
80.09937	0.4
98.20761	0.5
110.98527	32.6
111.78146	0.5
152.99556	2.7
167.01120	2.1
185.02187	100.0
186.02533	1.9
208.74060	0.5
253.21706	34.1
254.22061	2.3
413.89307	0.5
421.23581	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57820	0.4
64.67645	0.4
69.88948	2.3
78.95906	35.0
98.20093	0.8
98.20600	0.5
110.98540	51.8
126.30276	0.4
152.99565	4.3
167.01172	4.4
185.02206	100.0
186.02576	2.0
253.21724	29.2
254.22124	2.3
266.67282	0.4
421.23666	9.2
422.23758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78459	13.0
60.99299	15.8
61.98830	18.3
70.67834	27.4
70.68169	28.4
88.98810	100.0
89.02448	18.2
121.02934	29.4
174.45099	13.2
233.15363	19.0
331.18814	49.8
341.69943	14.1
377.23175	13.8
403.24661	37.3
421.27338	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16236	0.7
73.06920	0.7
78.95901	34.6
80.96515	8.5
96.88899	0.8
96.96022	1.0
98.20681	1.7
110.98531	50.8
152.99562	3.6
154.51245	0.9
167.01135	6.6
185.02193	100.0
186.02583	1.2
198.71957	1.0
253.21724	29.6
254.22052	2.2
298.80713	0.8
421.23425	11.4
421.75897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80662	0.6
60.39725	0.6
61.11764	0.7
69.83353	0.8
69.83768	1.8
75.04520	0.5
76.21977	0.5
78.95907	34.5
102.69437	0.5
104.97463	0.8
110.98536	50.1
126.59008	0.6
143.01247	0.6
152.99570	3.4
167.01149	14.2
185.02205	100.0
186.02554	3.1
224.04150	0.6
253.21730	34.4
254.22073	2.5
421.23624	17.9
422.23795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92732	0.7
61.98815	1.5
70.35905	0.6
75.87434	0.7
78.95898	37.9
78.99925	0.7
80.96508	3.6
96.95967	0.9
98.20272	0.9
110.98525	55.9
152.99622	3.7
160.90828	0.6
167.01128	6.3
185.02185	100.0
186.02536	1.8
253.21698	28.1
254.22072	1.6
421.23499	10.0
422.24323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.4
61.98826	14.0
67.20892	2.6
69.47321	4.0
69.47725	15.8
71.01382	6.2
78.83735	2.7
101.02434	4.1
104.43150	2.5
131.49654	2.7
132.04465	3.0
143.04639	2.8
177.03441	6.1
234.13759	3.0
297.12323	3.2
367.00958	3.2
421.16299	100.0
421.20673	4.1
422.16754	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01691	4.7
61.39930	2.5
61.98832	25.8
69.46777	17.9
70.02985	9.3
71.01387	17.0
71.05016	9.3
73.02939	7.8
85.02960	5.6
87.05608	4.1
89.02426	9.5
96.96018	29.2
98.02479	17.9
99.00906	2.8
99.04524	3.7
101.02448	8.3
113.02477	6.1
119.03497	3.8
130.03317	6.4
146.08244	56.0
147.05997	3.0
156.86348	2.6
173.04547	5.5
215.12819	5.7
217.11960	16.3
223.06180	6.8
223.22034	2.6
225.00487	3.1
241.14233	3.2
252.06348	3.1
267.08664	7.5
277.12271	72.2
278.12357	4.1
360.23898	11.5
361.24149	43.2
377.18192	12.4
421.16174	34.1
421.20847	40.5
422.21387	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28920	0.4
59.01382	100.0
60.01725	1.2
61.98829	1.4
68.04803	0.4
69.41779	3.2
71.01379	5.2
73.02957	1.7
85.02969	1.8
87.46600	0.4
89.02452	3.6
93.03461	0.8
96.57323	0.5
98.20583	0.8
99.00893	0.9
101.02441	4.2
104.95632	0.4
109.02937	0.6
113.02474	2.7
119.03516	1.7
121.02997	1.0
125.02458	0.5
161.04532	2.5
165.01912	0.4
173.04611	1.5
179.05722	0.6
181.05121	0.5
185.11852	1.1
185.57104	0.4
191.05672	1.2
210.49272	0.5
240.47243	0.4
243.51033	0.5
289.16635	0.5
301.16595	4.0
305.03226	0.4
319.17624	13.1
319.21304	0.7
361.18683	12.7
362.19180	1.0
379.23526	0.5
416.42889	0.5
421.23761	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	421.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80954	0.3
57.03448	0.4
57.05998	0.4
59.01366	1.7
60.60726	0.4
66.14775	0.4
70.81333	0.8
70.81706	0.7
71.01389	2.4
73.02929	0.6
81.03454	0.4
83.05025	0.4
85.02457	0.6
85.02955	9.1
87.00849	2.3
93.03458	2.7
104.00299	0.5
109.02924	0.6
111.00854	0.5
111.04497	1.3
115.00352	0.3
127.04008	2.5
129.01993	0.6
152.95970	2.2
161.77362	0.5
167.12724	0.4
171.02943	0.7
173.04530	1.1
191.05608	100.0
192.05956	3.1
287.80884	0.4
329.02780	0.6
344.88321	1.4
346.88181	0.5
421.07547	10.5
422.07700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	1.6
61.98825	6.8
66.03487	2.4
68.01392	1.0
69.74593	2.7
69.75009	2.8
69.96284	0.9
70.02965	4.4
71.01373	3.4
73.02947	3.9
93.03462	1.0
96.04572	1.1
98.02470	30.6
100.04062	3.5
101.02464	1.5
108.19900	0.9
121.08195	0.9
126.65213	0.9
130.05104	2.8
146.09259	0.9
209.57527	0.9
218.44046	1.0
223.39508	1.0
227.16489	3.9
360.23883	85.1
361.24240	7.6
405.97705	1.0
421.15970	6.0
421.20880	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	420.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
60.01714	0.5
61.98829	100.0
63.25443	0.4
65.00888	0.5
66.60133	0.5
71.01389	1.2
71.56412	0.8
78.95906	8.2
82.63727	0.5
83.21419	0.5
85.02943	0.7
87.00883	0.6
89.34076	0.5
93.03484	1.1
96.96959	1.1
101.02461	1.0
101.06113	0.6
108.02130	0.6
109.06591	0.6
113.02447	0.8
123.08159	0.9
135.04523	0.5
152.99637	1.3
167.07133	5.2
171.00652	1.9
171.10295	1.8
173.04539	2.4
191.05679	2.1
201.11322	5.0
203.10735	0.8
204.98494	0.5
229.10783	1.2
247.09830	2.0
249.10866	0.6
249.33676	0.6
267.79749	0.5
321.17194	4.3
339.18283	1.7
357.19211	4.5
376.18860	1.1
402.02060	0.6
420.17776	3.8
420.22989	0.6
421.24405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07007	0.9
57.23944	0.9
59.01382	100.0
61.98815	2.5
66.03479	1.9
69.17406	3.7
69.17825	5.6
70.02979	4.6
71.01375	6.3
73.02945	2.8
77.83658	1.0
89.02428	1.5
90.34698	0.9
96.04542	1.3
98.02479	32.6
100.04058	3.4
130.05107	2.2
163.95276	0.9
227.16463	4.0
360.23917	75.6
361.24121	6.1
377.18268	3.2
421.20840	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	420.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
61.98828	100.0
67.01893	0.5
71.01379	0.9
71.55755	0.4
85.02956	0.3
93.03471	2.2
114.05578	0.6
119.05042	0.6
125.09721	0.4
129.29820	0.4
134.03751	0.4
137.02448	0.8
138.06627	0.4
145.02919	0.9
155.03491	0.5
167.07292	0.4
171.10254	0.4
173.04546	5.9
177.50615	0.4
191.05634	0.9
201.11320	4.4
227.20747	0.3
229.10785	6.0
230.11316	0.4
231.11365	0.6
263.33951	0.3
303.15961	0.7
317.26096	0.4
318.14038	0.4
321.17084	1.7
339.18082	1.9
365.11365	0.4
386.20425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	0.8
60.51544	0.3
61.98826	3.1
62.39985	0.3
66.13928	0.3
68.80114	0.3
68.82424	0.3
70.46091	1.3
71.01389	0.4
88.98769	0.4
92.68736	0.3
96.96008	0.5
101.02498	0.5
173.04616	0.5
434.00620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48301	0.4
52.07149	0.4
56.18143	0.4
57.99002	0.4
59.01377	63.3
60.01712	0.6
61.98821	0.6
69.76283	1.8
71.05013	0.4
87.04509	100.0
88.04823	1.8
98.20686	0.4
115.06328	0.4
120.88754	0.4
145.12268	0.5
173.04533	0.6
237.06833	0.4
251.66789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85382	0.2
52.72984	0.2
53.48601	0.2
59.01377	17.4
61.98830	1.5
71.01360	0.3
71.25929	0.4
78.01775	0.2
81.65679	0.2
87.04511	100.0
88.04839	1.9
96.95971	0.3
104.70817	0.2
110.09061	0.2
115.61404	0.2
135.04549	0.3
145.12321	0.3
159.02939	0.2
175.96394	0.2
179.03473	0.3
191.05585	0.4
196.29031	0.2
214.52347	0.2
251.16576	0.7
318.11234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2437
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
59.01377	4.8
65.03965	5.0
69.46658	0.7
69.90939	3.0
83.05010	2.2
86.34432	0.8
91.05544	3.6
95.05018	1.3
97.06558	2.8
105.07108	1.4
109.06605	1.0
119.08578	0.8
123.08131	2.2
125.09722	15.8
126.09969	0.8
131.08655	0.8
133.10214	2.2
135.08081	1.2
140.68916	0.8
153.09122	0.9
159.08089	1.3
185.09755	1.0
185.11761	2.3
187.14934	16.9
188.15266	1.6
209.11771	2.2
211.13333	0.9
213.12764	3.1
229.12306	0.8
231.13889	33.4
232.14243	2.3
235.13319	1.1
247.13338	1.0
249.14981	10.5
250.12033	1.4
250.15233	0.7
339.23495	1.6
355.22803	1.0
357.24335	1.8
361.46323	0.9
383.22220	5.0
391.24896	0.9
392.54581	1.0
401.23294	100.0
402.23691	12.1
419.24380	32.7
420.24792	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58714	9.1
59.01385	100.0
61.98838	58.8
69.59896	63.2
72.91409	9.2
81.14331	8.9
96.95995	17.0
98.20634	12.6
109.06600	15.4
115.91990	12.4
173.04610	23.4
196.43202	12.6
251.16754	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73024	18.1
69.79951	100.0
82.08091	18.2
88.98798	47.4
131.23997	19.4
165.63805	19.1
223.17525	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.9
65.03955	5.8
69.48405	10.3
70.41230	1.4
89.02425	1.7
90.63623	1.4
91.05546	3.2
97.06585	2.7
98.99914	1.4
123.08161	1.6
125.09717	14.8
133.10199	2.3
159.11771	1.8
187.14896	17.5
194.61218	1.6
209.11760	3.4
213.12766	3.9
218.65897	1.8
219.10068	1.8
231.13864	26.6
232.14124	1.6
249.14957	8.8
373.23892	2.0
383.22311	4.0
401.23264	100.0
402.23584	15.3
419.24292	31.7
420.24603	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	419.2284
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
50.34042	0.9
55.01851	0.9
58.00578	1.9
59.01378	80.9
60.31870	1.2
61.98817	2.4
64.25354	0.9
71.01382	25.9
71.56224	1.5
72.99303	3.5
73.02930	2.0
83.01375	2.4
84.62292	1.1
85.02954	7.6
87.00879	2.0
89.02444	26.0
93.03444	2.1
95.01366	2.9
99.00869	2.0
101.02437	18.8
112.98814	2.0
113.02453	12.9
119.03481	10.8
126.49001	1.0
141.12863	2.4
142.99837	2.5
143.03546	1.4
161.04538	2.6
163.14992	2.7
163.24478	1.1
173.00909	2.2
173.04462	2.4
177.03404	2.1
178.33858	1.0
179.05624	3.0
181.05081	2.4
182.05354	1.4
183.05510	1.1
191.05612	2.0
195.17517	2.7
209.08231	1.2
209.11813	1.9
227.12895	1.4
239.16508	25.7
240.17017	1.9
245.08119	1.1
257.17374	1.2
419.22830	100.0
420.23203	10.0
441.87241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87875	15.5
57.71006	14.2
57.80085	13.0
59.01364	53.6
61.98824	45.9
70.06877	71.2
78.95934	13.9
81.22482	16.3
85.27324	13.3
87.00858	100.0
88.00399	19.3
98.20665	17.9
103.17461	14.2
118.60018	13.3
133.97008	15.0
134.03668	17.5
139.99263	15.8
188.97296	14.5
211.13364	19.0
271.04150	17.7
285.05783	51.7
383.13025	41.8
401.23438	97.7
419.24380	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10121	29.9
57.21373	33.2
59.01366	63.0
61.98817	76.7
70.92843	32.8
70.93183	67.1
84.37111	28.8
85.94186	28.6
87.00870	45.0
140.43713	37.8
173.04503	47.0
185.15685	35.6
401.23181	100.0
419.24100	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62453	0.4
55.99368	0.4
59.01375	100.0
60.01695	1.1
69.91399	1.5
70.21149	0.4
71.01379	2.7
72.22732	0.4
73.02949	1.5
80.43971	0.4
83.01383	0.6
85.02916	0.8
87.00886	1.3
88.79987	0.4
89.02471	1.2
93.03458	2.7
95.05132	0.4
96.96026	0.7
97.06582	0.4
101.02429	3.1
111.04540	0.6
112.40913	0.4
113.02466	1.4
119.03523	0.6
127.04045	0.4
141.09195	0.4
143.03476	0.6
149.04555	0.5
155.03444	0.6
161.04594	0.6
173.04533	6.5
191.05589	4.5
201.11342	1.9
209.11870	0.9
227.13008	0.5
243.12276	0.4
245.13962	1.6
245.45253	0.5
359.17184	0.8
360.24026	0.5
385.65280	0.4
419.18646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	4.0
59.01375	100.0
61.98822	6.0
69.96543	9.1
70.93451	1.9
71.01379	59.6
71.13000	1.8
72.99310	5.5
73.02937	2.2
76.43644	2.1
81.71892	1.9
83.01388	2.9
85.02943	10.5
87.00870	5.2
88.98782	5.7
89.02442	88.6
95.01371	2.6
96.95995	8.2
101.02438	34.5
111.04562	2.0
113.02446	27.9
116.91593	1.8
119.03495	37.7
119.04972	12.4
120.71114	2.1
124.01648	8.1
125.02428	5.1
128.03557	3.7
131.03455	3.5
131.56145	2.0
143.03487	6.0
143.04582	4.1
149.02422	4.2
149.04564	4.4
155.77431	2.1
161.04526	8.9
163.04033	10.1
164.04774	32.4
173.04497	3.1
179.05574	19.0
179.07120	45.2
185.02139	6.6
197.08189	2.4
273.04675	6.3
280.61072	1.9
281.03448	1.9
306.07541	6.8
359.07455	17.8
359.13406	9.7
419.11993	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	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62845	0.4
55.81059	0.3
57.03451	0.5
58.29181	0.3
59.01379	100.0
60.01711	1.0
71.01389	2.7
71.55972	0.4
73.02957	1.9
73.36401	0.4
82.95441	0.4
83.01401	1.0
83.66557	0.3
85.02963	1.1
87.00864	0.8
89.02462	1.4
92.77717	0.4
93.03461	2.5
96.96021	0.5
101.02445	2.4
109.02947	0.4
111.04536	0.5
113.02455	1.6
119.03522	0.6
137.02478	0.4
155.03540	0.8
161.04518	0.6
173.04543	6.0
191.05637	3.7
201.11389	1.2
209.11929	0.7
227.12979	0.6
239.21208	0.4
245.14003	1.7
318.58786	0.4
359.17053	0.5
385.92279	0.4
419.18845	2.7
422.75378	0.4
435.83536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79847	0.4
54.88832	0.4
56.25346	0.4
56.55872	0.4
57.01443	0.4
59.01377	100.0
60.01716	1.0
71.18811	0.5
71.19149	0.7
71.66242	0.4
71.78085	0.5
83.61198	0.4
98.20287	0.6
99.33297	0.4
108.98645	0.5
160.86992	0.4
175.44330	0.6
210.03683	0.5
303.29178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74103	0.4
57.03437	0.6
59.01377	44.6
60.01717	1.6
61.98826	100.0
64.02419	0.4
67.01878	0.5
69.53240	2.2
69.53650	0.7
71.01378	6.9
72.99294	0.5
73.02943	1.6
76.03146	0.4
78.13676	0.4
83.01384	1.1
85.02956	2.5
87.00880	1.9
89.02446	1.9
93.03452	2.1
93.35880	0.4
94.03806	0.8
97.06567	0.6
99.00898	0.8
101.02436	3.2
102.02790	0.5
111.04482	1.0
113.02448	2.0
114.05550	0.4
137.02448	0.5
139.11275	0.6
155.03510	1.1
156.05969	0.4
161.04582	3.5
162.04912	1.0
165.12854	1.0
173.04549	6.9
174.04897	2.0
183.10176	0.5
184.10593	0.9
191.05638	4.1
199.13454	0.8
209.11841	1.7
227.12859	2.2
241.10713	0.7
243.12387	2.5
244.12677	3.2
245.13963	4.4
269.10303	3.4
311.11316	0.8
358.15994	1.5
358.22363	0.8
382.67813	0.5
418.18021	5.3
418.24542	1.4
419.19034	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	418.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51824	0.3
57.03435	0.5
59.01377	100.0
60.01715	1.0
61.98827	2.3
66.03490	0.4
71.01370	1.9
73.02953	1.3
75.00883	1.3
83.04999	0.4
85.02956	0.7
87.00874	2.1
93.03465	1.3
96.04547	0.7
96.96014	0.7
97.06622	0.6
98.02480	2.0
100.04115	0.3
100.46628	0.3
101.02455	1.0
111.04538	0.5
113.02457	0.6
114.05598	0.4
129.01965	0.5
135.04533	0.4
155.03508	0.5
161.04610	0.3
173.04562	2.7
174.04915	0.6
181.05066	0.3
191.05592	2.1
209.11789	1.5
227.12991	0.9
230.24452	0.3
236.05798	0.3
242.05408	0.4
244.12770	0.7
245.13982	1.2
274.18414	0.3
358.22333	8.1
358.26477	0.5
359.22842	1.0
382.18021	0.5
411.58759	0.3
418.18109	1.2
418.24628	3.0
419.14639	0.5
419.19299	1.5
419.24203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50546	1.3
58.29117	1.3
59.01104	1.7
59.01378	17.2
59.61930	1.3
59.75238	2.0
61.98820	8.3
62.70742	1.4
71.01374	7.8
71.55357	2.0
72.99295	1.4
73.02951	1.7
76.92454	1.6
85.02944	3.0
89.02442	6.5
93.03466	6.2
96.96023	7.6
101.02448	4.9
102.53387	1.4
108.77935	1.4
111.04523	3.5
112.98778	2.2
113.02460	2.2
117.03459	2.9
119.03588	3.0
119.05022	61.2
120.05395	2.4
121.02945	2.6
123.04627	1.5
136.98512	2.2
137.02412	2.6
145.02951	11.8
155.03459	2.7
161.04520	1.9
163.04008	57.2
164.04486	2.3
168.99849	1.6
173.04549	15.3
179.05640	2.0
179.07045	3.2
185.02180	35.4
191.05623	4.0
195.01451	2.4
209.08134	1.8
225.35747	1.3
273.04749	8.4
337.09366	7.3
359.07446	100.0
360.07877	10.1
419.08209	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	39.7
69.49624	100.0
71.84557	13.3
160.31390	12.8
201.84921	15.1
221.43857	17.2
285.54745	14.2
293.76465	13.7
432.64288	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56073	11.1
58.62131	10.0
59.01381	100.0
61.98830	22.5
68.47961	11.2
83.97422	11.8
107.91142	11.3
128.47871	11.4
222.02199	13.3
230.95946	11.8
246.86380	12.2
253.14510	16.7
335.14639	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	91.4
61.98827	100.0
65.74107	9.1
70.46230	10.0
70.46584	22.2
173.04552	8.2
177.76797	8.1
179.03606	9.7
187.92104	7.7
206.63008	8.2
213.82028	8.2
341.22986	11.3
343.24454	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	91.4
61.98827	100.0
65.74107	9.1
70.46230	10.0
70.46584	22.2
173.04552	8.2
177.76797	8.1
179.03606	9.7
187.92104	7.7
206.63008	8.2
213.82028	8.2
341.22986	11.3
343.24454	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	417.2129
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01853	1.4
57.03435	1.5
58.00576	1.2
59.01379	51.1
61.98812	2.6
63.56285	0.7
71.01384	22.3
72.99299	2.5
73.02940	6.5
75.00857	1.4
78.95905	3.1
83.01368	3.2
83.05016	0.9
85.02950	9.0
87.00866	2.1
89.01931	1.0
89.02445	14.6
89.03000	0.8
90.02747	0.7
93.03449	3.6
95.01379	2.3
96.00893	1.0
96.95996	2.1
97.06580	1.6
99.00872	1.7
101.02444	14.9
102.02754	0.6
105.23151	0.6
109.02970	1.0
111.00854	0.8
111.04502	1.2
113.02448	9.5
114.02747	0.6
119.03471	4.5
122.90186	0.6
131.03510	0.7
135.04449	1.1
137.02495	1.3
149.04642	0.8
149.13327	0.8
155.03543	1.0
161.04506	1.0
171.00658	1.3
171.10258	0.9
173.04539	8.8
174.04915	0.7
177.01875	0.6
179.03477	0.6
191.05605	6.0
209.11882	0.6
211.13329	1.5
213.03775	0.6
229.14404	0.9
237.14922	2.6
255.15985	1.5
343.21298	1.7
357.19586	0.6
417.21249	100.0
418.21515	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05103	2.0
57.03448	3.2
59.01377	86.5
59.84157	2.0
61.98820	4.2
68.99807	2.5
70.30609	8.0
71.01386	10.7
72.99295	7.2
75.00861	4.2
75.50858	2.1
79.87608	2.1
83.01392	5.0
83.05024	2.9
87.00858	3.8
87.89828	2.4
89.02443	3.2
90.72123	2.1
96.95815	2.0
99.00866	15.8
101.02415	3.6
111.00892	3.9
112.98810	20.3
115.00354	4.6
119.05006	2.6
131.23317	2.2
140.01183	2.6
142.99849	37.4
156.00639	4.8
161.94124	2.3
173.00891	28.9
173.04503	4.2
174.00241	4.5
174.01686	70.5
175.02376	6.4
178.40819	2.3
183.28061	3.0
193.12321	3.0
195.13855	2.5
205.12234	3.3
211.13393	28.2
221.11771	2.9
223.13278	8.3
263.12775	4.0
267.12375	10.2
279.12369	5.5
305.13901	3.4
307.11758	23.6
311.79001	2.5
325.12854	5.3
349.12729	8.4
367.13934	100.0
368.14053	7.4
385.15091	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	417.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98814	48.8
71.10813	31.4
101.88705	13.0
137.92018	13.7
177.16977	13.7
187.51573	13.0
217.65536	14.1
371.48303	14.3
394.09827	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	417.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98814	48.8
71.10813	31.4
101.88705	13.0
137.92018	13.7
177.16977	13.7
187.51573	13.0
217.65536	14.1
371.48303	14.3
394.09827	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05103	2.0
57.03448	3.2
59.01377	86.5
59.84157	2.0
61.98820	4.2
68.99807	2.5
70.30609	8.0
71.01386	10.7
72.99295	7.2
75.00861	4.2
75.50858	2.1
79.87608	2.1
83.01392	5.0
83.05024	2.9
87.00858	3.8
87.89828	2.4
89.02443	3.2
90.72123	2.1
96.95815	2.0
99.00866	15.8
101.02415	3.6
111.00892	3.9
112.98810	20.3
115.00354	4.6
119.05006	2.6
131.23317	2.2
140.01183	2.6
142.99849	37.4
156.00639	4.8
161.94124	2.3
173.00891	28.9
173.04503	4.2
174.00241	4.5
174.01686	70.5
175.02376	6.4
178.40819	2.3
183.28061	3.0
193.12321	3.0
195.13855	2.5
205.12234	3.3
211.13393	28.2
221.11771	2.9
223.13278	8.3
263.12775	4.0
267.12375	10.2
279.12369	5.5
305.13901	3.4
307.11758	23.6
311.79001	2.5
325.12854	5.3
349.12729	8.4
367.13934	100.0
368.14053	7.4
385.15091	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.0
58.00575	1.6
59.01375	53.6
61.98820	7.7
69.03443	2.0
71.01373	17.0
71.56331	2.2
72.99308	2.3
73.02937	4.9
75.00865	4.1
81.03442	1.7
83.01378	3.5
83.05048	2.3
85.02940	12.3
87.00873	100.0
87.04478	1.5
88.01198	2.0
89.02444	6.2
93.03458	3.7
95.01347	2.4
96.96011	1.4
99.00864	4.1
101.02427	10.4
102.05696	1.7
108.02158	3.3
111.00866	2.1
113.02420	5.7
119.03501	2.7
121.02958	1.8
122.79550	1.4
123.00895	1.5
123.95925	1.5
129.01949	12.7
134.03824	2.1
135.04515	1.9
144.96794	1.6
147.03001	5.7
149.02475	1.4
152.01169	2.1
161.04541	4.4
165.12807	3.5
173.04512	8.0
177.12842	2.2
179.14473	2.2
191.05560	2.1
191.14218	1.7
193.12286	3.0
195.08151	3.5
195.13857	4.7
210.55911	1.6
213.09116	1.8
219.13814	2.1
221.11774	2.7
222.16446	1.4
223.13335	7.3
225.14941	3.8
232.04807	2.8
232.55203	2.3
235.13326	5.5
237.14687	2.1
251.12886	2.2
253.14447	1.9
255.15997	9.0
263.12582	2.0
265.07568	9.3
267.16049	2.9
269.10330	2.2
277.14465	4.3
283.15485	30.0
284.15674	3.6
295.15488	21.9
313.16370	3.0
325.09552	9.3
336.18738	1.5
355.17551	6.1
417.20648	2.9
417.25156	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	417.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
68.52966	1.9
70.02876	2.2
71.01374	8.8
71.56316	3.7
73.02965	4.5
85.99767	1.8
86.74744	1.8
86.79182	2.2
87.00875	2.5
89.02440	6.2
93.03470	10.4
101.02433	6.7
110.14174	2.2
113.02422	4.4
113.15833	2.0
119.03481	2.3
140.02454	2.0
148.80232	1.9
173.04575	15.3
187.23654	2.2
191.05585	4.2
243.12312	5.0
331.17380	3.9
373.18579	2.7
417.17496	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18129	1.5
56.52767	1.3
57.03443	2.2
58.00608	2.3
59.01379	93.1
61.98830	100.0
62.98530	3.3
63.99232	1.8
70.35670	1.3
71.01379	25.4
71.55365	1.3
73.02950	5.3
83.05020	2.9
85.02950	16.3
87.00875	2.6
89.02445	20.5
93.03451	18.0
101.02450	18.5
111.04494	8.9
113.02459	10.5
119.03470	10.1
135.04483	2.3
137.02423	3.2
143.03513	3.0
143.07193	3.0
155.03485	8.2
156.03728	1.4
157.08696	35.2
161.04562	17.0
163.11307	1.9
165.92754	1.3
168.61844	1.4
173.04549	48.1
174.04886	2.8
177.09169	1.6
179.05670	7.1
181.12323	54.0
182.12622	3.3
191.05643	18.6
195.10301	2.0
199.13388	86.3
200.13742	4.1
209.11914	1.9
213.11270	2.5
225.11372	4.1
243.12363	62.7
244.12567	2.7
253.33247	1.6
357.15491	26.7
358.15857	3.2
399.16562	2.2
417.17691	73.3
418.17957	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03442	1.6
58.48934	0.7
59.01381	58.4
61.98831	14.6
67.01876	4.6
69.03441	0.8
71.01385	11.6
72.99316	1.0
73.02943	9.6
75.00860	1.1
81.03461	1.8
83.01391	2.0
83.05032	2.1
85.02946	7.1
87.00889	1.3
89.02447	3.0
93.03460	31.0
94.03790	0.8
96.96021	1.0
97.06583	0.9
99.00874	1.7
101.02450	8.4
109.02969	1.0
111.00896	1.7
111.04508	5.3
113.02462	3.8
119.03493	1.2
119.79555	0.8
121.02957	38.2
122.03241	0.9
125.02493	0.7
125.09746	0.8
137.02446	5.6
155.03506	5.8
157.08685	7.9
161.04512	1.2
171.10216	0.8
173.04547	100.0
174.04883	3.3
177.09172	1.4
179.03403	0.7
181.05086	0.8
181.12337	11.8
191.05602	7.9
192.05968	0.9
195.46152	0.7
199.13387	17.8
200.13678	1.1
207.10318	0.7
210.71768	0.8
217.04269	0.8
225.11203	2.7
232.90732	0.7
235.49474	0.7
240.81522	0.8
243.12367	24.9
244.12813	1.1
331.17853	1.1
336.34833	0.7
355.38367	0.7
357.15533	3.9
358.15854	0.8
358.22321	1.5
375.16449	1.3
381.17587	1.0
399.16620	4.2
408.15201	0.8
417.17633	54.6
418.18011	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01382	10.0
60.99303	0.5
67.01891	4.9
69.03472	0.8
69.81648	0.3
71.01382	3.8
71.09518	0.4
71.09864	0.7
72.01760	0.3
73.02941	0.8
81.03459	1.1
83.05039	1.1
85.02962	0.7
87.00880	0.6
93.03461	27.7
94.03809	0.8
99.00893	0.4
101.02446	0.4
108.08071	0.4
109.02952	1.7
111.00879	1.2
111.04523	5.8
113.02489	0.9
121.02930	0.6
124.72205	0.4
125.09727	0.4
127.03989	0.6
133.02979	3.2
135.04517	1.3
137.02446	5.5
137.09743	0.4
139.11296	6.0
149.02321	0.4
155.03493	5.3
163.04022	0.7
166.94095	0.3
173.04546	100.0
174.04929	3.9
175.03989	1.1
179.03497	0.5
181.12323	3.6
183.10266	7.9
184.10637	0.4
185.83908	0.4
191.03760	0.6
191.05579	1.7
195.21321	0.3
199.13405	3.0
201.01947	0.4
209.56969	0.3
221.89542	0.4
225.11349	2.5
243.12364	27.3
244.12642	2.2
284.03323	2.0
285.03857	0.7
297.03986	2.6
298.04816	2.0
299.05630	4.5
311.05624	0.4
327.05090	19.5
328.05356	1.7
339.04883	0.6
355.51358	0.4
357.06198	3.8
358.06110	0.4
359.45917	0.3
379.04269	0.3
379.57825	0.4
386.54053	0.4
417.08832	5.6
417.17615	29.4
418.08649	0.8
418.18076	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	416.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
61.98833	100.0
62.98533	0.3
65.45615	0.2
66.27804	0.2
69.34682	0.3
69.35100	1.3
71.01382	1.6
72.99338	0.2
73.02951	0.3
75.59335	0.2
80.29517	0.2
81.03484	0.3
85.02965	0.9
87.00887	0.3
89.02454	1.2
93.03465	1.5
95.01426	0.2
96.16433	0.2
96.94474	0.2
98.19968	0.5
101.02464	0.8
109.02959	0.2
111.04549	0.6
113.02502	0.4
114.05611	0.2
119.03530	0.4
135.04555	0.3
137.02509	0.2
155.03506	0.6
157.08725	0.7
161.04587	0.7
173.04565	3.2
174.04881	0.2
177.09186	0.2
179.05724	0.3
181.05254	0.2
181.12360	1.3
191.05609	2.5
192.05989	0.3
199.13414	2.4
242.11290	0.3
243.12363	1.8
259.34534	0.2
313.13232	0.2
357.15607	1.1
377.10437	0.4
416.15738	0.2
417.17737	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	416.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00743	0.6
57.00913	0.6
59.01380	100.0
60.01710	1.1
61.85197	0.7
61.98829	46.2
71.01375	3.2
71.54922	0.6
75.00879	2.0
82.01174	0.6
85.02967	2.1
87.00891	1.3
89.02463	1.2
94.03038	0.8
96.96037	3.2
98.95619	0.9
101.02455	1.5
101.06095	2.0
112.04057	1.8
113.02510	0.6
117.59267	0.6
119.05009	0.7
122.00480	0.7
146.08324	1.6
154.67842	0.6
167.10698	0.7
173.04657	1.0
191.05695	1.9
195.06387	0.8
236.65671	0.7
265.96143	0.6
290.18008	0.9
302.17676	0.9
306.17096	1.1
326.96780	0.6
356.16165	1.2
356.20770	21.5
357.21280	2.2
380.15735	2.1
416.22186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54939	1.1
59.01371	3.9
65.35636	1.1
65.84428	1.3
71.56006	1.3
74.99114	6.4
77.00668	74.4
84.17746	1.2
87.68117	1.0
89.71630	1.2
90.27000	1.1
93.67329	1.1
100.37960	1.1
147.08191	1.3
152.85756	1.3
163.11346	1.8
187.11292	2.2
195.01817	1.3
205.17404	1.3
220.67760	1.1
309.22278	1.9
337.21735	100.0
338.22092	11.8
350.85898	1.2
415.23145	19.6
416.23480	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	415.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01398	0.4
59.01376	4.3
61.98821	0.5
65.03952	3.1
70.52547	1.5
79.05513	2.6
83.05073	0.4
91.05530	1.8
97.06593	1.3
97.49172	0.4
97.63377	0.5
101.02447	0.6
103.05536	0.5
105.07104	3.1
117.07078	0.5
118.52532	0.4
120.91135	0.4
125.09714	5.6
129.07066	0.5
129.72327	0.4
133.10207	1.5
135.08151	0.6
145.10254	0.5
153.09230	1.0
157.10054	0.6
159.11780	1.2
161.32927	0.5
171.08136	0.5
171.10213	0.5
173.13283	0.5
187.14906	10.3
195.18208	0.4
199.11272	0.5
201.12852	0.7
201.16475	2.4
213.12801	2.1
223.18613	0.4
231.13893	22.5
232.14191	1.3
245.15553	3.6
249.14990	1.6
275.16495	1.2
286.15848	0.6
288.17276	2.0
299.16522	0.9
313.18054	0.8
314.18903	1.6
339.23160	0.9
365.21259	0.6
371.25958	1.2
383.22330	2.0
415.24884	100.0
416.25195	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	415.2852
Annotation	24beta-Methoxyscalarolide
Peak:m/z	Relative Intensity
51.90422	0.3
52.37072	0.3
57.03443	0.5
59.01369	1.3
65.87381	0.3
69.27510	2.6
71.01402	0.8
71.05012	0.9
78.95905	0.8
80.02670	0.3
83.04996	0.8
85.06586	0.4
89.02460	0.3
96.96008	0.9
97.06576	1.2
97.21112	0.3
97.85426	0.3
98.19831	0.7
107.92723	0.3
137.09715	1.0
157.72891	0.3
198.44713	0.3
242.45387	0.4
287.23697	0.4
313.25140	0.5
337.25064	0.4
339.23602	0.7
341.24948	0.6
343.26379	0.8
353.24756	0.5
353.28467	1.9
355.26367	4.8
356.26590	0.8
369.28085	2.6
371.29495	24.5
372.29819	3.3
385.27328	1.3
397.27454	2.0
398.27954	0.5
415.28494	100.0
416.28909	12.6
416.33105	0.3
416.34561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03426	1.2
58.00591	2.2
59.01377	100.0
60.01704	2.0
63.16877	0.6
67.01883	0.8
71.01377	40.3
71.56319	1.0
72.99316	2.1
73.02946	4.4
83.01400	1.9
85.02952	9.4
87.00885	2.9
87.04510	0.9
89.02441	44.6
91.71682	0.7
93.03465	2.4
95.01399	2.3
96.96008	1.4
97.06578	0.7
99.00878	0.9
101.02432	19.4
101.06091	0.8
111.04535	1.0
113.02444	16.9
115.92133	1.1
119.03490	18.8
125.02438	1.4
131.03516	2.5
135.04573	0.9
143.03532	2.5
144.30922	0.6
147.11780	4.0
160.82063	0.7
161.04562	4.2
173.04539	6.7
173.13336	6.7
179.04021	1.1
179.05563	8.4
179.06944	0.7
191.05637	5.3
271.19348	0.9
289.29568	0.7
415.15210	0.8
415.19861	2.7
415.24402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.2
61.98829	6.2
69.12376	1.2
69.18088	7.8
69.18509	3.9
71.01373	5.4
73.02956	1.8
78.95907	2.6
83.01376	1.3
85.02948	2.0
87.00857	1.2
88.04079	1.4
89.02432	2.9
93.03435	4.6
96.96958	8.8
97.02950	2.6
98.02525	1.7
104.15588	1.4
111.04523	1.5
113.02417	1.4
115.00387	1.2
121.02946	4.6
125.02467	2.1
130.08757	6.1
135.04524	1.5
146.36617	1.3
151.03986	6.0
153.05562	5.1
154.95950	1.2
173.04526	10.7
181.05063	83.6
182.05330	4.3
191.05617	7.6
196.07385	68.4
197.07727	3.9
197.11864	2.2
211.09741	100.0
212.10023	5.1
241.10820	5.5
380.18250	5.4
397.20786	2.2
415.15909	5.5
415.21957	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	415.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.8
59.01371	64.6
61.98827	93.3
71.01383	30.0
71.55740	7.2
72.61297	4.8
73.02939	7.2
74.32111	4.9
74.69937	4.5
83.01415	7.1
85.02954	16.4
87.00877	10.7
88.04038	4.9
89.02456	15.6
90.34874	4.8
93.03448	26.2
101.02455	20.4
111.04543	6.5
111.36163	5.3
113.02454	7.4
115.04022	9.4
125.02454	5.4
135.04498	10.4
137.02386	5.4
139.21362	4.6
146.03748	47.3
161.06058	10.5
164.04770	32.4
173.04546	51.1
179.05710	6.0
179.07129	100.0
179.10750	13.7
181.05066	49.9
191.05609	95.3
196.07350	33.7
197.11819	10.4
211.09740	46.2
241.10770	19.5
342.96976	5.8
377.10281	17.6
379.15918	10.1
395.11261	7.5
405.94867	7.0
415.14471	34.7
415.21420	8.4
416.13843	5.3
425.88068	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	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03440	2.0
57.57405	0.7
58.00588	2.6
59.01379	84.3
60.01690	1.0
69.03449	2.4
69.59052	3.8
71.01379	63.5
72.01681	1.0
72.99303	8.2
73.02949	7.3
75.00872	2.1
80.31038	0.7
81.03445	2.8
83.01389	5.8
85.02948	12.9
86.03316	0.7
87.00874	11.1
89.02442	76.0
90.02724	0.8
91.04005	1.0
95.01386	3.0
97.02949	7.5
98.20669	0.7
99.00867	2.5
101.02441	48.7
102.02751	1.4
110.89881	0.8
113.02445	24.4
114.02773	0.9
119.03500	25.1
125.02428	10.5
131.03516	3.7
141.01965	0.7
143.03500	9.4
149.04565	2.5
161.04555	11.9
167.12184	0.7
179.05606	22.8
185.04611	1.0
191.05647	2.6
221.06653	4.9
235.08255	8.9
253.09311	8.9
263.07660	3.8
281.08765	0.8
287.07626	2.1
305.08865	1.5
307.25754	0.7
317.05276	0.8
323.09854	1.1
341.10861	25.0
342.11166	1.4
395.35468	0.8
415.14554	100.0
416.14966	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	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03451	1.4
57.80703	0.3
58.00588	3.3
59.01374	79.0
60.01707	0.7
60.99300	0.5
61.74346	0.3
61.98811	0.5
67.01907	0.5
69.03456	1.0
69.38226	1.9
71.01377	72.2
72.01711	1.2
72.99307	2.8
73.02943	11.3
73.03358	0.6
75.00861	0.3
77.02426	0.3
83.01381	3.0
83.05036	0.4
85.02948	12.1
86.03281	0.3
87.00875	3.7
88.04037	0.3
89.02438	100.0
90.02743	1.3
93.03463	3.4
95.01378	1.7
97.02942	0.9
98.20623	0.5
99.00864	2.9
99.04533	0.3
101.02436	37.2
102.02762	0.8
111.04511	0.8
113.02438	17.0
115.00378	0.5
119.03495	12.2
125.02441	2.5
131.03491	25.8
132.03902	0.6
137.09671	0.3
139.62456	0.3
143.03482	3.1
144.03845	0.3
149.04543	50.9
150.04892	0.9
155.03484	0.5
161.04559	3.7
165.73596	0.3
173.04539	13.3
174.04887	0.4
179.05598	7.8
179.10687	0.5
180.05968	0.3
188.41185	0.3
191.05595	11.7
192.05963	0.4
197.11806	0.6
224.17667	0.4
241.09090	0.2
241.10840	2.4
251.07614	0.9
281.19836	0.5
283.11789	2.9
299.20749	0.5
300.19434	0.5
311.09708	0.5
415.16269	6.1
415.21851	1.0
416.16257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77192	0.7
59.01377	100.0
60.01704	1.1
60.31401	0.7
62.25676	0.7
65.07712	0.7
70.87208	1.7
70.87535	0.9
85.40862	0.7
118.32529	0.8
164.65923	0.8
182.25287	0.7
205.37245	0.7
300.52499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	1.1
69.89000	2.7
77.34179	0.5
92.29248	0.5
95.01576	0.5
96.77992	0.4
97.37830	0.5
118.86824	0.7
277.21664	2.8
420.83105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.306
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
54.00526	0.9
59.01369	4.3
62.55646	1.0
67.48920	1.1
71.19946	1.1
77.92428	1.0
83.16774	1.0
88.56606	0.9
98.20043	5.7
98.20727	2.4
133.51955	1.0
249.43568	1.1
312.04568	1.1
327.73679	1.0
393.89624	1.1
413.30585	100.0
414.30847	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03449	0.8
59.01375	100.0
60.01705	1.2
61.98836	1.2
69.42059	2.2
71.01376	5.9
72.02631	0.3
72.99315	0.7
73.02941	3.0
75.00861	0.8
76.72434	0.3
83.01388	0.8
83.05055	0.3
85.02946	5.7
87.00887	0.9
89.02436	2.1
93.03458	1.6
95.01395	1.1
99.00892	1.7
101.02438	3.5
111.04529	0.9
113.02444	5.6
115.00414	0.4
117.01961	0.6
119.03534	0.6
134.03783	1.6
134.23738	0.3
137.02519	0.3
149.06052	2.0
155.03534	0.4
160.01683	0.4
161.02457	0.3
161.04538	1.5
168.02010	0.3
173.04507	4.1
175.02505	0.7
183.76277	0.3
191.05585	7.2
192.05956	0.5
194.99083	0.3
209.15514	0.6
224.25859	0.3
255.02979	3.1
256.03830	1.6
256.53232	0.3
257.04202	0.4
268.03760	0.3
269.04422	0.5
283.02441	2.5
284.03156	4.9
285.03848	1.6
304.05881	0.7
304.56116	0.4
307.15924	0.3
317.35059	0.3
327.05334	0.3
333.00787	0.4
334.01263	0.8
353.19781	1.4
368.09525	0.4
371.20627	4.2
413.09152	0.4
413.21790	1.2
414.25507	0.6
433.09213	2.8
434.09650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03449	0.8
59.01375	100.0
60.01705	1.2
61.98836	1.2
69.42059	2.2
71.01376	5.9
72.02631	0.3
72.99315	0.7
73.02941	3.0
75.00861	0.8
76.72434	0.3
83.01388	0.8
83.05055	0.3
85.02946	5.7
87.00887	0.9
89.02436	2.1
93.03458	1.6
95.01395	1.1
99.00892	1.7
101.02438	3.5
111.04529	0.9
113.02444	5.6
115.00414	0.4
117.01961	0.6
119.03534	0.6
134.03783	1.6
134.23738	0.3
137.02519	0.3
149.06052	2.0
155.03534	0.4
160.01683	0.4
161.02457	0.3
161.04538	1.5
168.02010	0.3
173.04507	4.1
175.02505	0.7
183.76277	0.3
191.05585	7.2
192.05956	0.5
194.99083	0.3
209.15514	0.6
224.25859	0.3
255.02979	3.1
256.03830	1.6
256.53232	0.3
257.04202	0.4
268.03760	0.3
269.04422	0.5
283.02441	2.5
284.03156	4.9
285.03848	1.6
304.05881	0.7
304.56116	0.4
307.15924	0.3
317.35059	0.3
327.05334	0.3
333.00787	0.4
334.01263	0.8
353.19781	1.4
368.09525	0.4
371.20627	4.2
413.09152	0.4
413.21790	1.2
414.25507	0.6
433.09213	2.8
434.09650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01380	100.0
60.01719	0.8
61.98819	0.9
69.94071	0.8
69.94461	0.5
71.01386	4.4
73.02962	1.8
83.01367	0.6
83.05048	0.4
85.02950	1.8
87.00917	0.4
89.02456	1.3
93.03474	0.6
95.01380	0.5
96.96022	0.9
101.02448	2.4
113.02496	1.6
114.09996	0.4
114.32832	0.3
119.05022	0.4
124.44695	0.3
161.04582	1.2
173.04631	1.0
173.40915	0.3
191.05704	1.3
236.35416	0.3
272.82541	0.3
329.77032	0.4
347.05817	0.3
363.55090	0.4
413.17654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03426	0.7
58.00618	0.7
59.01383	100.0
60.01720	1.3
61.98830	0.9
63.38345	0.8
64.21999	0.7
67.01923	0.9
69.03464	1.5
70.14534	1.6
70.14928	0.9
71.01385	34.9
72.99324	1.9
73.02951	39.9
75.00871	0.8
83.01387	11.1
85.02953	4.2
87.00889	1.8
89.02444	8.9
93.03478	2.4
95.01418	1.1
96.96030	1.0
97.02924	0.9
99.00884	0.8
100.56295	0.6
101.02448	36.0
113.02454	11.8
119.03502	4.7
125.02494	1.9
131.03537	3.2
137.27031	0.6
143.03516	4.2
145.29216	0.6
149.04567	4.5
150.28352	0.7
155.03554	2.5
161.04553	8.6
171.42577	0.6
172.59474	0.8
173.04604	3.5
191.05667	1.3
192.92371	0.7
203.05713	1.3
221.06633	1.3
239.12898	1.6
251.16634	0.8
359.24927	0.7
413.21890	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	413.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.8
57.03448	2.1
59.01075	1.5
59.01376	31.6
61.98814	2.7
71.01380	24.4
71.25777	2.0
72.99300	2.1
73.02932	11.2
75.00875	2.0
75.16673	1.2
83.01394	5.8
85.02937	15.7
87.00883	1.8
89.02455	3.4
95.01373	2.5
96.96006	25.6
99.00875	4.9
101.02439	32.5
108.04556	1.3
113.02447	11.1
117.45486	1.1
118.03025	1.7
139.12022	1.1
141.01709	2.7
143.03471	2.2
156.07478	1.2
159.02940	2.8
161.04591	9.8
162.05658	1.3
163.03960	2.5
188.03519	1.3
191.01981	3.2
207.54915	1.2
209.03055	1.9
213.00360	1.4
221.10278	100.0
222.10620	5.1
231.01195	4.2
233.05257	1.2
353.14487	68.8
354.14822	5.0
377.04626	2.5
413.12000	1.5
413.20956	2.9
414.20822	2.9
425.18881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.34421	0.9
57.03458	2.5
57.19243	1.0
58.00581	1.3
59.01375	37.1
61.98801	1.5
70.29506	2.6
70.29884	2.1
71.01004	2.1
71.01378	28.9
72.99307	1.5
73.02933	11.5
81.16335	1.0
83.01388	4.7
85.02949	17.7
86.18016	0.9
87.00886	1.8
89.02449	5.6
95.01369	1.6
96.96008	16.2
99.00872	6.5
101.02435	31.4
101.54243	1.0
106.43232	1.0
111.00888	1.2
113.02434	12.0
119.03479	1.1
131.03473	1.4
131.99654	1.0
135.04492	1.8
142.00122	1.0
143.03502	1.2
147.03030	1.2
149.04533	1.2
149.06107	1.4
158.39063	1.0
159.02950	2.9
161.04541	10.7
163.03954	2.2
171.51863	1.1
178.88402	1.0
189.05620	2.8
191.01903	3.2
191.05530	1.3
207.06656	2.4
221.10291	100.0
222.10629	4.6
231.01105	2.1
353.14520	71.7
354.14801	5.5
377.04788	1.6
388.62680	1.0
407.53409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.28055	7.6
76.37765	0.8
98.19914	1.4
98.20605	2.5
120.32541	0.8
185.07327	0.8
198.63991	0.8
221.54541	0.9
249.44327	0.8
263.31274	0.8
431.02609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41927	0.7
59.01379	100.0
60.01754	0.7
86.63271	0.7
127.03534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61349	0.3
55.74540	0.2
59.01377	5.6
60.01720	0.6
61.98827	100.0
69.62805	1.6
71.01379	1.2
73.02946	0.4
78.41473	0.2
80.58627	0.2
85.02987	0.5
87.00895	0.3
89.02447	0.4
93.03474	1.2
98.77581	0.2
100.79560	0.3
101.02435	0.4
106.11868	0.3
111.04514	0.3
113.02457	0.4
130.10518	0.2
134.03723	0.2
137.26431	0.2
161.02495	0.4
162.03220	5.5
173.04526	3.7
177.05536	5.0
191.05615	2.7
198.06519	0.2
212.08278	0.4
239.09206	0.3
255.08701	1.2
256.09219	1.0
280.14917	0.3
343.12296	0.3
375.12756	0.4
375.16867	0.8
376.13098	0.4
376.17172	0.8
389.93137	0.3
413.14496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72016	0.4
55.01871	0.6
57.03460	0.8
58.00575	0.6
59.01379	100.0
60.01715	1.2
61.98843	0.5
69.03468	1.3
69.35222	3.0
71.01380	22.0
72.01727	0.5
72.99324	1.1
73.02948	29.1
75.00892	0.6
78.95947	0.9
79.26959	0.4
81.03451	0.6
83.01379	7.3
85.02961	4.2
87.00924	0.6
89.02446	8.6
95.01418	1.4
99.00885	0.7
101.02441	28.1
102.02779	0.6
113.02447	11.5
119.03512	3.6
121.06643	1.0
121.78174	0.5
125.02465	1.1
129.24278	0.4
131.03514	2.4
135.66266	0.4
137.09702	7.9
143.03554	2.2
149.04607	1.3
155.03499	0.9
161.04549	5.8
179.05721	0.9
189.12903	1.1
190.78215	0.4
306.39111	0.4
433.87549	0.5
439.94672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.9
61.98825	6.1
68.99740	0.9
71.01361	4.4
71.12932	2.1
72.99287	3.2
75.00868	59.0
83.13199	0.9
89.02436	9.1
99.00826	1.0
109.04978	1.0
117.01926	1.8
121.10233	20.0
122.10538	1.0
127.11306	0.9
135.02988	66.6
136.03253	1.2
147.11609	0.8
151.36198	0.9
171.10248	49.5
172.10532	1.8
173.39653	0.9
174.99194	1.3
177.12997	1.1
185.11803	2.2
197.33380	1.1
214.65387	0.9
231.21130	4.3
238.45236	0.9
275.20120	91.7
276.20505	8.3
293.21194	100.0
294.21552	10.5
411.13480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16227	0.4
58.00573	0.5
59.01378	11.1
61.98821	1.5
69.55945	3.3
70.44416	0.5
71.01389	3.3
72.99313	2.9
75.00871	40.8
87.00851	0.9
89.02443	6.9
99.00861	0.9
104.25017	0.5
109.39124	0.4
116.92786	0.5
117.01921	1.9
118.13142	0.4
134.14473	0.5
135.02994	44.3
136.03354	1.0
179.14386	0.6
180.77385	0.5
195.13916	6.6
196.14484	1.0
205.16020	0.6
223.13393	6.3
235.17079	0.9
256.13135	1.8
275.20169	6.4
276.20749	0.8
293.21210	100.0
294.21555	10.4
307.36679	0.5
427.93097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1269
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.05408	0.7
52.26741	0.6
52.89438	0.7
55.01875	0.7
56.87216	0.6
57.03439	0.9
59.01376	10.8
59.72406	0.6
61.98823	2.7
70.40005	0.7
70.66992	1.4
70.67371	1.5
71.01002	1.1
71.01376	14.3
72.00906	29.6
72.99311	1.3
73.01215	0.8
73.02948	4.0
74.00478	0.7
74.02468	17.8
80.01096	0.8
83.01370	3.2
85.02946	5.6
87.00877	1.2
89.02433	4.5
95.01393	1.0
96.96015	2.1
99.00883	2.4
100.00404	40.1
100.04039	3.2
101.00777	1.0
101.02442	11.3
113.02447	5.8
118.05099	100.0
119.03515	1.8
119.04987	11.2
131.03511	0.7
134.04721	1.2
143.03566	0.9
144.03018	37.7
159.02968	1.0
160.02592	3.7
161.04535	9.2
163.03999	11.1
173.04475	0.9
173.92586	0.7
191.05595	2.8
198.27171	0.7
237.07719	1.0
279.14462	25.5
280.14847	2.6
376.23367	2.2
411.01978	1.1
411.13437	0.9
411.18695	7.2
412.21149	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	0.3
56.29087	0.3
56.58118	0.4
57.03459	0.6
59.01381	100.0
60.01718	0.8
61.98830	0.8
69.03458	0.5
71.01385	12.2
71.26648	0.3
71.26998	0.6
73.02954	4.3
75.00861	0.4
78.95916	0.6
81.03488	0.6
81.73176	0.3
83.01411	1.1
83.05045	1.1
85.02963	3.6
87.00890	1.1
89.02446	4.9
93.03456	1.0
95.01410	1.2
96.96004	1.0
97.06597	0.6
98.50589	0.4
99.00892	0.6
101.02447	7.1
113.02451	9.0
114.02757	0.4
119.03498	1.6
131.03506	1.0
135.04477	0.5
137.09720	1.7
143.03519	0.8
149.04587	0.4
161.04559	3.1
170.21014	0.3
173.04591	1.4
173.09737	0.3
189.12877	2.2
191.05690	1.0
231.13881	0.4
379.12616	0.4
411.20898	0.5
411.27563	1.1
411.77786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2233
Annotation	Dendronpholide R
Peak:m/z	Relative Intensity
59.01381	1.1
63.43754	0.4
67.56685	0.5
68.23082	0.6
69.23231	2.8
69.23642	1.6
71.01387	56.2
72.01721	0.7
81.75656	0.5
96.09018	0.5
96.99332	0.7
98.19035	0.5
99.00878	0.7
115.00381	100.0
116.00733	2.4
122.90697	0.6
125.02487	1.7
125.09721	2.5
137.09750	0.8
139.11285	0.5
155.10664	0.5
163.11316	0.7
165.12857	1.3
167.14375	0.6
171.10252	2.0
187.09645	0.9
195.13884	1.1
199.09863	2.6
206.93396	0.5
210.39355	0.6
242.11621	0.6
242.56441	0.6
266.11676	1.2
293.21228	8.1
294.21719	0.7
298.10602	1.7
303.23242	1.6
309.20810	1.4
311.22263	9.8
312.22647	1.0
321.24359	6.1
329.21033	0.7
337.23883	1.4
347.22299	6.2
365.23325	18.3
366.23596	1.9
391.21182	1.6
409.22308	35.9
410.22784	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	410.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05361	3.7
59.01365	15.0
60.93308	3.5
61.98827	100.0
69.81370	19.7
71.01353	10.8
73.02942	5.0
84.05199	3.7
88.49112	3.7
89.49097	3.4
93.03469	6.4
96.95995	3.3
99.00814	7.9
106.37907	3.6
119.05000	15.6
135.04532	4.0
163.03992	7.0
173.04527	8.3
178.05882	3.5
182.21724	3.6
191.05602	8.5
265.27692	3.5
361.02283	3.8
410.19446	48.2
411.19379	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42266	9.2
59.01382	15.2
61.98814	12.4
70.06136	8.8
70.06476	30.3
71.01363	11.2
71.29569	6.7
72.28595	7.6
91.97987	7.0
94.23023	7.3
96.95979	16.8
98.20538	11.0
117.74747	7.2
119.05028	18.3
149.02423	27.3
150.03188	42.3
151.03523	8.1
152.22760	7.3
155.13373	7.0
156.46834	8.2
163.03998	27.3
164.04744	11.6
164.07135	13.6
165.05553	100.0
191.05519	9.5
195.06631	35.1
205.03819	7.1
327.10934	40.8
357.11679	9.4
375.04526	17.6
411.02002	12.8
411.10654	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2232
Annotation	Dendronpholide R
Peak:m/z	Relative Intensity
50.55746	2.4
51.54403	2.2
53.36812	2.2
58.11183	2.3
59.01383	7.6
61.98837	6.5
64.01972	2.3
68.88439	2.2
69.52217	2.3
71.01382	100.0
71.55978	3.3
81.03469	11.2
89.03599	2.3
96.96057	4.8
99.00918	3.1
99.08173	2.7
101.39110	2.4
110.03754	7.1
111.65198	2.5
115.00373	85.4
139.11269	12.0
154.09789	2.3
163.11366	4.5
181.12392	10.7
183.10303	5.8
210.25266	2.3
211.13513	3.6
249.14909	18.0
267.16150	8.6
270.72696	2.6
291.19885	6.8
293.21252	20.4
294.21414	2.5
309.20868	5.0
311.22293	35.4
311.25696	2.7
312.22742	3.4
321.24374	43.3
322.24664	2.8
347.22525	7.1
348.22354	3.8
365.23346	15.3
409.22540	86.3
409.27728	4.8
410.22961	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	409.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
59.01371	4.5
61.98833	1.8
70.88161	1.9
70.88508	2.2
71.01385	91.8
71.05047	1.4
72.01715	1.3
83.05032	1.2
91.50644	1.1
96.99319	3.6
98.96707	1.1
99.00888	22.3
109.06590	1.8
111.08149	1.4
115.00380	100.0
115.35120	1.3
116.00797	1.5
116.92850	1.4
123.04543	1.9
123.08102	1.5
125.09737	1.3
127.11300	1.5
129.09233	3.7
137.02405	1.5
139.11278	3.4
141.09181	1.3
151.11290	3.1
153.09238	1.2
153.12914	2.6
155.14403	3.3
167.10802	3.5
169.12328	3.7
170.54570	1.0
171.10352	1.6
179.14529	1.5
181.12286	6.1
191.14354	1.6
195.13789	1.0
197.11818	4.1
207.13885	1.1
209.11797	1.3
209.15421	2.0
215.12836	1.3
225.14890	1.6
235.13506	2.6
249.22139	1.4
253.14424	4.7
265.21695	2.6
281.14005	1.5
291.19513	3.9
293.21179	12.1
294.21460	1.2
295.51059	1.1
303.23245	2.6
305.69073	1.1
309.20734	34.3
310.20941	4.4
311.22275	57.2
312.22485	6.5
321.24319	41.1
322.24658	4.1
324.12201	2.6
329.21283	3.5
347.22232	16.4
348.22757	2.3
349.13672	1.4
365.23309	17.9
409.22287	49.4
410.22638	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	409.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
59.01381	7.2
61.98835	5.8
64.72807	0.8
68.33741	0.8
69.62887	1.8
69.63290	4.4
71.01385	21.1
73.02949	6.8
75.00875	5.7
78.95898	2.4
96.96952	3.1
97.06595	0.9
99.00880	34.6
99.92609	4.6
115.00379	10.2
115.92085	3.6
116.92844	4.6
117.01939	10.7
125.06035	1.1
125.09705	3.2
127.11304	1.1
139.11287	2.0
152.99588	1.0
165.12825	2.1
171.10280	2.5
175.27083	0.9
181.12331	1.4
193.12288	1.1
197.11824	1.9
199.09677	2.4
200.10457	1.1
201.11276	2.0
211.13402	2.0
247.20607	2.6
265.07626	2.2
267.09216	3.1
269.07074	4.5
281.21320	1.3
291.19644	12.8
293.21234	4.9
295.08548	1.3
309.10281	15.7
309.20712	100.0
310.10373	1.2
310.21042	8.8
311.22253	15.5
347.22113	1.2
357.90015	1.0
409.13098	2.5
409.22702	13.7
410.22623	1.1
429.05844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98830	0.7
71.01383	61.9
71.55924	0.7
72.01723	1.0
78.95911	1.0
96.95995	1.1
96.99256	0.6
99.00893	3.0
115.00373	100.0
116.00725	2.0
131.16754	0.5
131.54153	0.5
141.12877	0.6
165.12793	0.8
169.08640	0.5
194.09421	0.9
195.13934	1.1
211.00317	0.6
221.15294	0.8
223.13527	0.5
223.16968	0.6
226.08430	3.6
237.15030	3.9
249.15123	0.7
249.22209	1.0
265.14511	0.8
267.16000	2.7
282.14722	0.8
293.21265	6.2
294.21558	0.6
298.07507	1.3
303.23355	1.6
309.20740	3.6
311.22290	11.6
312.22781	0.7
321.24310	8.7
322.24655	1.1
329.21164	0.9
337.23886	1.1
347.22247	9.5
348.22629	1.0
365.23276	21.2
366.23691	1.7
391.21414	1.5
409.22290	38.5
410.22675	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01709	1.0
61.98831	1.2
69.79237	1.9
71.01388	2.7
73.02952	0.7
85.02965	1.5
87.00921	0.6
89.02448	0.5
90.48513	0.3
93.03474	2.6
96.96010	0.7
97.06644	0.7
99.00879	0.4
101.02448	1.9
111.04562	0.9
113.02446	0.8
119.03529	0.4
127.04041	0.5
133.02954	0.6
134.03694	0.6
135.04533	1.9
137.02493	0.4
143.93340	0.3
155.03548	0.7
155.53069	0.4
161.04588	1.0
165.92564	0.3
173.04553	6.3
177.02017	0.7
179.03549	1.7
179.61575	0.4
191.05609	6.3
191.07355	0.3
192.05824	0.4
199.53656	0.4
199.55711	0.4
201.09322	0.4
204.06238	0.9
229.08684	0.3
242.05208	0.8
242.55499	0.8
253.35132	0.4
264.04739	0.5
267.06738	0.6
289.16583	0.9
291.08954	0.7
300.09399	0.6
307.17639	3.4
311.05698	0.5
313.08264	0.6
332.65646	0.4
349.18655	3.9
350.18948	0.5
369.83023	0.3
418.01334	0.4
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
59.01376	100.0
60.01712	1.0
61.98835	0.9
67.01888	0.6
71.01391	1.1
72.99355	0.3
73.02952	0.7
81.17599	0.3
83.05003	0.5
85.02949	1.4
87.00889	0.4
91.47501	0.3
93.03445	2.2
96.96009	0.5
97.06602	0.5
98.19811	0.6
100.82381	0.3
101.02447	0.9
109.02944	0.5
111.04528	0.7
113.02446	0.6
119.27403	0.3
131.33443	0.3
133.02963	0.6
135.04518	3.2
137.02365	0.3
147.04436	0.4
155.03549	0.5
164.07132	0.4
171.10257	0.9
173.04520	4.9
173.10757	0.4
174.04893	0.7
178.02718	0.3
179.03487	2.5
191.05597	8.0
192.05946	0.8
204.06140	0.6
209.11777	0.5
219.03070	0.4
229.06650	0.4
229.08749	1.4
231.10240	0.3
242.05095	0.3
265.05298	0.3
267.06601	0.3
291.08835	0.9
307.17758	0.9
313.08267	0.6
313.58490	0.3
314.57086	0.3
322.08826	0.5
349.18869	0.8
353.08945	0.4
409.19833	0.4
432.30099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71951	0.9
52.99185	0.8
57.03451	1.5
59.01377	6.4
61.98820	3.2
70.70506	0.9
71.01385	100.0
71.24964	2.0
72.01716	1.6
81.03488	2.4
83.01389	1.7
83.05031	1.9
85.02947	1.1
95.01414	2.3
95.05023	1.3
96.96080	0.9
96.99355	1.8
97.02956	5.4
99.00911	4.8
108.02223	1.6
109.06585	1.4
110.03757	4.1
111.04528	1.3
115.00381	91.1
116.00759	1.0
116.92822	1.0
123.08141	2.8
129.81729	0.9
135.11804	1.9
136.96571	0.8
137.09689	1.1
139.11288	7.9
151.93607	1.1
161.09731	2.2
171.10341	1.1
179.10791	4.1
183.10287	2.6
185.11829	1.7
195.14140	0.9
199.13428	4.8
201.11377	1.9
205.16005	3.1
211.13403	1.1
221.11768	2.2
239.12949	2.5
249.14957	14.8
251.12859	1.8
267.15976	9.6
289.18143	2.6
291.19669	21.2
301.21698	1.7
307.19226	5.7
309.20712	14.6
310.20920	1.2
319.22778	29.6
320.23209	3.2
331.12659	1.0
345.20703	6.1
347.17484	3.3
354.22470	0.9
363.21704	9.9
363.25717	1.3
364.22159	1.2
400.03235	0.9
407.20801	46.8
408.21133	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	409.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43277	2.7
59.01377	100.0
59.48257	2.6
61.98825	24.0
64.02317	3.0
70.18034	6.9
71.01376	37.3
72.99301	5.8
73.02948	6.6
75.00859	3.0
76.53613	2.9
80.42521	2.3
82.95415	22.6
83.01385	3.4
85.02955	17.3
87.00884	5.6
87.44543	2.8
89.02431	28.1
93.03459	11.7
95.01375	3.2
96.95972	3.2
97.06617	3.2
98.20659	2.7
99.00905	2.5
100.97721	2.6
101.02444	26.5
111.04521	3.1
113.02451	16.8
116.05086	11.3
117.05415	8.6
119.03489	8.2
130.06633	2.6
135.04568	5.5
143.03503	3.8
145.07726	7.7
158.06108	10.4
159.06416	9.8
161.04599	17.6
169.11659	2.9
173.04594	26.0
173.06032	5.1
179.03542	4.6
179.05630	4.9
187.13350	3.8
191.03920	5.1
191.05609	37.4
191.07137	5.3
192.05777	3.4
204.06004	5.1
277.12860	4.4
291.08707	3.9
313.08179	5.7
322.08777	3.7
349.18655	47.1
350.18839	4.2
409.12546	12.0
409.21222	4.4
410.19473	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	407.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
61.98828	0.8
62.56261	0.4
64.05428	0.4
69.40863	3.5
71.01384	58.7
72.01714	0.7
78.07453	0.5
85.19252	0.4
96.37490	0.4
99.00884	2.4
111.00916	0.6
115.00378	100.0
116.00701	1.7
125.09747	0.8
137.02443	1.7
151.04092	0.5
162.35944	0.5
165.12843	0.7
171.10318	0.6
194.09554	0.7
199.09862	1.0
224.06886	2.5
237.14838	2.7
247.20529	0.8
260.90045	0.5
265.14389	1.0
267.16110	1.5
281.13815	0.5
282.14783	1.0
289.18182	0.5
291.19650	7.5
294.14633	3.5
301.21713	1.4
307.19208	2.7
309.20731	8.6
310.21011	0.8
319.22760	8.1
320.23087	0.9
327.19754	1.4
345.20609	6.5
346.21091	0.8
347.17734	0.6
363.21756	13.7
363.26117	0.9
364.22122	1.4
389.19705	1.1
407.20758	28.8
408.21045	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	407.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
59.01372	3.1
61.98827	1.1
67.28938	0.4
71.01376	53.5
72.01683	0.8
76.09248	0.4
84.90593	0.4
85.02972	0.4
96.95998	0.5
96.99326	0.6
99.00871	2.3
100.29793	0.5
101.98475	0.4
111.04507	0.8
115.00365	100.0
116.00716	1.9
116.92825	0.5
125.09698	1.5
137.02434	1.0
139.11292	1.3
139.39296	0.4
149.83765	0.5
151.04089	0.5
163.11276	1.2
171.10249	1.2
175.11263	0.6
179.10783	0.6
181.01408	0.6
183.10316	0.6
185.11832	0.8
193.12395	0.6
199.09743	1.4
199.13445	0.6
201.11313	0.6
202.15956	0.4
239.12859	0.7
263.19922	0.4
265.86499	0.5
289.18207	0.8
291.19629	5.7
292.20062	0.5
298.10410	0.6
301.21793	1.1
307.19144	3.9
308.19421	0.5
309.20673	10.6
310.21222	0.7
315.70685	0.4
319.22726	7.0
320.23187	1.0
327.19565	1.4
335.22101	0.7
345.20587	4.5
346.21179	0.5
347.17255	0.9
363.21722	11.7
364.22144	1.4
402.30011	0.5
407.20691	22.0
408.20987	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	407.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70393	1.5
59.01384	25.3
61.98817	7.3
71.01381	27.1
71.56324	2.4
75.81281	1.9
80.02656	1.9
80.91683	22.9
80.96528	2.0
83.05019	2.7
84.02168	2.3
85.02931	4.4
93.03454	3.5
95.01355	2.1
95.05012	5.8
96.96001	7.6
97.02949	1.7
97.06584	3.0
106.04256	1.8
106.79240	1.8
109.06535	1.7
113.02487	2.0
113.06078	2.0
119.58455	1.8
121.02951	1.9
123.04552	8.4
125.09712	3.6
127.07639	15.2
135.08157	2.5
139.07642	3.5
153.09164	4.9
163.11227	2.6
171.10263	17.2
178.10002	2.0
185.11787	5.3
191.05540	3.0
193.08368	3.4
197.11758	9.8
207.06450	1.9
207.09988	23.0
209.11803	33.5
211.13394	1.8
219.10001	6.5
221.07986	13.2
231.09904	2.3
235.09512	3.9
238.12000	2.6
245.18959	2.2
256.12985	2.6
259.13361	2.1
260.10291	29.5
277.10608	4.1
278.11349	100.0
279.11584	5.3
289.18024	8.1
307.19122	36.2
308.19495	3.7
320.11057	2.7
325.20154	39.9
326.20486	4.1
329.17319	56.5
330.17462	4.9
347.18051	30.4
348.17993	2.4
407.20383	2.7
407.28235	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03459	0.8
59.01377	100.0
60.01727	1.0
61.98828	21.4
67.01896	1.0
67.72185	0.6
69.03439	0.8
71.01379	21.5
71.01778	1.1
71.05013	0.8
71.55392	0.6
72.99315	1.8
73.02943	7.5
83.01398	2.0
83.05020	0.7
85.02951	8.5
87.00890	2.6
87.04539	0.8
88.04067	0.9
89.02439	12.0
93.03464	3.9
95.01405	1.8
95.04925	0.6
96.96014	1.1
97.06593	5.0
99.00907	2.3
101.02435	11.9
108.08800	0.5
109.13963	0.6
111.04519	1.3
113.02446	9.9
114.05643	1.1
115.00375	1.9
115.07649	15.5
116.05059	5.9
117.03477	1.4
119.03525	5.2
119.05004	10.5
119.05783	0.7
121.02978	1.7
125.02454	0.7
128.05099	1.1
129.01906	0.9
131.03522	0.9
134.03810	1.0
143.03535	1.4
149.02492	0.6
150.03188	1.2
155.03532	1.4
158.06136	4.3
159.02985	1.6
161.04546	15.1
161.05879	0.9
163.04004	4.3
167.10748	1.8
173.04529	5.7
175.02458	4.8
179.05653	2.4
181.05000	0.7
184.07616	0.7
185.02190	21.4
185.11800	8.5
186.02576	0.8
189.22032	0.6
191.05600	13.3
201.51431	0.6
203.03371	0.7
205.03625	0.8
211.06195	0.6
233.10248	0.9
262.08487	0.9
279.03119	1.3
285.04224	0.7
320.06628	2.3
320.56531	0.9
340.48584	0.6
344.18649	0.8
347.07480	2.2
347.17062	15.2
348.17706	1.1
365.18127	1.4
377.10236	5.6
378.10727	1.5
407.13864	1.2
407.19397	6.5
408.13425	2.1
408.19562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74081	25.1
56.38197	23.6
61.28506	20.3
61.98827	34.3
68.22134	22.8
70.14439	100.0
70.14775	29.8
76.68048	21.7
78.41410	24.7
90.30257	22.0
114.32901	23.9
135.14618	24.1
146.36095	21.5
249.08305	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2643
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
59.01387	3.2
61.98831	1.8
69.98933	1.9
83.05027	1.4
86.26524	0.5
93.07082	0.5
97.06597	0.6
98.20528	0.7
107.04973	0.8
109.06603	0.8
111.08170	1.2
135.08168	0.8
211.13409	1.4
213.14978	1.5
231.17664	0.7
237.18680	0.8
239.16492	2.6
241.18088	1.5
247.13470	0.9
252.59673	0.5
253.18298	0.6
265.17664	0.7
267.19766	1.0
303.50558	0.6
313.25531	0.7
315.26831	2.6
323.22296	0.9
325.25296	3.5
326.25598	0.7
333.28329	0.9
341.24734	2.0
343.26358	2.6
351.23282	1.1
359.26038	3.1
361.27457	2.2
369.24237	3.5
370.24664	0.7
377.26910	1.5
387.25409	9.4
388.25717	1.0
405.26459	100.0
406.26813	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	407.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.9
61.98835	16.5
71.01382	9.3
71.47112	1.4
75.00880	4.6
78.95901	14.4
79.95748	1.4
91.67749	1.4
96.96015	28.5
96.96970	23.2
97.03001	1.3
97.93156	2.4
99.92588	4.9
101.02430	1.0
113.92650	1.4
114.93388	1.9
115.00379	2.4
115.92094	4.8
116.92868	8.7
153.09161	1.2
171.10286	1.9
173.98495	1.5
189.97754	1.2
201.97913	1.6
222.08749	2.7
223.09476	1.5
239.07146	1.4
241.00253	11.3
255.01967	2.8
256.02667	1.9
259.98453	4.3
269.03510	2.7
270.04333	4.5
291.19778	1.8
298.07339	100.0
299.07629	6.6
307.19299	2.6
309.20822	3.8
331.18884	4.4
338.10495	10.0
347.16800	4.3
401.23187	1.3
407.11517	5.4
407.17630	8.0
407.27887	3.0
408.17746	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	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71197	18.6
59.01376	55.6
61.98823	100.0
70.30553	59.4
89.28945	19.7
96.96011	19.0
121.07042	22.7
158.83035	18.5
162.83662	21.9
163.54524	19.3
166.57217	22.4
188.91393	19.6
192.05148	21.9
222.09906	20.3
244.95003	22.0
258.83121	19.3
405.26309	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01868	0.6
57.03439	1.0
58.00588	2.2
59.01379	56.4
60.01722	0.6
61.98828	12.7
69.03480	0.5
69.64941	1.5
69.65351	1.5
71.01379	48.9
71.05003	0.5
72.01690	0.6
72.99288	2.9
73.02944	9.8
78.95904	2.9
83.01389	3.1
85.02946	7.2
87.00882	1.5
89.02443	27.2
93.03462	0.5
95.01389	1.5
96.95992	0.7
96.96980	0.8
99.00874	1.4
99.04481	0.9
101.02440	20.1
101.26352	0.5
102.02773	0.7
108.02171	1.2
108.76699	0.5
113.02443	10.5
119.03502	12.1
120.03820	0.8
127.11332	1.0
131.03474	0.8
134.06056	0.7
135.04550	0.7
139.11292	0.9
143.03484	1.4
145.12271	0.6
152.01057	1.1
153.12857	3.1
159.54819	0.5
161.04518	3.0
179.05571	1.9
181.12346	1.0
183.13911	1.0
191.03543	1.0
191.05473	0.5
199.13388	6.2
204.18623	0.5
209.10815	1.0
218.72224	0.5
225.14925	2.0
227.11870	2.0
255.11421	3.2
263.05524	1.1
285.12411	8.8
286.13101	0.7
308.05347	1.4
311.10370	0.6
317.15054	3.3
329.11346	3.6
345.19107	1.8
361.14026	0.7
363.20279	1.2
387.20163	0.8
405.21277	100.0
406.21692	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	405.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98790	0.4
58.02971	2.5
59.01378	29.1
60.01700	2.3
60.17261	0.5
61.01796	0.6
61.98827	100.0
69.55759	3.2
71.01373	3.2
72.99318	0.8
73.02962	0.7
74.02473	4.3
83.01347	0.5
85.02971	1.4
87.00854	0.5
89.02412	2.5
96.96025	1.2
98.20623	0.9
99.05643	4.5
101.02469	1.9
101.11017	0.5
106.73643	0.5
109.87563	0.4
112.39212	0.5
113.02441	1.3
119.03479	0.6
131.04639	1.1
143.04617	13.9
149.02489	0.4
171.10423	0.7
173.04610	0.5
174.76900	0.5
177.03378	32.2
178.03685	1.0
187.10823	0.8
191.05615	1.3
209.11749	0.9
225.15007	0.6
281.09360	0.7
294.20712	0.6
295.21078	1.3
311.10330	1.4
329.11346	0.6
345.15518	1.2
345.24753	5.1
346.25699	1.3
361.18576	0.6
363.16525	2.2
387.12048	0.6
405.12790	1.7
405.17422	3.3
405.22061	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	405.1916
Annotation	Durumolide A
Peak:m/z	Relative Intensity
50.17118	0.5
54.22837	0.5
59.01379	4.3
60.87481	0.5
61.98825	2.1
64.42416	0.6
66.03338	0.6
71.01379	48.5
71.56421	0.8
72.01728	0.8
79.95721	0.8
81.95290	0.9
86.18688	0.7
96.96027	1.4
98.95557	0.7
107.08662	0.8
115.00369	100.0
116.00694	1.9
125.02428	1.7
125.09755	1.5
135.08154	0.6
145.10229	0.7
159.90613	0.5
161.09776	0.9
171.10310	1.7
173.09698	0.9
189.09152	0.5
191.10767	1.0
199.09749	0.9
237.00063	0.8
242.11659	0.7
245.19208	0.8
255.21164	0.8
289.18103	3.4
299.20181	2.0
307.19159	5.9
317.21283	2.4
343.19064	2.3
346.71268	0.6
361.20090	6.2
387.18097	1.6
405.19138	27.5
406.19446	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.5
58.00578	1.3
58.81123	1.1
59.01382	100.0
60.01707	2.4
61.98835	11.8
62.65299	1.3
63.93583	1.2
71.01386	16.3
72.99319	1.5
73.02943	13.3
81.11054	1.3
83.01404	3.3
83.05014	1.6
85.02950	8.1
87.00916	3.0
89.02441	11.6
93.03460	4.2
96.96067	1.2
97.06509	1.6
99.00885	2.8
101.02440	12.9
105.72316	1.2
113.02436	7.5
119.03534	3.1
119.05021	3.3
124.01622	1.3
126.52901	1.3
131.03513	1.7
139.11293	3.9
143.03471	1.9
149.04591	2.8
151.00443	1.5
161.04561	2.6
165.05571	1.4
173.04573	9.9
177.03403	1.8
179.05423	1.5
181.12317	2.1
183.10260	5.0
191.05608	8.2
195.06636	1.4
199.13451	3.2
203.07227	2.1
209.11877	2.5
225.11343	3.8
243.12372	20.4
243.16078	2.1
271.06088	2.0
273.07523	1.5
281.09180	2.9
282.57736	1.4
285.13394	4.6
296.07932	1.6
311.10373	5.6
329.11273	2.8
345.15512	4.5
345.24857	2.9
363.19974	1.8
363.24039	2.5
378.45609	1.4
405.11957	8.9
405.17255	4.1
405.25253	18.7
406.12128	2.2
406.19626	1.5
406.25043	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1399
Annotation	Pamapimod
Peak:m/z	Relative Intensity
51.74287	0.4
56.45319	0.4
59.01377	100.0
60.01719	1.1
60.99325	0.5
61.62730	0.4
61.98832	5.8
70.04274	1.8
71.01376	2.3
73.02949	0.5
85.02945	2.6
88.98788	2.1
89.02470	1.2
96.96002	3.0
97.82445	0.5
101.02456	0.8
113.02478	0.5
122.03760	0.8
149.09717	0.5
150.03279	0.8
153.01958	1.9
153.05609	0.6
155.01782	0.7
161.04549	0.8
168.04300	4.3
173.04526	0.6
183.06610	16.5
191.02010	0.9
196.51341	0.5
209.03036	0.6
391.38541	0.5
405.01230	0.5
405.17584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01374	7.4
61.98826	6.0
69.03454	51.7
69.43978	1.4
69.44378	5.0
70.03815	1.0
71.01379	3.6
73.02931	1.2
79.01891	33.6
80.02283	0.9
80.65688	0.7
81.03446	2.1
85.02950	3.9
87.04506	2.1
89.02441	2.2
93.03452	2.1
95.01375	9.1
97.02945	29.6
97.03584	1.8
98.20626	1.4
101.02430	2.1
107.01388	80.5
108.02222	10.5
109.02950	6.9
113.02443	1.8
119.03523	1.0
119.04994	1.0
121.02942	6.5
122.03712	1.0
123.00887	15.6
125.02445	47.6
126.02792	2.1
133.02971	4.0
134.03745	1.8
134.36043	0.7
135.00900	2.1
135.04512	2.2
135.39536	0.7
136.01680	7.2
137.02415	5.3
149.02446	5.0
150.03229	0.8
151.00368	77.8
151.03989	1.7
152.01030	3.7
153.01950	18.2
154.64745	1.1
161.02585	0.8
163.04027	7.6
173.04581	1.1
175.04051	0.7
177.01920	12.4
179.03523	0.9
191.03459	0.8
195.02992	0.7
197.06027	5.8
198.06818	1.4
207.02785	1.0
213.05525	0.9
219.03033	1.3
242.05835	100.0
243.06566	58.5
243.09161	0.9
244.06932	3.3
255.04301	0.8
255.06656	1.8
278.50574	0.7
285.07706	7.0
297.06067	23.2
298.06516	1.0
345.22641	1.0
387.27646	5.0
405.11932	21.0
405.21286	3.8
405.28662	11.6
406.12259	1.8
406.28882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.71394	0.4
58.09447	0.4
59.01389	4.8
61.98832	5.6
65.00321	1.1
65.03957	2.6
67.01887	1.5
67.78174	0.4
68.99815	0.9
69.03477	0.4
69.27605	0.4
69.39206	2.0
69.39639	1.5
71.01374	1.3
73.02940	0.6
78.95923	0.7
85.02934	1.0
91.01897	38.6
92.02228	1.1
93.03468	1.2
94.89216	0.4
95.05019	1.1
97.62035	0.4
101.02468	0.8
107.05035	1.8
108.02176	3.5
109.02954	26.4
110.03252	0.7
113.02515	0.5
117.81335	0.5
119.05035	5.6
121.02962	2.2
121.06642	0.5
122.91455	0.4
123.04557	0.9
129.10338	1.1
133.02980	1.4
135.00887	100.0
136.01164	2.3
137.02435	3.6
146.88972	0.4
147.04556	0.9
149.02411	1.2
153.01938	84.2
154.02266	2.5
161.02495	0.6
171.11475	0.7
173.04503	0.7
175.03952	3.9
176.04178	0.6
177.01920	2.9
179.03488	0.7
189.01978	0.7
197.06081	1.3
199.07672	0.6
201.09218	0.6
219.18082	0.4
225.05573	1.2
243.06604	12.7
243.10286	36.4
244.06949	0.7
244.10580	3.8
244.63170	0.4
267.06747	0.9
297.06149	16.8
298.06470	1.0
376.18753	0.7
405.11832	14.0
405.20468	0.7
405.28543	1.1
406.12338	1.8
406.19928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01374	7.4
61.98826	6.0
69.03454	51.7
69.43978	1.4
69.44378	5.0
70.03815	1.0
71.01379	3.6
73.02931	1.2
79.01891	33.6
80.02283	0.9
80.65688	0.7
81.03446	2.1
85.02950	3.9
87.04506	2.1
89.02441	2.2
93.03452	2.1
95.01375	9.1
97.02945	29.6
97.03584	1.8
98.20626	1.4
101.02430	2.1
107.01388	80.5
108.02222	10.5
109.02950	6.9
113.02443	1.8
119.03523	1.0
119.04994	1.0
121.02942	6.5
122.03712	1.0
123.00887	15.6
125.02445	47.6
126.02792	2.1
133.02971	4.0
134.03745	1.8
134.36043	0.7
135.00900	2.1
135.04512	2.2
135.39536	0.7
136.01680	7.2
137.02415	5.3
149.02446	5.0
150.03229	0.8
151.00368	77.8
151.03989	1.7
152.01030	3.7
153.01950	18.2
154.64745	1.1
161.02585	0.8
163.04027	7.6
173.04581	1.1
175.04051	0.7
177.01920	12.4
179.03523	0.9
191.03459	0.8
195.02992	0.7
197.06027	5.8
198.06818	1.4
207.02785	1.0
213.05525	0.9
219.03033	1.3
242.05835	100.0
243.06566	58.5
243.09161	0.9
244.06932	3.3
255.04301	0.8
255.06656	1.8
278.50574	0.7
285.07706	7.0
297.06067	23.2
298.06516	1.0
345.22641	1.0
387.27646	5.0
405.11932	21.0
405.21286	3.8
405.28662	11.6
406.12259	1.8
406.28882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57113	0.4
59.01377	1.3
61.98832	100.0
82.31492	0.4
98.20665	0.9
133.18173	0.4
133.73859	0.4
144.31920	0.5
172.40114	0.5
201.11342	0.5
236.25435	0.4
256.97653	0.4
299.26035	0.4
307.07990	0.9
341.19601	0.4
407.01495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41361	0.5
59.01369	1.4
61.98827	100.0
71.15586	1.1
134.03754	1.2
137.90036	0.5
251.67084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	1.4
60.83860	0.5
61.98828	16.5
66.04762	0.5
69.35327	2.2
69.35761	2.1
71.01390	2.2
74.02467	0.8
81.02200	0.7
85.80277	0.5
89.02460	0.6
93.03501	0.8
94.59404	0.5
101.02440	1.2
110.38522	0.5
125.74046	0.5
140.29335	0.5
143.04648	1.9
150.36148	0.6
162.32404	0.6
177.03380	3.4
191.05682	0.7
191.85846	0.5
226.30754	0.6
231.15970	2.8
236.16466	0.6
281.09460	1.0
284.59766	0.6
294.20676	6.6
295.21539	0.8
306.20905	0.9
311.10544	1.8
312.21979	1.7
329.11566	0.8
344.24368	22.4
345.24649	2.4
405.13016	0.9
405.17245	0.8
405.21603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.0
61.98832	13.2
64.35916	4.1
69.66332	16.4
69.66738	14.0
76.78820	4.3
78.95906	7.7
107.79636	4.2
125.53094	3.9
131.39978	4.6
179.88536	5.0
341.24847	12.8
367.23001	7.4
385.23831	17.4
387.71191	4.7
403.24847	100.0
404.24988	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97104	0.5
59.01377	100.0
60.01710	1.3
70.05493	1.9
71.17427	0.5
82.13867	0.6
163.25182	0.5
176.75909	0.5
215.29652	0.5
263.15378	0.5
311.35507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02612	2.0
61.98822	8.1
66.96039	1.8
71.30733	5.1
72.99308	7.5
97.06580	6.8
118.73652	2.0
119.60081	1.7
119.67049	1.8
125.06078	97.6
127.68541	1.8
127.89436	2.2
143.07132	100.0
144.02977	1.9
144.07462	2.7
277.21701	97.0
278.22006	7.9
345.95364	2.6
361.17343	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60296	0.2
53.79875	0.2
61.73301	0.3
61.98830	100.0
62.15128	0.2
229.10139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78124	0.2
61.98831	100.0
96.12515	0.2
103.85413	0.2
130.85086	0.2
248.46758	0.2
290.27789	0.2
332.00949	0.2
398.41064	0.2
404.10565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21251	0.3
51.24675	0.4
59.01379	10.5
61.98832	100.0
69.97284	0.4
71.01364	0.8
71.56069	0.7
76.67620	0.3
81.48557	0.4
84.10123	0.5
85.02993	0.5
86.63496	0.4
93.03474	0.6
96.96014	0.5
106.64463	0.4
113.02518	0.6
119.05077	0.5
121.03017	0.5
133.03017	0.6
160.20061	0.4
173.04584	1.4
191.03717	0.5
191.05669	0.5
194.01091	0.4
201.74565	0.4
216.72122	0.4
250.53201	0.4
253.14400	0.7
263.05585	0.7
285.04086	1.2
307.07944	0.6
308.05463	1.0
368.24646	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	39.8
61.98846	35.0
69.70573	38.6
85.46546	6.1
87.00865	7.4
98.19901	13.9
184.00154	11.1
248.07840	8.5
308.51221	7.9
385.23770	15.2
403.20074	11.0
403.24792	100.0
404.24979	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49360	3.4
59.01371	43.5
61.98829	25.3
69.54211	25.2
79.95734	35.5
80.96516	4.9
95.95227	14.7
96.96011	100.0
97.02946	15.3
98.20636	7.0
133.02875	7.4
164.82599	3.7
176.98640	5.7
192.04303	5.3
325.87164	3.7
403.17926	67.6
404.18170	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.2
63.35992	12.0
69.37166	54.9
69.37594	30.6
79.95741	91.9
90.69619	12.6
92.37843	10.5
95.09658	11.6
96.96008	100.0
98.19904	18.1
102.71735	11.6
137.25455	11.5
142.86015	10.3
191.03845	14.5
280.33511	10.2
326.41400	12.1
403.17981	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46295	11.1
59.01383	63.1
61.98830	52.8
69.81617	30.3
69.82029	36.7
87.00882	32.0
102.43622	11.8
143.18437	13.5
145.30110	13.2
184.00192	16.4
221.77495	13.0
222.60764	13.0
248.08035	14.8
317.79584	12.7
403.24857	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	403.197
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
50.35229	0.4
55.01866	2.5
57.03445	9.0
58.00589	2.4
59.01376	66.2
60.01704	0.5
60.59594	0.5
61.98826	11.5
69.03455	0.8
69.54081	3.3
71.01376	57.3
71.05019	1.0
72.01731	0.5
72.99306	2.5
73.02940	8.1
74.02482	0.7
75.00859	0.5
81.03487	0.8
83.01395	5.8
83.05013	0.9
85.02948	16.9
85.03464	0.8
87.00883	3.3
89.02441	52.4
93.03464	0.8
95.01389	3.4
95.05030	1.8
96.96001	1.5
97.02941	1.5
97.06635	0.5
99.00873	3.8
99.04519	1.2
99.08170	0.9
101.02434	44.9
102.02772	0.8
102.05585	3.4
109.06602	2.0
111.04524	0.8
112.44049	0.4
113.02443	22.3
113.06123	0.8
114.02792	0.5
119.03500	23.9
121.06638	0.5
123.04546	0.7
123.08167	7.6
124.05299	9.2
124.08499	0.6
125.02435	0.9
125.06105	0.9
126.62885	0.5
128.03511	1.0
129.01973	0.6
130.08792	0.5
131.03514	2.4
135.04514	0.8
135.08162	0.7
136.05299	3.8
137.06073	0.5
137.09729	0.6
139.07643	44.9
140.07968	1.9
141.09204	1.2
143.03488	5.8
143.04626	1.5
143.10768	1.2
147.08163	0.6
149.04538	2.0
149.05690	0.5
149.09721	1.5
151.07635	18.5
151.11275	2.5
152.08003	0.8
153.09219	2.5
159.02991	1.5
161.04546	14.0
161.09686	3.0
162.85532	0.5
163.04039	0.7
163.07607	2.6
163.11288	4.1
164.08429	1.0
165.09206	1.3
169.08704	2.3
173.04514	1.2
175.07658	0.8
177.09233	0.5
179.05617	10.1
179.10767	16.2
180.11006	0.9
181.08754	0.9
187.11232	1.0
190.49951	0.5
191.05684	0.5
193.12306	12.3
203.10825	3.3
205.12337	9.6
206.12547	0.5
211.13406	4.2
221.11772	4.0
222.12141	0.5
223.13379	14.1
224.13768	1.4
241.14433	100.0
242.14783	8.0
272.08966	0.7
306.07651	2.8
403.19693	54.4
404.19992	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	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.49726	0.4
53.41659	0.4
55.01876	1.1
57.03447	8.1
58.00595	3.3
59.01377	100.0
60.01714	1.1
61.98819	2.7
69.55881	3.0
71.01379	45.1
71.05016	1.0
71.41689	0.4
72.01705	0.9
72.99316	3.1
73.02931	2.9
80.33406	0.4
81.03452	0.9
83.01379	2.2
83.05041	0.6
85.02950	9.8
87.00874	2.6
89.02441	57.4
90.02778	0.9
90.17709	0.4
93.03467	0.8
95.01385	3.3
95.05020	0.7
97.02935	1.0
97.06570	0.7
99.00893	0.7
99.04518	0.9
99.08137	0.7
101.02435	30.2
102.05605	0.7
108.88742	0.4
109.06585	1.3
111.00943	0.5
111.04537	0.6
113.02449	20.3
114.02726	0.4
115.51118	0.4
119.03503	29.3
120.03826	0.7
123.04459	0.5
123.08158	6.1
124.05300	7.1
125.02464	0.5
131.03520	2.6
135.08127	0.6
136.05284	3.8
137.06075	0.8
139.07645	34.1
140.07979	1.5
141.09227	0.8
143.03508	4.5
143.10730	0.7
149.04488	2.0
149.09685	1.3
151.06409	0.8
151.07632	15.3
151.11227	2.0
152.07964	0.4
153.09163	1.8
159.03000	0.5
161.04565	6.0
161.09723	2.4
163.07639	1.5
163.11311	2.9
165.09187	1.5
169.08676	2.2
173.04488	0.8
175.07639	1.3
175.11258	0.6
177.09111	0.6
179.05595	8.7
179.10767	13.6
180.11177	1.0
187.11319	0.8
187.62016	0.4
189.09143	0.5
191.05554	0.5
191.87395	0.4
193.12305	8.5
194.12721	0.5
199.96660	0.4
203.10822	2.3
205.12331	6.0
206.12637	1.0
211.13351	3.0
221.11835	3.4
223.13382	12.0
224.13803	1.1
229.10893	0.7
241.14435	71.3
242.14815	4.8
268.08505	0.6
272.05704	0.4
283.10840	0.9
294.20697	1.3
312.21777	0.5
343.13690	0.4
343.23245	0.9
344.24414	5.7
403.19699	61.7
404.20087	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03434	2.6
58.00589	3.4
59.01376	100.0
60.01702	1.7
60.30030	1.2
61.98826	38.2
66.82035	1.0
70.61777	1.0
71.01379	70.8
72.01709	1.3
72.99310	4.6
73.02958	8.4
74.02459	3.3
75.00841	1.1
77.10072	1.2
79.26426	1.2
82.85349	1.2
83.01375	4.7
85.02955	16.3
87.00856	4.6
89.02441	83.4
91.11964	1.2
93.03463	1.4
95.01390	4.8
97.02969	1.1
99.00867	3.3
99.05597	1.5
100.46266	1.2
101.02441	41.9
102.05599	12.2
109.02925	1.9
112.42022	1.1
113.01711	2.2
113.02440	25.6
117.24665	1.3
119.03500	25.6
125.02474	1.4
128.03505	3.6
131.03453	3.1
135.04521	2.9
139.53140	1.5
143.03482	6.4
143.04613	4.4
145.06090	1.4
146.04613	1.8
149.04536	2.1
152.85966	1.0
159.03023	1.6
161.04543	18.0
173.04518	5.7
179.03424	3.9
179.05629	19.4
191.05595	2.3
210.08897	1.8
229.04869	1.5
229.10684	1.2
241.14510	2.7
271.10779	1.7
272.08713	2.1
306.07535	7.1
336.32233	1.5
341.08636	2.6
403.15457	5.6
403.19888	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	403.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	77.4
60.01723	2.9
61.98833	100.0
63.49520	2.7
71.01383	26.8
71.11717	2.7
71.12049	3.9
72.99299	2.3
73.02957	7.0
75.00860	5.9
81.56362	2.3
85.02946	13.1
87.00834	3.0
89.02446	27.0
96.96006	10.4
99.00874	13.8
101.02431	17.1
113.02444	15.0
119.03501	5.8
141.01994	2.7
146.77516	2.5
161.04585	6.2
163.07722	3.0
166.06288	5.3
173.04562	9.4
179.05594	4.8
180.07854	5.1
181.08679	14.4
195.84648	2.8
205.12285	5.1
223.13454	13.3
241.14363	4.0
243.67540	2.7
251.09077	3.6
294.18005	2.6
313.12851	4.1
340.10376	3.1
343.11023	3.2
361.17883	2.8
367.15900	11.9
403.16367	31.8
404.15836	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15751	0.6
54.17258	0.6
58.46428	0.5
59.01382	100.0
59.04188	0.6
60.01717	1.0
61.98833	10.5
63.01043	0.6
65.46707	0.5
66.38519	0.6
69.36629	0.6
70.69624	1.0
70.69949	0.8
71.01384	6.3
73.02962	2.0
85.02957	2.4
89.02463	1.9
94.63046	0.6
96.96021	1.9
101.02437	3.2
113.02493	2.2
121.02996	2.2
135.04649	0.8
159.02983	0.9
161.04576	7.0
166.06349	11.9
167.06638	0.6
181.08717	15.8
181.10260	0.8
191.82790	0.6
211.72308	0.7
229.10756	0.7
235.68390	0.5
271.57285	0.6
367.16025	1.5
403.13568	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.5
69.70115	17.0
71.01391	4.9
85.03010	4.9
87.00894	23.9
93.03449	10.5
96.96027	7.6
98.20687	3.8
111.04553	4.1
147.02930	4.3
173.04562	15.3
183.13855	5.2
191.05649	7.8
211.13376	100.0
212.13760	8.1
213.15016	17.3
223.13379	5.1
235.13289	3.8
241.14487	34.9
242.14841	5.7
251.12958	34.5
253.14359	8.3
259.13358	6.6
263.12970	7.7
269.14023	5.7
277.14471	7.8
305.13882	8.3
319.33249	3.4
323.15002	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	403.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.8
59.01376	21.2
59.38925	0.8
61.98827	11.6
66.32988	0.7
67.01904	0.7
70.95602	1.5
70.95977	0.7
71.01377	12.0
72.99321	1.3
83.01386	1.5
85.02948	2.8
87.00859	1.1
89.02438	12.4
90.12193	0.6
95.01379	3.1
96.95995	1.7
101.02438	8.3
108.26210	0.8
109.02940	1.3
111.00871	2.8
113.02449	4.0
119.02720	1.1
119.03486	6.1
121.02954	1.0
123.00887	13.5
127.00366	2.7
136.98741	1.8
137.02400	2.4
138.03210	6.6
139.00346	7.8
148.05269	1.4
149.02380	1.0
151.00400	1.0
151.03735	0.5
152.01079	1.1
152.04726	1.5
153.01959	0.8
153.05571	2.0
154.02635	0.7
161.04538	1.1
162.03322	1.0
163.04028	1.2
163.07668	0.8
165.01895	9.2
166.02631	0.7
167.03455	1.7
169.97398	0.8
173.04614	1.1
177.05476	0.9
178.02542	1.0
179.03467	1.5
179.05608	1.5
180.04286	5.8
191.05621	0.9
193.01396	20.0
194.01929	1.2
195.06613	2.0
207.02963	2.1
208.03743	40.7
209.04028	2.3
223.06090	100.0
224.06461	6.5
251.05600	1.8
328.51508	0.7
371.09763	2.1
403.12140	8.9
403.20718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01710	0.7
69.21250	5.9
84.28120	0.6
91.77097	0.6
96.73286	0.6
100.04847	0.6
121.02972	0.8
165.50429	0.6
181.18245	0.7
313.85315	0.7
406.25504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	7.4
61.78136	2.7
61.98827	100.0
69.69775	12.6
78.23975	2.3
163.11275	4.9
215.59232	2.7
246.58401	2.5
267.81750	2.4
291.59509	2.4
314.22803	2.6
339.23312	6.7
353.46075	2.6
384.88339	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	402.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00139	0.7
54.17764	0.5
59.01376	100.0
60.01701	0.7
61.98820	1.3
67.01870	0.7
69.87189	0.5
69.97908	1.7
71.01385	3.7
72.99345	0.5
73.02944	1.2
75.00842	0.6
75.72684	0.6
85.02969	1.7
89.02444	2.2
89.26271	0.5
93.03462	3.0
97.06606	0.9
98.02484	0.7
111.04549	1.4
115.07639	0.8
119.05060	2.3
133.02893	0.6
135.04520	0.6
161.04655	0.8
163.03961	3.2
173.04530	9.7
174.04951	2.1
179.05740	0.7
191.05568	3.6
193.71857	0.6
202.06369	0.6
229.10942	0.6
237.57950	0.8
253.18158	0.7
261.99210	0.6
275.09372	1.9
276.19662	0.7
292.19278	3.2
310.20395	1.9
342.11548	1.0
342.22815	23.2
343.23334	2.4
372.13901	0.8
402.14954	1.5
403.15802	1.2
418.42181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65937	1.2
59.01378	28.6
65.03963	8.4
71.01363	2.6
78.67269	1.3
78.95898	5.1
85.02975	1.4
87.00864	7.2
89.02470	1.5
91.05537	3.4
96.95997	1.5
97.06588	1.3
101.02437	2.4
121.02968	9.7
125.09714	9.2
133.10258	1.9
139.44620	1.4
167.95401	1.4
184.00169	3.4
187.14938	18.1
213.12904	4.5
231.13898	29.5
232.14209	2.3
243.99156	1.3
244.11310	1.8
248.07870	1.4
287.47449	1.4
313.07294	2.5
339.23553	1.9
341.10928	2.1
354.81192	1.3
383.22186	5.0
401.08829	4.3
401.23315	100.0
402.23669	12.5
419.91769	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	401.2332
Annotation	Macrolactin G
Peak:m/z	Relative Intensity
50.90742	0.8
59.01380	36.6
61.98825	1.8
65.03962	6.6
71.01387	2.9
78.95885	1.2
81.51273	1.0
85.45812	1.1
89.02435	2.1
89.11511	1.1
91.05524	2.8
97.06560	2.2
101.02461	2.0
105.07098	2.4
121.02959	9.1
123.08098	1.0
125.09718	9.9
133.10225	2.4
155.28975	1.0
159.11826	1.3
160.18694	1.0
185.09775	1.6
187.14920	17.5
188.15277	1.2
206.63062	1.2
213.12868	3.1
231.13893	31.5
232.14185	1.0
301.03067	1.2
313.07086	2.9
339.23273	2.3
341.11093	2.3
357.24335	1.4
383.22250	4.1
401.08902	2.6
401.23309	100.0
402.23596	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	401.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92469	0.7
57.03442	1.2
59.01375	26.4
61.98829	2.6
65.03960	5.8
71.01391	1.8
71.56686	1.2
78.95885	1.5
89.02440	1.5
91.05536	3.1
97.06578	2.5
101.02432	1.2
105.07084	2.1
115.45465	0.9
119.08660	1.1
121.02927	7.6
123.08157	1.2
124.99911	0.7
125.09708	9.4
131.08667	0.9
133.10170	1.1
153.09175	1.0
159.08020	0.9
159.11769	1.0
185.09596	1.1
186.58672	0.8
187.14914	19.5
188.15160	1.2
197.35710	0.8
204.98801	0.8
213.12811	2.9
231.11577	1.6
231.13890	28.2
232.14323	1.6
279.85233	0.9
287.01480	1.0
289.68912	1.0
299.58356	0.7
313.07260	1.1
339.23300	1.8
341.10760	2.4
357.24136	1.3
383.22290	4.1
385.71631	0.9
395.75668	0.7
401.23273	100.0
402.23648	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55953	0.6
55.01877	1.1
57.03446	21.1
58.00583	1.7
58.88770	0.7
59.01377	72.0
61.98830	26.7
68.90446	0.8
69.03454	2.2
70.67618	2.1
71.01378	44.8
72.99300	2.0
73.02944	7.7
75.00880	5.3
77.61032	0.7
81.03452	1.3
83.01379	2.8
83.05025	2.2
84.02162	0.7
85.02953	16.4
87.00869	3.4
87.20275	0.7
89.02441	31.3
89.69576	0.8
93.03448	4.0
95.01381	2.9
95.05020	2.1
96.95983	0.8
97.02954	0.8
97.06541	0.8
99.00877	4.0
99.04589	0.9
101.02438	24.6
102.02758	1.1
105.09901	0.8
107.05022	0.7
108.02199	0.8
109.02950	2.3
109.06588	0.9
113.02441	18.9
119.03496	10.4
119.04982	1.9
119.08715	0.8
120.05797	0.9
121.06583	1.8
123.04516	2.7
123.08150	9.6
123.82077	0.8
125.02420	0.7
127.04018	0.8
129.01939	0.8
129.06686	1.0
131.03496	1.4
135.04517	9.0
135.08113	2.7
137.71388	0.8
139.07634	2.0
143.03490	3.3
145.06580	0.9
147.04454	1.5
148.05310	2.9
149.04503	1.1
149.09671	0.8
151.07645	28.0
151.11317	1.6
152.07974	0.9
153.01888	1.1
153.03029	1.7
153.29248	0.7
155.03510	0.8
159.02991	2.5
159.04387	1.0
159.08157	1.1
160.08961	2.1
161.04564	12.6
161.09698	9.6
163.03984	1.1
163.07646	20.4
164.08047	1.3
165.09203	8.5
168.07910	2.6
173.04530	7.4
173.06039	1.8
173.09694	3.3
174.04848	1.8
175.02402	0.9
175.07593	1.3
175.11343	1.4
177.09196	6.8
179.05598	7.0
179.10776	16.5
180.11086	1.3
187.04111	0.9
187.07625	2.2
188.08424	9.5
191.05574	3.4
191.10683	0.8
193.12245	1.0
203.10765	65.3
204.11064	5.6
219.10295	0.8
221.08292	2.5
221.11813	100.0
222.12154	7.4
239.09216	2.0
239.12743	0.8
278.03873	1.0
338.06024	0.9
341.10785	12.3
342.11096	1.0
357.17899	1.1
381.92276	0.9
383.17300	0.8
401.18738	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	401.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01699	3.8
61.98812	6.4
63.91452	1.7
71.01367	4.4
71.04992	2.2
71.55779	1.9
79.95742	8.7
80.96531	9.6
83.91299	1.8
89.02447	6.5
96.96012	4.0
99.46236	1.8
101.02432	3.4
113.02502	1.8
121.02961	20.9
124.45084	1.7
163.49400	1.6
179.05626	3.1
181.06554	1.7
181.10773	2.1
217.79279	1.7
230.45193	1.8
277.69287	1.9
313.07132	7.4
341.10876	7.8
357.06207	2.2
401.08731	7.2
401.16245	13.1
401.23068	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	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01369	2.2
69.85018	3.8
71.01373	2.7
81.03460	1.0
83.05035	1.4
85.02944	2.8
85.58018	0.7
87.00875	1.1
90.45739	0.7
93.03459	7.8
99.00815	0.7
111.04510	6.3
111.08134	1.5
112.98802	2.6
127.04025	1.2
135.04486	0.8
137.02420	1.2
142.59624	0.7
142.99875	2.3
155.03516	6.8
165.12837	26.0
166.13210	2.1
169.52768	0.6
173.00917	2.0
173.04547	20.8
174.04893	1.1
179.03386	0.9
183.13892	100.0
184.14240	5.0
191.05597	27.0
192.05876	0.8
209.11795	3.6
227.12877	82.2
228.13248	5.2
236.67462	0.7
401.18121	36.3
402.18509	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01373	2.2
60.99310	0.4
65.03984	0.3
67.01888	4.6
67.81963	0.3
69.03455	0.9
70.10128	1.3
71.01380	3.4
79.44141	0.3
81.03445	1.0
83.05007	0.9
85.02947	0.5
89.20114	0.3
93.03452	28.0
94.03795	0.7
95.81572	0.3
101.02454	0.3
109.02931	1.2
111.00871	0.7
111.04518	7.0
113.02409	0.5
113.36747	0.3
123.38349	0.3
127.03986	0.8
133.02931	0.4
135.04524	0.3
137.02448	6.0
155.03497	5.2
165.12837	5.6
173.04533	100.0
174.04855	3.5
179.03488	0.5
183.13889	18.8
184.14197	0.5
191.05615	3.5
209.11821	0.3
227.12860	18.9
228.13150	0.9
266.86398	0.3
309.75443	0.3
401.18121	17.0
402.18329	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	401.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	3.4
59.01376	100.0
60.01705	2.6
60.56631	2.6
61.98835	17.1
64.47038	2.5
67.01882	3.1
71.01379	46.4
71.53668	2.6
71.55324	4.1
72.99295	4.1
73.02930	5.7
74.02473	4.3
75.00880	2.8
85.02949	12.7
87.00875	7.3
88.04033	7.2
89.02438	57.4
93.03423	4.0
96.95995	4.9
101.02438	25.5
113.02457	17.7
115.00327	2.6
119.03493	22.2
119.05032	4.5
135.04504	7.2
141.01740	4.9
143.03453	3.6
146.03703	4.4
148.60451	2.4
153.09164	3.3
161.04523	7.3
162.83110	2.8
163.03999	7.2
164.04457	3.0
173.04547	12.2
179.05579	20.9
179.07120	13.2
191.05557	12.5
221.11798	3.9
267.18283	3.8
285.19135	3.0
316.36728	2.9
341.10855	49.0
342.11319	2.7
357.21484	5.2
359.25433	4.1
365.18121	9.3
366.16806	4.1
371.08765	2.6
401.10648	5.7
401.15594	31.9
401.20450	6.1
401.26254	10.7
405.65146	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03448	21.3
58.00589	1.4
59.01381	71.9
60.01699	1.0
61.98829	12.4
69.03445	1.4
69.51328	0.7
70.22939	0.7
70.23488	1.7
70.23856	1.9
71.01383	45.4
71.09987	0.8
72.99294	2.3
73.02956	6.7
73.96104	0.7
74.44661	0.8
75.00878	8.6
81.03407	0.8
83.01400	2.7
83.05045	2.8
85.02950	19.0
86.48660	0.8
87.00867	4.7
88.03981	1.0
88.32634	0.8
89.02448	32.7
93.03454	3.0
95.01377	3.2
95.05013	1.8
96.95990	1.1
98.20607	1.1
99.00867	3.5
101.02442	26.1
101.50588	0.8
107.05021	0.9
108.02179	1.4
109.02924	3.0
111.04556	1.6
113.02453	20.5
116.07177	1.2
119.03511	12.5
119.04972	1.5
119.08694	2.1
121.06628	1.5
123.04523	3.1
123.08164	8.6
125.02456	1.1
128.03513	0.9
131.03490	0.8
133.06511	1.0
135.04526	9.5
135.08147	3.8
137.02318	1.1
139.07625	1.9
141.09236	1.2
143.03481	3.4
148.05266	3.0
149.04535	1.3
151.07654	25.9
151.11337	1.3
153.03052	2.0
155.03459	1.8
159.02988	2.5
160.08881	2.0
161.04555	11.2
161.09727	9.7
163.04002	2.4
163.07652	20.5
164.08258	1.2
165.09192	9.0
168.07901	2.6
173.04552	10.3
173.09674	2.4
174.04782	1.0
177.09210	6.6
179.05591	8.0
179.07040	1.8
179.10776	18.6
184.52710	0.9
187.07600	2.6
188.08406	8.7
189.08948	1.0
191.05598	7.5
193.12251	1.0
195.04089	1.9
202.10008	1.0
203.10776	66.8
204.11096	3.9
221.11821	100.0
222.12160	6.3
227.12843	1.1
239.09134	2.1
306.84390	1.1
338.09354	0.9
341.10828	21.7
359.73782	0.9
401.14359	1.9
401.19437	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31145	1.5
58.00614	1.9
59.01383	61.6
69.28130	13.5
69.28535	4.1
71.01382	36.1
79.74813	2.0
85.02972	4.7
86.62784	1.7
87.00877	5.4
89.02446	60.1
101.02448	23.3
103.94228	1.5
113.02464	13.8
117.21005	1.6
119.03512	19.0
131.03539	2.0
137.30696	2.1
143.03540	3.3
161.04590	6.5
165.63437	1.9
179.05623	23.2
179.07056	3.3
191.05598	5.6
239.26245	2.1
341.10876	100.0
342.11090	10.5
401.10876	4.3
407.12866	1.7
407.77798	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	401.145
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.13329	0.3
55.01874	4.7
57.03446	3.7
58.00584	1.0
59.01375	26.9
65.44342	0.4
68.76637	0.4
69.03454	0.7
70.70728	0.7
70.71108	0.8
71.01377	53.8
72.01719	0.7
72.99303	1.2
73.02942	18.3
75.00877	0.7
83.01381	9.1
84.02184	0.5
85.02944	25.7
85.47680	0.3
85.67944	0.3
86.00111	0.4
86.06522	0.4
87.00862	2.1
88.53686	0.4
89.02440	6.8
95.01385	3.3
97.02976	2.1
99.00877	8.4
101.02437	44.6
102.02789	0.8
107.05056	0.6
111.00881	0.5
113.02444	21.3
114.02752	0.6
125.02440	3.1
129.01942	1.4
131.03491	1.3
132.94945	0.4
143.03496	3.5
146.26590	0.4
149.04521	1.1
159.03008	5.3
161.04546	42.1
162.04863	1.1
166.59944	0.4
173.04544	0.9
191.05666	0.6
205.03487	0.7
233.06630	0.6
269.10284	100.0
270.10635	6.7
301.18991	0.4
313.09204	0.6
328.90393	0.4
341.11115	0.6
401.14514	13.6
402.14899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.4
69.16337	6.4
71.01354	1.4
77.20330	0.6
89.02430	1.3
93.36180	0.7
101.02438	0.9
105.58952	0.6
113.02422	0.8
115.02530	2.0
117.00446	8.6
119.60989	0.6
132.98355	0.9
141.00427	1.6
156.51038	0.7
159.01469	13.2
159.25259	0.7
174.99474	7.9
175.99603	1.5
176.98164	3.2
179.05582	1.5
198.02599	0.8
198.91911	1.4
198.99492	7.1
201.02579	4.1
215.02609	1.0
217.00522	23.9
217.02635	1.3
218.00600	2.4
228.71510	0.6
231.00694	1.1
232.98499	2.7
241.00523	6.4
242.00656	1.5
259.01563	34.2
260.01791	4.5
273.01733	5.2
274.01749	1.1
274.99588	22.3
275.99634	4.9
283.01489	0.9
298.99658	3.7
315.02713	6.8
316.02985	1.5
317.00626	52.6
318.00708	11.8
318.99231	0.7
341.00494	2.0
341.11038	3.3
342.00769	1.0
357.03644	5.6
358.03763	0.9
359.01694	45.8
360.01810	10.2
383.01947	2.9
384.02292	1.0
401.02722	100.0
402.02878	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26183	1.3
59.01381	16.2
62.12165	1.3
68.03385	1.4
68.99818	1.9
70.87010	1.9
70.87351	3.0
71.01376	12.9
73.02943	6.0
85.02953	5.9
87.00873	46.6
89.02437	11.8
95.01380	1.8
99.00887	1.9
101.02450	7.0
109.78161	1.2
113.02436	5.2
119.03487	3.3
121.02937	1.5
123.00899	3.4
135.04514	2.3
138.03230	2.6
144.19252	1.3
148.94159	1.6
149.02440	1.6
151.00414	2.0
153.05553	2.3
158.24350	1.5
159.04482	1.7
161.02457	5.8
163.04007	16.4
163.20245	1.3
164.04784	13.6
165.05569	4.2
166.02692	5.4
173.02454	1.9
175.04063	3.2
176.04787	11.3
177.01950	3.1
178.06343	14.0
179.03511	7.6
179.05585	5.5
179.07100	27.5
181.05022	7.7
187.03920	1.9
190.02716	2.2
191.03523	14.4
191.07114	5.2
192.04137	2.3
193.01456	1.3
193.05128	6.4
193.08757	2.8
194.05804	7.4
202.06313	2.5
203.03500	5.1
204.04109	2.5
205.04999	7.4
206.05779	5.8
207.06599	2.2
208.07550	1.9
209.08105	8.7
218.05832	2.7
219.02988	3.2
220.03741	2.7
221.04491	5.2
221.08154	6.9
222.05321	1.9
231.03041	2.3
234.05280	4.5
236.06781	2.3
237.07634	3.5
238.04912	1.9
247.02452	6.0
247.06215	3.3
249.07701	4.2
251.09192	4.1
262.04865	9.0
265.07162	53.3
266.07431	3.1
277.07181	25.0
278.65155	1.3
291.08755	1.7
295.08209	63.2
296.08615	7.3
325.09305	2.0
337.09164	2.0
341.10880	16.1
355.10336	16.4
356.10938	1.6
383.09686	7.9
384.10501	1.5
401.10867	100.0
402.11142	10.6
406.29575	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	400.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16195	1.1
55.80505	1.0
59.01373	14.2
61.98826	15.7
66.79955	1.0
67.01887	2.3
70.18666	1.1
71.01372	6.0
73.04079	2.3
74.02451	2.2
83.05019	1.3
85.02951	4.4
87.00899	1.8
89.02451	2.7
93.03447	16.6
94.03809	1.1
96.91534	1.1
98.02483	1.4
98.20642	3.7
99.72958	1.0
101.02462	2.3
109.02975	2.0
111.04517	5.1
113.02431	2.5
119.03459	1.6
119.05023	12.9
130.08728	1.5
137.02405	2.2
153.01982	1.6
153.03082	4.2
155.03482	3.2
155.72353	1.2
155.91559	1.0
163.03998	11.4
173.04536	100.0
174.04852	4.4
177.05563	1.5
177.09254	2.4
191.05579	22.3
192.05956	1.9
195.04129	2.9
210.37173	1.2
221.11842	2.1
227.12854	1.5
228.70837	1.1
236.68738	1.0
239.09254	1.6
291.08813	1.8
297.81165	1.2
309.14560	2.6
337.09244	27.8
338.09705	1.6
341.10709	5.8
357.17776	4.7
383.19327	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01107	0.7
59.01382	8.6
60.99303	0.4
67.01894	4.0
69.03438	0.9
71.01382	3.0
71.55508	0.6
73.02950	1.8
81.03452	1.1
83.05032	0.5
85.02952	0.5
87.00871	0.6
93.03460	25.0
94.03796	1.2
97.26340	0.4
105.67268	0.4
109.02954	0.5
111.00883	0.9
111.04533	5.2
113.02479	0.5
133.02962	0.5
135.04544	0.4
137.02449	5.2
155.03496	5.4
163.11269	0.9
173.04549	100.0
174.04869	4.2
181.12343	12.7
182.12718	0.4
191.05635	1.8
196.59119	0.3
211.13440	0.4
225.11314	4.5
291.14713	0.4
357.25073	0.4
399.16550	11.6
400.17130	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01107	0.7
59.01382	8.6
60.99303	0.4
67.01894	4.0
69.03438	0.9
71.01382	3.0
71.55508	0.6
73.02950	1.8
81.03452	1.1
83.05032	0.5
85.02952	0.5
87.00871	0.6
93.03460	25.0
94.03796	1.2
97.26340	0.4
105.67268	0.4
109.02954	0.5
111.00883	0.9
111.04533	5.2
113.02479	0.5
133.02962	0.5
135.04544	0.4
137.02449	5.2
155.03496	5.4
163.11269	0.9
173.04549	100.0
174.04869	4.2
181.12343	12.7
182.12718	0.4
191.05635	1.8
196.59119	0.3
211.13440	0.4
225.11314	4.5
291.14713	0.4
357.25073	0.4
399.16550	11.6
400.17130	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01107	0.7
59.01382	8.6
60.99303	0.4
67.01894	4.0
69.03438	0.9
71.01382	3.0
71.55508	0.6
73.02950	1.8
81.03452	1.1
83.05032	0.5
85.02952	0.5
87.00871	0.6
93.03460	25.0
94.03796	1.2
97.26340	0.4
105.67268	0.4
109.02954	0.5
111.00883	0.9
111.04533	5.2
113.02479	0.5
133.02962	0.5
135.04544	0.4
137.02449	5.2
155.03496	5.4
163.11269	0.9
173.04549	100.0
174.04869	4.2
181.12343	12.7
182.12718	0.4
191.05635	1.8
196.59119	0.3
211.13440	0.4
225.11314	4.5
291.14713	0.4
357.25073	0.4
399.16550	11.6
400.17130	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01375	11.1
61.98830	2.5
63.33558	1.3
63.70091	1.3
68.59643	1.5
71.01382	7.7
71.56299	2.9
72.99303	4.2
73.02967	1.7
83.01381	3.9
87.00871	3.1
89.02467	2.6
95.05033	2.4
96.96024	1.7
97.06605	1.4
99.00884	5.4
101.02441	2.0
107.78188	1.5
111.00848	2.5
112.98809	14.5
113.02431	2.2
115.00393	2.9
127.07647	2.2
142.99854	8.5
171.10268	2.3
173.00888	6.8
173.04495	4.2
174.01698	100.0
175.02332	5.0
191.05623	4.1
197.11743	1.7
205.12332	2.1
209.11859	4.6
213.49411	1.6
237.15004	2.4
255.02968	5.4
281.14035	1.9
284.02853	1.8
289.17950	1.7
307.19177	9.3
315.57852	1.5
325.20129	10.3
339.04498	1.7
381.09903	3.4
399.10751	4.6
399.23737	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.00592	0.8
59.01367	4.7
61.98811	1.2
67.72597	0.8
70.84209	1.7
70.84582	1.4
71.01378	5.3
72.99298	1.8
73.02917	1.2
83.01388	3.2
85.02954	1.0
87.00851	1.5
87.57935	0.6
91.79933	0.7
93.03478	0.9
97.06574	1.1
99.00877	5.6
111.00864	3.6
112.04996	0.8
112.98808	16.1
115.00368	3.1
132.93767	0.7
142.99867	9.0
173.00900	5.4
173.04649	0.9
174.01683	100.0
175.02237	6.7
177.12828	1.0
205.12267	3.0
219.14101	1.0
277.14502	1.1
281.13974	2.0
287.77518	0.7
295.15521	1.3
321.13348	1.0
339.14377	0.9
341.54959	0.9
342.62198	0.8
379.29681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
57.03444	2.0
58.00590	1.2
59.01380	33.5
61.98819	2.2
62.91611	0.8
69.03463	1.3
71.01383	40.1
71.05035	0.8
71.31336	0.7
72.01743	0.7
72.99290	2.0
73.02945	11.4
75.00875	1.6
79.90423	0.9
83.01381	6.6
85.02950	19.5
87.00874	3.2
89.02454	16.0
91.83601	0.9
93.03458	3.9
95.01388	3.4
97.02932	1.0
99.00887	6.1
101.02444	38.3
111.00889	0.8
111.04536	1.1
113.02449	18.1
117.03445	0.8
119.03509	5.2
119.35477	0.8
121.02972	9.0
123.30942	0.7
125.02444	1.1
129.01927	0.8
134.31555	0.8
135.04549	1.9
143.03474	2.8
155.03539	1.1
159.03000	3.9
161.04558	26.8
162.05026	1.0
171.10300	1.9
173.04544	8.1
179.03535	1.6
191.05634	9.9
251.11351	100.0
252.11655	6.2
275.46753	0.7
286.00723	0.8
332.50421	0.7
399.12857	11.3
400.13504	1.4
404.08646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32937	0.3
57.03428	0.7
59.01369	2.2
60.99290	0.4
64.23168	0.3
67.01885	4.8
69.03425	0.9
69.31531	0.2
69.36187	1.9
71.01385	3.2
71.29237	0.2
77.38535	0.3
77.47899	0.3
81.03445	0.7
83.05038	0.8
85.02946	2.0
87.00873	0.9
93.03455	24.3
94.03784	0.6
99.04536	0.3
109.02927	1.0
111.00858	0.9
111.04510	4.6
113.02447	0.6
125.11849	0.2
127.04014	0.3
133.10243	0.3
135.11780	1.6
137.02432	4.1
155.03493	4.8
173.04532	100.0
174.04887	4.1
179.10759	9.0
180.11127	0.6
191.05600	11.9
192.05890	0.5
223.09790	2.0
334.01556	0.3
348.36575	0.3
353.16016	0.6
397.15002	8.2
398.15530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27960	0.4
59.01379	100.0
60.01714	0.9
61.61261	0.4
61.98836	4.1
63.53679	0.3
66.34444	0.4
69.71439	1.5
69.71859	1.0
71.01383	5.4
72.99312	0.6
73.02950	1.1
75.00883	0.9
76.03085	0.3
83.01413	1.3
85.02959	3.0
87.22666	0.4
89.02461	1.7
93.03460	1.2
95.01387	0.5
96.96008	2.9
97.71666	0.3
99.00895	0.8
101.02422	5.0
108.02209	0.6
111.00859	3.8
111.04537	0.6
113.02448	1.9
116.51307	0.4
119.03549	0.7
119.05021	6.6
120.05362	0.8
129.01991	0.7
133.06569	0.4
135.04533	3.5
137.06093	3.2
145.03009	1.4
155.03542	0.8
155.42039	0.4
161.04514	2.5
163.04012	11.9
165.04463	0.4
173.04541	1.9
173.05920	0.4
175.03941	0.4
177.01912	1.2
179.03548	2.6
179.05634	0.5
181.05016	0.7
185.02235	1.5
191.05615	3.1
191.07162	0.6
223.02472	2.6
223.06104	0.5
235.06139	0.9
235.11969	2.8
265.13083	0.9
295.14096	1.0
337.09409	1.7
337.15100	0.7
359.07404	5.9
361.07855	0.5
361.11694	1.0
395.20432	0.4
397.04453	1.0
397.11746	1.3
397.17242	2.8
398.11813	0.5
398.17722	0.5
422.04462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01384	1.8
60.99297	0.7
67.01888	4.2
69.03452	1.2
69.65858	0.4
69.66270	1.2
71.01375	2.8
81.03453	0.7
83.05016	0.9
85.02948	0.7
87.00885	0.7
87.67056	0.3
93.03461	27.4
94.03790	1.0
109.02961	0.9
111.00865	1.1
111.04512	4.9
113.02454	0.4
127.03972	0.5
134.89923	0.3
135.11818	1.9
136.65923	0.3
137.02460	4.2
155.03499	4.6
155.04724	0.4
173.04546	100.0
174.04901	3.5
179.10774	8.9
180.11041	0.5
191.05609	3.5
223.09798	3.4
333.00296	0.5
334.01199	1.3
397.15024	9.6
398.15421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49503	0.3
57.03443	0.9
59.01375	2.3
60.99289	0.6
61.98843	0.3
67.01884	4.1
69.03454	0.9
69.18179	3.9
71.01378	3.4
73.02951	0.3
73.39723	0.4
78.37909	0.4
81.03459	0.9
83.05027	1.3
85.02940	1.3
87.00860	0.5
93.03452	27.5
94.03789	0.6
98.19868	0.8
99.00890	0.4
103.22566	0.4
109.02926	0.9
111.00890	1.4
111.04508	5.0
135.11815	1.7
137.02446	4.7
155.03496	4.7
171.66437	0.4
173.04543	100.0
174.04904	3.8
179.10754	8.5
180.11101	0.9
191.05600	5.6
223.09741	2.6
283.67691	0.4
334.01105	0.6
353.16391	0.4
397.14911	5.8
398.15451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20476	6.7
58.07828	7.5
58.60549	6.7
59.01377	32.8
60.07194	7.0
61.98831	21.2
69.41322	26.0
69.41750	29.5
71.01387	9.5
84.72778	7.3
91.57140	6.7
96.96964	12.2
98.20720	11.6
120.82584	6.8
158.01904	8.1
173.04611	12.7
190.38986	7.6
191.05626	18.3
220.28389	8.0
396.21472	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	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06399	0.8
57.03440	1.0
59.01375	2.2
67.01881	1.0
69.43584	6.1
71.01380	1.5
74.32564	0.7
78.95859	0.9
81.03451	1.1
83.05021	2.7
85.02943	1.6
86.58677	0.7
87.00862	0.8
93.03456	7.6
98.20647	1.6
111.04516	8.5
117.25886	0.9
127.04027	1.8
129.01881	0.9
133.10271	1.4
135.11810	18.1
137.02435	1.5
140.69481	0.8
155.03522	9.1
161.09776	1.9
173.04555	23.3
174.04816	1.4
179.10776	100.0
180.11073	5.7
191.05592	4.3
223.09756	49.6
223.21049	0.8
224.10045	3.7
246.70972	0.7
334.01227	1.8
376.67841	1.0
397.14993	43.1
398.15265	5.8
404.14929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97212	0.3
64.03522	0.4
70.31051	1.0
70.31404	0.4
78.95899	3.6
79.16946	0.3
81.89158	0.3
87.35113	0.3
93.19732	0.3
110.98517	2.4
152.99562	0.5
162.91252	0.3
167.01132	1.1
185.02193	3.2
227.20148	100.0
228.20476	7.4
228.70621	0.5
284.32343	0.4
374.63150	0.3
395.21979	7.0
396.22427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21703	0.4
59.01377	1.9
60.48182	0.5
61.98831	0.5
63.73989	0.4
66.70870	0.5
69.59428	3.0
71.01388	0.8
72.69878	0.4
72.70280	0.5
88.82674	0.4
90.27734	0.5
96.35075	0.4
104.87041	0.5
117.01971	0.7
118.77451	0.4
135.02963	0.6
173.09445	0.6
277.21698	100.0
278.22028	10.0
287.46066	0.5
359.08505	0.5
395.24420	2.0
396.24625	0.8
419.61340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	53.9
69.53961	11.2
69.54367	20.9
73.67166	5.8
80.54588	5.3
85.02927	8.1
88.33348	4.9
96.95964	5.9
98.19940	12.5
106.54882	4.5
118.23246	4.4
124.04005	7.4
147.04402	6.8
173.04552	10.0
191.05658	9.4
335.82776	6.1
396.15839	50.1
396.21378	64.9
396.66037	17.0
397.21613	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	395.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98815	0.7
71.01374	0.5
71.55448	0.5
78.95910	0.5
79.95740	2.4
81.05462	0.3
92.24143	0.3
93.03484	0.6
96.96008	100.0
97.06578	0.3
97.95966	0.3
171.10272	0.4
173.04535	1.0
176.03856	0.4
177.39787	0.4
183.13860	1.0
191.05536	1.2
201.11311	1.0
229.10742	0.7
380.67819	0.4
384.20557	0.4
395.21039	45.4
396.21359	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	395.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83833	0.3
58.02965	0.4
59.01380	100.0
60.01723	1.2
61.98833	3.6
71.01381	2.0
71.55623	0.4
73.02940	0.4
85.02947	0.7
89.02428	0.7
93.03484	0.6
101.02459	1.2
106.04248	0.5
113.02472	0.8
122.38142	0.3
124.04076	0.5
147.04538	0.5
149.06123	0.3
152.70917	0.3
159.04535	0.4
160.01724	0.4
161.04559	0.6
161.09779	1.3
165.93335	0.3
173.04626	1.2
175.04057	0.4
177.05574	0.4
191.05669	1.2
203.03609	0.5
217.08745	0.4
232.09572	0.4
235.06168	0.4
293.16217	0.9
305.16101	0.4
335.17169	1.3
373.39651	0.4
395.18481	0.5
396.15817	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	395.192
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01879	3.5
57.03444	2.0
58.00583	1.1
59.01375	24.0
60.01704	0.2
61.98824	1.3
67.01848	0.3
68.99803	0.3
69.03457	0.6
69.29654	2.2
71.01377	34.0
72.01717	0.6
72.99302	1.7
73.02941	14.2
75.00868	0.8
78.95907	0.3
81.03454	0.5
83.01382	8.9
84.02158	0.3
85.02948	19.9
86.00089	1.1
86.03308	0.5
87.00876	1.8
89.02435	4.8
89.73859	0.2
93.03439	0.5
94.26085	0.2
95.01386	2.7
96.95987	0.6
97.02938	1.3
97.06578	0.2
98.20692	0.4
99.00877	7.2
99.08134	0.7
101.02438	38.1
101.09724	0.5
102.02804	0.4
107.13035	0.3
111.00868	1.0
111.04490	0.2
113.02445	14.6
114.02810	0.3
119.03491	0.4
124.01556	1.2
125.02454	1.5
129.01917	1.2
131.03500	1.2
135.04565	0.3
143.03503	1.5
149.04526	0.4
159.02979	3.0
161.04544	16.5
162.04887	0.5
163.11259	0.3
167.02092	6.1
167.03490	0.4
171.10240	1.0
173.04555	3.0
191.05623	0.8
205.03435	0.5
209.11801	2.1
219.27226	0.2
227.12669	0.6
233.06557	0.3
263.14972	100.0
264.15323	5.8
300.12436	0.3
307.14056	0.7
314.04770	0.2
318.13422	0.4
331.44312	0.2
351.65979	0.3
395.14801	0.8
395.19189	14.9
396.20221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87866	0.3
54.28736	0.2
59.01393	0.9
61.98832	100.0
64.87493	0.2
71.55883	0.4
84.44750	0.2
97.02991	0.3
114.97083	0.2
188.86916	0.3
283.02469	0.3
291.19763	0.6
294.20660	0.3
309.20816	1.0
319.62509	0.3
394.18384	4.9
395.18790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	63.6
61.29877	3.3
61.98838	5.1
63.07732	3.1
68.99809	4.1
69.58974	5.9
69.59388	20.5
71.01372	13.7
73.02937	5.3
83.01376	5.9
85.02917	5.1
99.00873	36.6
101.02431	6.9
108.02159	9.0
111.00893	6.8
123.04515	4.9
125.02431	6.3
132.02141	7.2
134.03741	19.4
135.04521	5.0
137.02461	3.8
141.01965	7.0
145.02936	9.4
146.03720	21.6
147.04466	11.0
148.01656	6.1
148.05278	15.9
149.06039	15.6
158.03671	5.8
159.04485	19.7
160.01660	25.4
160.05313	27.4
161.02385	13.5
161.05995	20.4
162.03192	61.2
163.03983	23.6
163.07628	7.9
164.04730	9.8
165.05481	3.8
171.04456	6.1
172.05267	15.7
173.06038	31.8
174.03197	10.2
175.03970	44.7
175.07588	7.7
176.04697	18.5
177.04083	7.0
177.05560	100.0
178.06204	11.7
179.07047	3.8
181.38596	3.4
184.05251	9.4
185.06081	13.7
186.03117	7.1
186.06824	5.0
187.03928	19.3
188.04770	70.3
189.05540	19.1
190.02747	22.5
190.06294	11.8
191.03403	6.9
191.07172	8.4
192.04034	3.9
193.05086	4.5
193.08653	5.4
201.05521	9.0
202.06302	22.4
203.03418	6.1
203.07126	25.2
204.04251	26.5
205.05035	32.6
205.08676	5.8
206.05746	5.3
207.06577	7.5
211.04117	4.4
214.06267	11.0
215.03502	7.3
216.04224	13.6
217.08694	36.3
218.02142	5.8
219.03047	6.2
219.06595	65.9
220.06877	4.3
221.08176	43.9
222.08704	3.9
229.08604	7.8
230.05777	4.4
231.06612	55.9
232.07156	5.9
233.04486	27.6
235.06120	54.6
240.21907	3.5
247.06023	7.7
247.09711	9.7
249.07680	46.5
250.07968	4.2
251.05632	24.1
257.95276	3.7
258.05289	11.6
259.09668	7.5
261.04166	6.2
261.07703	6.7
263.12732	3.9
265.07263	9.1
273.07697	23.2
275.05597	45.1
276.06137	5.7
291.08771	49.8
293.06689	64.3
294.07040	4.4
294.28613	3.3
297.12338	5.6
305.44138	3.7
309.09793	4.5
335.07657	41.5
351.10724	4.3
353.08746	92.7
354.09213	7.5
395.09668	15.4
413.68973	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	394.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
60.01715	0.3
61.98832	100.0
70.06040	1.4
78.95920	1.2
92.53419	0.3
98.20537	0.6
98.29097	0.3
133.17937	0.3
161.51649	0.4
171.10223	0.5
197.11913	0.6
207.10216	0.4
238.07549	0.3
275.48511	0.3
296.10074	0.5
309.20798	0.5
311.22327	0.5
312.22546	2.0
387.53238	0.4
393.66278	0.4
394.18427	3.6
394.23102	0.5
395.18866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12405	41.0
61.98826	100.0
64.42952	50.8
70.63890	93.3
70.64222	69.9
82.16120	46.0
96.96011	51.2
98.20457	81.6
98.83080	38.7
141.41882	40.9
169.73547	50.2
356.63287	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69834	0.3
59.01376	0.9
60.17482	0.4
61.98825	100.0
71.55819	0.4
71.56226	0.5
73.18056	0.4
82.52553	0.4
192.07916	0.5
215.89206	0.4
222.08723	0.5
262.11777	0.5
285.07098	1.9
309.20578	2.0
331.18954	1.1
390.52481	0.4
394.18460	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41092	0.4
59.01377	100.0
60.01710	1.2
61.98839	0.5
70.38129	0.7
70.38529	0.7
87.36120	0.5
96.95982	3.3
98.20049	0.5
116.71612	0.4
214.52110	0.5
224.71501	0.4
258.42093	0.5
311.31158	0.5
336.77725	0.4
393.19681	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	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40248	0.9
57.03443	1.7
59.01381	24.2
61.26362	1.0
61.98536	2.1
61.98832	26.2
69.03446	1.1
70.87436	1.2
70.87762	2.3
71.01382	1.0
85.45963	0.9
96.96013	1.2
99.08108	1.8
111.08143	1.2
113.09737	4.4
125.09710	1.3
129.09181	2.6
139.11308	10.1
141.09210	1.1
144.56259	1.2
147.11807	3.7
163.11278	1.3
165.12819	4.5
169.12331	2.0
171.10310	8.3
181.12305	3.1
183.13850	1.4
193.08472	11.1
193.12347	4.3
197.11838	8.9
199.13406	3.3
209.60995	1.1
211.13417	14.2
215.10498	6.0
219.10060	1.2
231.10129	1.3
233.11588	73.3
234.11920	4.0
249.13557	1.6
251.11365	2.0
253.00182	1.4
265.21887	1.1
275.20190	2.1
293.12341	7.6
293.21255	14.2
294.21576	1.6
311.22281	100.0
312.22659	11.3
315.19366	2.8
322.56207	1.2
333.20636	9.4
350.22974	1.1
377.19296	2.1
393.22531	19.3
394.22583	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	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01380	24.1
61.98835	21.4
71.10420	2.9
80.91692	4.2
93.00877	1.6
113.09729	4.5
139.11298	4.8
154.09943	2.4
171.10210	5.0
177.12822	2.5
193.08472	2.8
193.12387	4.0
197.11853	2.5
211.13437	4.9
219.10063	11.3
221.11635	1.6
233.11613	5.4
244.10732	1.8
249.22241	3.2
262.11841	7.6
293.21225	48.4
294.21600	6.0
311.22287	100.0
312.22601	8.0
315.19473	11.6
333.20471	88.2
334.20612	7.2
393.22427	9.8
393.65930	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01380	93.1
60.01721	0.9
61.98829	2.8
65.72618	0.7
67.01913	1.3
71.01373	5.7
71.56428	0.8
72.99300	1.1
73.02911	1.0
75.00872	2.1
81.03468	1.9
83.01383	0.9
83.05018	3.9
85.02951	4.3
87.00880	1.7
89.02462	1.0
93.03469	10.1
94.03820	1.2
95.01363	1.2
96.96040	1.7
97.02981	1.1
97.06584	8.6
98.59837	0.8
99.00919	2.1
101.02449	1.2
102.37802	0.9
107.01391	1.1
109.02986	1.3
111.04556	2.5
113.02449	3.1
119.05041	4.0
121.02980	1.8
124.01665	1.8
125.02448	4.5
125.09724	1.9
127.04028	1.2
129.09245	1.3
134.03743	1.7
135.04512	3.2
137.02448	3.4
143.03485	1.2
146.03726	0.9
147.04517	1.2
149.99617	2.0
155.03488	3.4
159.04471	0.8
161.09721	3.1
163.03967	5.3
163.11308	1.9
165.03067	0.8
167.07109	2.6
168.00609	6.0
169.01364	2.6
171.10275	1.0
173.04561	26.0
174.04872	1.8
178.02747	1.1
185.83504	0.8
191.05626	11.8
192.05898	1.0
201.11327	5.6
209.11823	100.0
210.12146	6.5
226.06262	1.9
227.12817	4.5
229.10863	1.7
235.06216	2.6
235.56306	2.7
242.86841	1.0
249.06017	1.1
251.07159	1.6
253.08696	4.6
254.09271	1.3
257.05585	2.9
268.07599	1.7
279.06635	1.1
321.17062	1.9
323.28537	0.9
331.06760	3.2
339.18118	1.3
352.01529	0.9
357.19232	2.1
393.11185	5.2
393.20724	3.3
393.61273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60590	0.8
54.44268	0.9
56.09954	0.8
56.22162	0.8
59.01385	6.0
61.98812	0.9
69.47314	6.5
70.02165	0.8
74.42879	0.8
75.00884	2.5
76.70662	1.1
78.95908	35.6
91.20905	1.1
96.96006	1.9
110.98538	49.7
140.14659	0.9
146.79045	0.9
152.99570	4.8
167.01163	12.2
171.10315	2.6
185.02209	100.0
186.02556	1.9
201.19559	0.9
225.18616	34.7
226.18863	3.3
277.21698	2.9
280.51691	0.9
295.22812	11.7
296.23203	1.3
311.16739	2.8
393.19971	24.4
394.20261	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	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
70.56667	0.9
74.68950	0.6
78.95905	29.8
84.76862	0.5
98.19978	0.7
101.61917	0.5
110.98537	48.0
146.07574	0.5
152.98531	0.6
152.99582	3.5
167.01178	1.9
183.64413	0.5
185.02205	100.0
186.02507	1.6
225.18599	32.1
226.18990	2.0
393.20404	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	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03444	1.4
58.00587	2.6
59.01375	92.3
60.01718	1.2
61.01793	0.6
61.98836	1.1
64.26491	0.4
67.01914	0.4
67.56870	0.4
68.99818	1.0
69.03450	0.7
69.69832	2.4
71.01377	69.2
72.01714	1.2
72.99295	2.9
73.02941	9.1
77.02420	0.4
83.01385	3.4
85.02947	11.7
87.00864	4.1
89.02440	100.0
90.02774	1.4
93.03439	1.3
95.01379	2.6
97.06604	0.7
98.19893	0.9
99.00887	1.7
101.02439	37.2
102.02771	1.0
111.04552	0.5
113.02442	22.7
119.03500	24.9
119.75275	0.4
125.02424	2.4
131.03491	17.2
134.03593	0.5
138.25734	0.4
143.03490	6.0
149.04541	37.7
150.04877	0.7
155.03468	0.8
161.04555	5.9
163.03955	1.3
173.04469	1.6
179.05598	20.0
180.05899	0.5
191.05589	8.5
211.50409	0.5
235.05949	0.5
253.08627	0.9
257.05511	0.8
261.13382	5.1
275.09192	0.6
393.17538	6.3
394.14926	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	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03444	1.4
58.00587	2.6
59.01375	92.3
60.01718	1.2
61.01793	0.6
61.98836	1.1
64.26491	0.4
67.01914	0.4
67.56870	0.4
68.99818	1.0
69.03450	0.7
69.69832	2.4
71.01377	69.2
72.01714	1.2
72.99295	2.9
73.02941	9.1
77.02420	0.4
83.01385	3.4
85.02947	11.7
87.00864	4.1
89.02440	100.0
90.02774	1.4
93.03439	1.3
95.01379	2.6
97.06604	0.7
98.19893	0.9
99.00887	1.7
101.02439	37.2
102.02771	1.0
111.04552	0.5
113.02442	22.7
119.03500	24.9
119.75275	0.4
125.02424	2.4
131.03491	17.2
134.03593	0.5
138.25734	0.4
143.03490	6.0
149.04541	37.7
150.04877	0.7
155.03468	0.8
161.04555	5.9
163.03955	1.3
173.04469	1.6
179.05598	20.0
180.05899	0.5
191.05589	8.5
211.50409	0.5
235.05949	0.5
253.08627	0.9
257.05511	0.8
261.13382	5.1
275.09192	0.6
393.17538	6.3
394.14926	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03456	2.4
58.00585	0.9
58.00846	0.2
59.01379	22.3
61.98831	2.2
68.99842	0.3
69.03448	0.4
71.01383	34.3
71.26406	0.4
72.01733	0.4
72.99313	1.7
73.02947	13.1
75.00873	0.8
83.01385	7.7
85.02954	17.4
86.00111	0.8
86.03286	0.5
87.00872	1.4
89.02445	4.2
93.03458	0.7
95.01392	2.5
97.02948	1.2
97.06609	0.4
99.00883	6.3
99.08165	0.6
100.68362	0.2
101.02449	33.1
102.02769	0.6
111.00896	1.0
113.02457	14.8
114.02779	0.4
117.30733	0.2
119.03513	0.5
119.05007	0.4
125.02476	1.4
129.01955	0.9
131.03487	0.7
143.03497	1.7
149.04552	0.5
157.08679	0.3
159.02997	3.5
161.04555	16.8
161.66382	0.2
162.04997	0.4
163.04004	0.6
169.08696	0.3
173.04601	1.1
177.79350	0.3
191.05586	1.7
205.03494	0.5
209.11806	0.2
219.03012	0.3
261.13431	100.0
262.13760	6.5
298.67749	0.2
305.12363	1.1
306.09348	0.4
332.14124	0.2
333.18970	0.2
393.17651	21.9
394.18045	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54848	1.2
57.03452	1.4
59.01381	39.6
61.98835	18.8
66.92471	1.1
69.03456	6.9
71.01377	1.8
71.24702	1.1
89.02467	1.3
96.51855	1.1
96.96032	3.2
101.02470	1.3
112.41088	1.1
113.02425	1.5
121.10242	7.4
125.09702	4.7
161.04605	1.2
162.84711	1.3
165.12822	1.6
167.14433	1.2
180.12271	1.4
185.11794	5.2
193.08360	2.1
207.09988	11.0
208.12769	1.2
211.13388	25.1
212.13770	2.0
227.17979	1.7
233.11603	3.6
233.83116	1.3
245.19121	8.9
261.11093	4.6
273.14743	1.5
287.16266	4.0
288.16452	1.2
291.19669	29.3
292.19980	3.6
295.16736	1.8
309.20657	2.0
313.17850	100.0
314.18243	10.2
326.12277	2.7
331.18036	5.8
335.07101	1.2
373.19199	1.4
388.67816	1.2
391.18842	1.8
410.47617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04465	1.8
59.01377	56.0
61.98805	3.2
65.97481	2.0
69.03447	2.1
70.34076	1.9
71.01393	3.6
71.27202	2.9
80.91699	2.0
93.07131	2.4
99.92570	2.5
111.08154	46.6
113.06149	2.4
127.07646	2.8
151.11259	8.7
153.12842	2.1
153.68765	2.1
165.12831	7.6
169.12341	10.4
197.11819	100.0
198.12131	6.1
199.13306	4.3
211.13335	9.8
215.10483	5.6
219.10013	97.5
220.10320	4.9
233.11571	48.0
234.11874	2.6
249.13470	4.6
251.11345	5.8
263.20200	4.3
265.18140	3.1
265.69376	1.7
287.16336	4.9
291.19641	16.4
293.12704	9.4
309.20691	99.5
310.21069	10.1
331.18939	49.6
332.19131	5.7
375.17825	3.8
391.20435	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	392.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98837	81.4
69.81206	39.4
69.81615	24.8
71.01396	25.7
73.30354	13.6
73.93320	12.2
78.30069	10.7
85.02968	23.3
87.00887	17.0
89.02435	22.6
96.96019	43.1
98.95565	12.3
153.05807	11.3
157.74644	12.1
159.95100	12.1
161.04553	11.6
162.75488	13.3
173.04514	17.8
182.81131	14.1
191.05547	21.0
207.77496	12.1
303.06326	31.6
330.80219	12.1
392.18854	25.1
392.22928	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.9
61.98829	100.0
83.08236	0.4
118.05745	0.3
121.47994	0.3
139.72749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03423	1.7
58.00575	3.2
59.01376	100.0
61.23724	1.1
61.98822	2.3
65.40805	1.1
71.01377	67.3
71.56329	1.9
72.01716	1.2
72.99303	4.1
73.02945	20.1
75.00871	1.3
82.15650	1.2
83.01365	3.4
85.02940	17.5
87.00877	4.1
89.02437	77.0
93.03445	11.0
95.01405	6.0
97.06590	5.0
99.00873	70.1
100.01218	1.7
101.02431	33.0
109.02951	1.5
111.04499	3.9
113.01633	2.0
113.02437	41.4
119.03490	21.9
119.04944	7.1
127.03972	1.4
131.03490	11.0
133.02925	1.6
134.03760	5.4
135.04454	1.3
137.02437	2.8
139.00459	1.2
143.03470	5.8
147.04533	1.6
149.04549	36.0
149.05933	1.8
155.03554	3.1
159.04539	1.3
161.04544	19.3
163.04013	10.2
173.04523	17.1
178.02687	4.5
179.03285	1.4
179.05585	11.2
191.05598	50.5
192.05998	1.9
216.02425	1.6
231.15961	3.4
233.06595	6.0
235.06093	3.4
253.08737	5.8
257.05811	6.0
257.55722	2.4
261.13364	3.3
275.09229	4.3
276.04541	1.3
287.63141	1.1
293.08704	1.9
306.09308	3.3
306.59396	1.5
333.19110	1.6
337.09155	2.4
346.38754	1.3
351.20206	1.3
393.12137	2.7
393.17566	52.2
393.21396	9.2
394.17667	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32219	0.4
59.01376	100.0
60.01728	0.6
69.46562	3.4
71.01377	4.1
75.05141	0.4
76.69395	0.4
79.28432	0.4
79.93970	0.4
85.02954	1.0
89.02443	5.9
93.03459	0.6
93.69837	0.4
95.01403	0.5
101.02425	3.5
113.02459	2.1
119.03496	3.2
143.03586	0.8
161.04591	0.9
179.05655	1.9
191.05664	0.6
204.28918	0.5
222.04419	0.5
282.06473	1.2
290.87030	0.5
331.17892	1.4
376.23187	0.5
413.78876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64117	1.7
59.01382	39.1
61.98835	24.4
69.72042	7.8
71.01382	12.4
74.10425	2.0
80.91676	8.2
89.02446	2.1
97.02957	4.1
125.76033	1.8
125.99388	3.1
141.09241	5.0
161.04556	1.9
165.01733	4.7
171.10318	2.0
181.08449	2.3
193.08418	10.1
200.10500	2.5
201.11035	1.9
209.07959	4.0
221.07974	3.6
222.08733	70.5
223.09479	41.3
225.02713	1.9
236.10278	2.2
247.20294	1.6
254.07698	6.8
262.11819	9.3
282.09662	19.5
291.19632	3.0
303.19330	3.1
309.20724	37.3
310.21173	3.2
313.18155	2.6
331.18915	100.0
332.19260	10.0
349.18729	2.0
355.47198	1.8
391.19858	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	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45574	0.4
57.03456	1.3
59.01378	16.8
60.99319	0.4
61.98832	1.1
67.01891	4.0
68.78976	0.4
69.03469	1.1
69.88302	0.4
71.01376	4.5
71.05032	0.7
71.55359	0.5
73.02957	1.4
75.00887	0.5
78.70245	0.5
78.95918	1.8
81.03453	1.0
83.05041	2.0
85.02973	0.9
87.00894	1.6
88.04033	0.8
89.02473	0.8
93.03454	28.4
93.35944	0.5
94.03814	0.5
94.06652	0.5
96.00912	0.4
99.00919	0.6
101.02463	0.9
101.95294	0.4
109.02975	0.8
111.00906	1.0
111.04522	6.8
113.01694	0.5
113.02466	1.5
118.06653	0.7
119.03556	0.7
122.06130	2.3
124.04094	0.5
124.07691	0.7
127.04106	0.7
127.11252	1.2
134.03743	1.3
134.06081	1.0
135.04523	0.9
135.08162	0.5
135.32545	0.4
136.07700	1.2
137.02444	5.6
137.09718	2.8
138.05605	0.7
143.07140	0.4
146.06093	1.4
148.03992	2.1
149.06078	0.8
150.05656	2.3
152.07158	0.7
155.03500	5.7
155.10782	8.3
157.08688	0.8
160.04022	3.8
161.04701	1.5
162.05583	1.0
171.00601	0.9
171.10255	1.2
173.04536	100.0
173.11823	1.8
174.04872	3.7
178.02664	1.0
178.05049	2.7
181.08693	1.4
191.05591	3.6
193.05104	3.2
199.09737	6.6
212.10712	0.6
217.10786	29.5
218.11208	1.4
223.00256	0.4
224.10837	2.3
225.10370	0.5
227.08218	0.6
230.11763	1.1
232.57401	0.5
237.06670	0.6
242.11952	3.0
242.13882	0.5
243.11353	2.8
243.13498	0.5
251.08301	1.0
252.09059	4.4
255.08743	1.4
255.11325	0.9
256.08636	0.8
260.12894	1.0
267.11377	13.1
268.11612	1.4
270.09924	1.1
284.08005	1.0
285.12436	12.0
286.12750	1.1
293.09277	0.8
303.13446	1.9
311.10349	3.6
329.11395	9.2
330.11591	0.9
346.05316	0.6
347.12326	1.7
354.98206	0.5
373.10349	5.6
391.11353	5.8
391.15958	29.8
392.16315	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	391.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31462	0.5
52.72939	0.5
57.61010	0.5
59.01377	13.3
61.98828	1.4
69.03442	2.5
71.01382	1.9
71.05003	0.7
71.55539	1.1
71.94281	0.5
78.78784	0.6
78.95897	5.9
79.95742	1.0
83.05031	0.7
88.98803	0.9
93.03453	0.6
94.11497	0.5
95.05064	0.7
96.96005	0.9
110.98524	4.6
111.59282	0.6
125.09731	0.9
149.09702	0.8
152.99568	1.0
161.04620	0.6
167.01114	1.7
167.10759	3.7
178.38161	0.5
179.10799	1.9
179.14366	4.4
185.02170	5.8
187.11331	0.6
195.13885	12.3
196.14185	1.2
205.12334	9.1
206.12784	0.9
223.13371	100.0
224.13693	6.8
234.72513	0.6
273.03528	0.7
308.84702	0.6
325.86551	0.6
391.15121	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91888	15.4
59.01382	100.0
61.98838	20.9
71.54924	15.4
71.55436	23.2
78.95919	19.0
129.02011	19.1
152.99557	86.9
159.25250	16.5
179.56203	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	389.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01759	14.0
59.01379	91.4
61.98817	24.4
64.93789	13.4
70.81306	48.3
75.65147	14.7
89.02469	37.5
98.20457	23.0
100.37809	14.6
120.11977	15.1
152.99632	100.0
223.16927	16.3
253.21703	25.9
255.23042	17.5
390.19708	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	0.7
65.47779	0.3
66.25475	0.4
66.81056	0.4
69.73256	2.4
70.96848	0.4
98.20130	1.0
139.05078	0.4
152.33241	0.4
152.99599	1.5
167.87340	0.4
244.03763	0.4
253.21753	0.5
389.19098	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61448	1.1
59.01382	100.0
60.25141	0.9
69.16236	1.0
70.12531	2.8
152.99568	1.4
196.38284	1.1
199.19945	1.2
209.78506	1.1
281.92960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92028	0.6
61.98828	100.0
64.49947	0.5
98.19857	1.4
140.87674	0.6
168.34100	0.5
185.44852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53569	0.4
54.72562	0.4
59.01374	1.5
61.98830	100.0
69.90946	1.8
78.47274	0.5
79.95739	0.8
85.98474	0.5
94.28436	0.5
96.96022	1.7
98.19894	0.8
107.32327	0.5
112.41301	0.5
228.72131	0.5
252.67256	0.5
390.16830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50006	1.9
57.03440	5.3
59.01373	23.7
61.98812	8.0
63.90585	2.3
66.03483	15.3
69.50164	14.2
69.51054	1.8
70.02971	4.9
71.01373	9.2
73.02943	22.4
74.34060	2.0
76.13182	2.5
80.05070	2.4
83.01376	2.7
83.05006	7.4
84.04528	4.5
85.02939	10.0
86.02473	2.9
87.04475	3.7
89.02416	3.6
92.05030	3.9
93.03442	5.1
94.02984	3.4
94.18764	2.3
95.05009	3.7
96.04534	5.1
96.95996	10.2
98.02465	12.0
101.02424	4.1
101.06052	3.4
101.65900	2.0
106.06611	3.2
108.04549	17.9
109.06590	2.4
110.06060	4.1
111.04504	5.7
112.03986	4.3
113.06078	3.1
114.05585	6.5
120.04556	4.0
121.41634	2.2
122.06111	38.9
123.08118	7.8
125.06051	5.2
125.09680	2.3
128.03545	4.9
130.05063	2.2
133.06395	2.1
134.06087	15.1
135.08109	6.9
137.06036	5.0
138.05566	2.3
140.07149	2.7
147.08162	4.5
149.09712	2.9
152.07123	4.0
153.09175	6.0
163.11232	3.4
165.09209	5.5
173.04475	4.6
174.09148	3.1
175.11246	3.2
182.09529	2.7
183.10225	9.2
185.11894	3.2
193.12260	6.8
195.10381	2.4
197.11812	2.4
211.13286	3.1
217.10764	2.7
224.94223	2.5
241.14433	3.3
259.15384	3.7
288.15881	5.6
306.17151	22.1
307.17358	3.4
324.18130	100.0
325.18454	7.1
336.18039	8.6
342.19263	14.2
354.19019	21.5
355.19479	2.4
372.20087	11.8
390.21329	25.4
391.16241	4.0
391.21521	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	389.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	76.0
61.98825	78.4
66.39347	3.1
71.01372	7.4
72.99316	5.3
78.95874	8.5
79.95719	3.3
87.00863	7.7
89.02441	4.0
89.90824	3.0
90.49983	3.5
93.03454	5.8
93.23536	3.5
93.89879	3.5
101.02407	4.3
110.98506	7.2
113.02402	7.0
113.18607	3.7
123.87914	3.3
129.09242	7.1
134.87552	2.9
143.10765	7.2
164.07121	4.5
173.04547	17.8
176.05647	3.2
177.12801	4.0
178.02695	4.5
185.02187	13.0
209.08427	3.2
229.08655	3.9
237.18538	4.9
257.21091	10.7
285.20682	22.4
303.21732	100.0
304.21964	5.6
307.73703	3.7
327.15799	3.8
345.22833	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.3
61.98828	13.6
62.14787	1.0
69.21326	9.9
71.05021	7.4
77.04485	1.0
80.91662	4.9
81.03452	1.2
81.95287	1.0
83.05042	2.9
85.02959	1.0
93.03456	3.8
95.01390	2.2
95.05019	2.2
96.81685	1.0
96.96020	7.6
99.92590	1.8
106.04243	2.0
107.05026	1.5
109.06587	12.5
111.04520	11.6
120.65623	1.1
121.06587	6.1
122.06949	1.1
123.08096	1.5
127.07646	3.7
135.08252	1.1
137.09724	1.2
143.10756	1.6
145.06615	3.1
149.06062	9.0
163.11255	1.5
167.10791	3.2
179.10747	1.8
195.13876	2.5
210.42390	1.1
217.12112	2.8
235.13368	2.0
243.17358	1.3
245.19083	5.3
247.09575	3.9
249.11049	5.6
257.11548	7.0
258.12006	1.5
261.18423	1.4
271.13077	1.5
273.14957	1.2
279.12204	1.7
287.16458	2.1
289.18085	100.0
290.18494	10.0
300.13419	2.5
301.16376	1.5
307.19128	11.4
311.16312	4.0
312.16547	1.4
329.17285	66.2
330.17523	8.9
345.17502	1.1
389.16479	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	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78538	2.1
55.82173	1.9
57.03430	6.5
59.01377	56.9
59.33348	1.7
61.98812	2.4
69.03446	3.4
69.89342	8.2
71.20892	2.0
75.00858	3.5
80.02675	4.1
80.91676	6.3
81.03452	6.8
83.01390	9.6
83.05019	6.0
94.57540	2.2
95.01402	2.3
95.05002	4.0
97.02940	3.6
97.06588	10.0
109.06555	3.6
121.02917	2.0
121.06587	3.6
123.04481	7.3
123.08107	3.4
125.09711	19.8
133.40834	1.9
135.08138	4.1
137.06168	1.9
137.09715	12.7
141.12856	2.7
161.09644	2.7
162.10513	2.1
163.11293	18.0
165.12746	10.5
167.10770	2.4
177.12840	3.6
181.12296	5.9
185.11855	15.8
191.10791	6.2
191.14397	21.3
207.10318	12.2
209.11818	77.7
210.12160	6.9
225.11296	8.2
225.81743	2.0
231.10005	57.6
232.10353	4.1
233.11559	5.0
245.19058	32.9
246.19479	4.4
247.20709	3.2
252.13756	2.2
263.20099	2.7
271.16995	3.3
285.18237	5.0
289.18076	100.0
290.18326	9.8
291.12323	5.0
291.19592	23.4
292.19638	2.4
307.19138	62.1
308.19479	6.3
317.17307	9.2
329.17355	15.1
334.15567	2.1
337.41541	2.1
367.82288	2.3
371.42038	2.4
383.03107	2.4
389.19659	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.59675	0.7
51.60796	0.7
53.25628	0.8
57.03442	2.7
58.00587	0.9
59.01382	27.8
59.46608	1.0
59.60773	0.8
61.98834	3.8
62.97815	0.8
71.01387	16.4
71.55569	1.3
72.99325	4.7
73.02943	3.7
75.00870	15.2
78.95918	1.0
79.95747	2.8
83.01385	1.0
83.05040	1.2
83.50884	0.8
84.49102	0.8
85.02950	13.0
87.00901	5.8
89.02459	1.8
93.03452	1.4
93.58324	0.9
95.01366	1.5
97.02909	1.2
97.06654	1.6
98.53550	1.0
99.00855	2.0
101.02444	11.0
103.00407	1.7
111.00854	1.0
111.08176	3.0
113.02453	12.0
115.00391	1.3
124.00719	2.0
157.01451	1.1
161.04552	1.2
165.12849	30.8
166.13152	2.0
167.14407	1.6
173.04594	4.1
175.02431	1.8
182.31804	0.8
183.13898	78.7
184.14244	4.5
191.05591	1.0
195.13887	3.3
197.15465	7.5
207.13905	4.3
209.11853	8.6
210.12204	1.0
213.14917	7.0
219.37154	0.8
225.14987	8.6
227.12880	100.0
228.13170	7.0
241.14392	1.4
251.12856	1.1
269.13916	11.8
270.14246	1.0
299.15048	3.2
329.16037	14.6
330.16318	1.3
345.22546	1.3
389.18124	44.5
389.25739	2.6
390.18512	5.2
407.50882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94555	1.3
59.01372	6.5
61.98826	100.0
62.06219	1.3
75.00890	3.2
78.19845	1.1
96.96003	3.3
121.06557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.95496	0.5
86.22488	0.5
113.67750	0.6
116.32137	0.6
210.83551	0.5
287.30936	0.6
400.55658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.7
61.98827	100.0
70.56629	1.0
78.09149	0.4
79.63437	0.4
141.28325	0.4
335.80020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98838	19.8
69.35107	2.5
69.40509	2.6
70.13290	6.0
70.13677	5.9
71.01376	54.0
72.99300	7.1
73.02978	2.9
85.02938	13.5
87.00905	3.9
89.02441	80.0
93.44671	2.8
96.95998	7.5
101.02448	23.8
113.02461	19.7
119.03506	24.8
125.50143	3.1
143.03468	4.7
149.06050	2.7
153.05608	3.8
161.04529	6.7
163.60687	2.5
173.04527	7.1
179.05563	14.9
180.77379	2.7
215.09122	5.1
383.93423	2.6
389.12109	16.9
399.82129	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	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68013	1.0
55.01854	1.1
56.02042	1.1
58.00581	4.5
59.01377	100.0
60.01704	1.2
61.98820	1.8
71.01379	61.5
71.23598	2.0
72.01693	1.1
72.99312	4.3
73.02943	2.3
76.03273	1.1
77.29941	1.1
83.01392	1.7
85.02943	11.6
87.00872	3.1
89.02443	88.9
93.72948	1.1
95.01374	3.9
96.96005	1.4
101.02441	28.8
113.02442	26.3
116.65261	1.0
119.03493	31.6
131.03493	3.7
143.03493	6.6
149.04556	4.9
161.04559	6.7
161.18018	1.2
173.04462	1.4
179.05600	17.2
253.96146	1.1
302.29135	1.1
330.15317	1.1
334.91879	1.1
382.89624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72427	1.2
53.09273	1.1
59.01381	26.4
61.98820	1.6
69.34331	8.8
94.66975	1.2
130.25613	1.1
142.42236	1.1
176.21288	1.4
208.12381	1.2
209.22742	1.2
305.24838	100.0
306.25186	10.0
387.25150	28.0
388.25583	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78658	0.3
59.01377	4.1
60.01701	0.6
61.39146	0.3
61.98829	100.0
64.96282	0.3
70.40398	0.7
70.40795	0.6
71.01380	1.6
73.02942	0.3
80.72018	0.3
85.02938	0.5
87.00909	0.8
89.02438	1.5
89.33712	0.3
90.02781	0.3
92.57915	0.3
93.03461	0.4
96.96007	0.3
101.02454	0.8
113.02461	0.5
119.03544	0.6
135.04533	1.1
153.46732	0.3
173.04536	1.8
177.01961	0.8
178.02304	0.7
179.03586	0.3
191.05563	0.7
192.04375	0.7
193.04524	1.3
207.06580	1.4
208.06969	3.2
215.09254	0.5
226.08093	0.6
227.09296	0.4
256.93192	0.3
298.38779	0.3
337.94089	0.3
353.09045	0.6
388.16959	1.6
389.14349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	100.0
60.41727	28.2
70.26173	29.0
71.39046	28.2
71.56688	39.9
72.76878	28.1
88.02234	26.0
99.11919	25.9
102.75436	27.7
104.84142	23.1
106.57222	33.9
215.07013	27.9
281.91571	31.9
337.01642	29.1
387.25198	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41059	25.1
59.01374	100.0
61.98805	45.4
71.55607	26.4
73.51546	29.2
220.80508	30.1
241.89597	30.3
266.78970	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03190	0.4
57.03450	3.4
58.00591	3.0
59.01378	53.8
60.01720	0.6
61.98821	0.7
69.03450	0.4
69.46449	2.3
69.46834	0.8
71.01379	46.3
71.04999	0.8
72.01720	0.8
72.99294	2.8
73.02945	7.4
75.00854	1.2
81.03429	0.4
83.01382	4.7
83.05039	0.4
85.02946	14.9
87.00863	3.0
89.02441	30.3
90.02784	0.4
93.03451	0.7
95.01385	4.0
95.05067	0.6
96.96014	1.0
97.00457	0.4
97.02947	1.2
99.00885	3.1
101.02436	30.7
102.02767	1.1
109.06596	0.6
110.02485	1.6
111.00919	0.6
113.02448	18.3
114.02769	0.5
119.03495	13.7
120.03862	0.5
125.02421	0.8
129.01936	0.4
129.31143	0.4
130.08745	0.4
131.03510	1.1
134.03737	0.5
135.08195	0.4
137.09705	1.5
138.06873	4.1
143.03468	1.7
149.04567	0.9
151.07652	0.4
151.11267	0.5
152.08374	1.2
153.09206	10.9
153.12831	0.6
154.09474	0.3
157.01480	0.4
159.02971	1.3
161.04532	8.4
163.11282	0.9
173.04579	1.6
177.05495	0.7
179.05568	2.1
181.12181	0.4
191.05615	0.5
195.13881	1.1
197.15465	1.3
207.06602	0.4
207.13889	3.0
209.11801	1.9
225.14951	28.9
226.15262	2.4
227.12863	0.6
251.05644	2.2
282.44708	0.3
291.04987	0.5
300.14539	0.4
333.06030	0.6
351.07169	1.2
387.20212	100.0
388.20526	11.8
398.88968	0.4
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	Sedumoside I
Peak:m/z	Relative Intensity
52.27234	0.4
54.26848	0.4
55.01881	1.6
57.03447	2.8
59.01378	100.0
60.01727	0.7
61.98819	2.4
71.01379	20.0
71.05021	0.7
71.55582	0.6
72.01731	0.5
72.99310	1.0
73.02946	7.7
74.02483	1.0
75.00873	0.7
80.60013	0.5
81.03471	0.7
83.01365	3.1
85.02946	10.3
87.00890	1.0
89.02417	3.0
93.03453	0.9
95.01382	1.4
96.53793	0.6
97.02990	0.6
99.00882	3.2
99.04527	2.4
101.02444	12.8
102.05615	0.5
113.02442	7.0
113.03166	0.7
123.04514	0.6
125.02460	0.7
128.03578	0.9
135.04535	0.7
139.11314	0.7
143.03487	0.8
159.03000	1.6
161.04547	9.7
162.83989	0.5
173.04575	2.0
183.04602	0.8
183.13879	3.2
191.05687	1.2
203.05624	0.9
207.10391	0.9
219.08734	5.0
225.11340	2.6
225.14989	0.6
296.44592	0.5
309.52148	0.5
327.18338	1.3
341.17413	0.6
345.19110	5.9
346.19559	0.8
365.37543	0.5
366.67865	0.8
367.30093	0.6
387.15140	0.8
387.20157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03456	0.8
59.01377	100.0
60.01701	0.8
61.98837	2.1
64.72477	0.7
65.92509	0.6
69.39859	6.1
71.01382	18.1
71.14524	0.7
72.99319	0.9
73.02947	7.6
74.02477	1.8
75.14285	0.7
76.40510	0.7
76.94994	0.7
79.95718	0.9
83.01403	2.7
85.02949	6.5
85.06593	0.9
87.00879	1.5
89.02448	4.6
93.03470	2.1
95.01370	1.8
97.06593	1.4
98.20679	1.5
99.00887	1.2
101.02438	15.1
113.02450	7.6
115.07656	1.5
117.74886	0.7
119.03497	1.9
119.05084	1.7
129.09218	1.1
135.04550	1.6
137.02473	0.9
143.03461	0.9
155.03535	0.8
159.03072	1.3
161.04565	5.0
162.03238	0.9
163.04001	1.0
165.12840	4.1
173.04559	7.1
177.05537	1.0
179.03476	1.3
179.05637	0.8
182.04565	1.4
183.04942	1.2
191.05655	2.5
213.14941	1.6
262.18521	0.7
265.07767	0.8
267.09222	1.7
283.19217	1.9
301.20184	10.6
302.20587	0.8
327.11319	2.5
327.18115	2.0
327.21667	1.4
343.21320	3.3
345.19147	15.3
345.22769	1.7
346.19604	1.8
387.20126	2.2
387.24301	1.7
388.27225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03461	0.6
58.00586	1.4
59.01381	68.9
60.01717	1.2
61.98832	1.3
71.01385	18.6
72.99303	1.8
73.02959	1.0
73.04073	0.8
74.02470	0.9
83.01388	1.3
85.02946	4.0
87.00879	0.8
89.02448	16.9
93.03466	2.8
95.01366	1.3
98.96036	0.6
101.01794	0.8
101.02455	10.6
111.04480	0.8
113.02457	5.7
119.03504	6.9
131.03564	0.8
143.03455	0.9
155.03470	0.7
159.07800	0.9
161.04594	0.7
163.11307	5.1
169.06215	0.6
173.04547	12.1
179.05681	0.9
191.05620	0.8
207.10295	11.4
208.10500	0.7
224.94429	0.6
226.51486	0.6
387.16614	100.0
388.16873	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	387.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98825	1.8
63.96236	74.8
64.97021	1.8
69.09026	0.4
69.47972	0.4
71.56097	0.9
79.95734	100.0
80.96513	8.3
86.79795	0.4
87.00829	0.5
97.44955	0.5
132.99641	5.1
137.09712	1.6
145.88632	0.5
147.81931	0.4
173.06430	1.1
179.98903	0.5
225.14923	0.4
226.03638	0.4
233.15477	1.1
261.11612	2.0
265.18097	1.7
276.10092	0.5
277.11243	4.1
278.11432	0.6
301.14822	0.5
327.21851	0.7
387.18442	46.6
388.18741	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	387.1295
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.69696	0.8
55.01831	1.1
57.03425	1.2
58.00559	1.8
59.01376	64.1
61.98828	35.6
70.24308	1.3
70.24657	2.1
71.01379	24.2
72.99274	2.4
73.02898	1.4
77.08662	0.7
81.63087	0.7
83.01372	1.7
85.02935	6.0
87.00867	1.0
89.02441	28.4
93.03431	3.0
93.26566	0.7
95.01358	2.3
95.04963	1.0
96.95988	0.7
99.00826	1.0
101.02439	17.9
113.02449	9.7
119.03496	12.6
121.02907	1.1
138.03116	1.0
149.02429	3.9
151.03986	2.0
161.04477	1.9
163.11284	13.2
164.11594	1.0
165.05605	3.6
173.04546	2.5
177.01917	33.6
178.02428	2.4
179.05659	1.5
179.82881	0.9
181.05109	1.4
191.05634	1.0
192.04276	46.7
193.04749	3.7
207.06609	100.0
208.06946	6.3
213.12515	8.4
216.91194	0.7
225.07671	17.4
225.11139	0.8
229.57317	0.8
231.58104	0.9
268.35321	0.9
372.10690	0.9
387.13013	2.7
387.16733	37.0
388.16858	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	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
61.98827	100.0
62.64218	0.7
68.00740	0.8
71.56164	1.7
71.56538	1.1
79.95750	0.8
141.01726	0.9
162.83907	9.1
164.91069	0.8
173.04536	1.2
196.73196	0.9
205.12401	0.9
214.52080	0.8
216.86568	0.9
223.13402	6.7
224.13690	1.9
225.08972	1.0
245.11462	1.0
305.13647	1.0
361.79031	0.8
368.94012	1.0
385.97131	2.9
386.21274	0.8
387.18738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33453	1.3
57.03436	1.5
59.01378	16.6
61.15430	1.4
61.98834	11.2
67.01895	3.1
67.35664	1.3
69.03419	2.1
69.40960	11.6
71.01383	7.8
72.99303	7.9
73.02948	1.5
74.02433	1.5
81.03465	5.3
85.02949	15.7
85.16589	1.5
87.00874	5.5
89.02443	4.0
93.03453	27.0
95.05027	6.3
96.96019	6.7
97.02947	2.0
98.20622	2.5
101.02443	3.6
105.03461	4.6
107.05012	7.0
108.02174	9.1
109.02955	6.4
111.04496	5.5
113.02415	3.2
119.05026	7.3
121.02935	8.2
123.04539	18.6
124.76250	1.4
125.02454	2.9
127.03960	3.5
128.03574	2.4
130.08684	1.7
132.36714	1.7
133.02972	20.4
134.03699	2.9
135.04520	17.0
136.04837	2.0
137.02434	3.0
149.02440	3.6
149.91675	1.4
149.99599	1.6
150.03246	1.8
151.02890	2.3
151.04010	31.9
153.01944	2.0
154.02612	1.5
155.03499	3.5
161.02461	1.9
163.04027	11.6
163.11240	1.9
165.01933	1.4
165.05560	8.2
173.04538	25.6
177.01961	9.3
178.02652	3.4
179.03499	10.3
183.06601	4.4
191.05614	100.0
192.05930	4.7
195.02946	6.4
207.06700	3.2
209.15932	1.5
213.04002	2.4
223.06285	2.6
225.07726	28.3
302.80615	1.5
337.09134	3.3
354.09857	1.8
387.08667	2.3
387.12708	3.1
387.16864	4.7
388.16940	1.9
409.51230	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	385.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77116	0.4
57.03445	0.5
59.01379	3.4
61.98826	0.9
68.94514	0.4
70.21780	0.4
70.22114	1.6
71.01360	0.5
75.00870	1.7
77.58556	0.4
89.02420	0.5
91.04002	1.5
96.96026	1.1
102.41393	0.4
110.82795	0.4
113.09744	0.9
115.07636	1.0
121.02954	1.5
128.08444	0.4
135.76039	0.4
139.11209	0.4
167.14417	3.2
171.10294	0.6
183.13914	2.4
195.13899	10.1
196.14235	0.7
197.11844	0.9
211.13382	1.1
213.14952	1.1
214.71057	0.4
215.00368	0.4
242.15236	0.8
249.22191	0.7
265.21628	0.6
267.23334	0.6
275.20081	0.7
283.22845	0.7
287.05527	1.0
293.21219	9.6
294.21436	0.9
309.20743	1.5
311.22256	100.0
312.22617	9.7
327.23795	0.4
356.83435	0.4
385.25906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.7
61.98829	100.0
62.98516	0.3
65.78706	0.3
69.17103	0.2
69.20534	1.2
69.20966	1.3
71.01376	2.6
72.99308	0.3
85.02954	0.6
85.91335	0.3
89.02448	2.1
93.03461	0.5
98.20710	0.5
101.02454	1.2
104.00658	0.2
113.02442	1.3
119.03526	0.9
121.02964	0.5
149.02411	2.2
150.02765	1.7
152.01241	0.3
163.04094	0.3
163.11299	2.2
164.04816	1.4
165.05101	1.4
167.03499	0.4
173.04517	1.9
179.07173	0.6
180.07539	0.5
191.05623	0.3
193.01460	1.0
194.01768	0.9
207.10304	1.1
208.03758	1.6
209.04120	2.2
223.06104	3.3
223.08075	0.3
224.06451	5.4
225.06586	0.3
278.86267	0.3
386.12082	0.4
387.16623	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45390	0.7
57.12887	0.6
59.01384	4.2
61.98815	2.0
70.69865	1.3
70.70237	1.4
71.01370	1.0
75.00877	2.0
85.02982	0.8
91.03999	1.3
98.20661	0.6
113.77966	0.8
115.07676	0.8
120.52280	0.7
121.02988	0.8
124.49837	0.7
165.12743	0.8
167.14349	3.5
170.27592	0.8
181.12271	0.7
183.13875	2.7
195.12227	1.3
195.13896	10.8
196.14166	1.0
197.11835	0.9
211.13336	1.2
213.14915	1.0
230.20859	0.7
242.15312	1.1
249.22176	1.0
267.23276	0.9
282.01169	0.8
285.03265	0.9
287.05591	1.2
293.21198	12.1
294.21585	1.3
309.20859	1.5
311.22263	100.0
312.22635	10.8
315.22333	0.8
385.14728	1.1
385.25803	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	385.2019
Annotation	16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate
Peak:m/z	Relative Intensity
59.01379	58.7
59.77951	1.5
61.98824	4.1
69.53550	5.8
69.53962	4.5
75.00867	1.6
90.30696	1.6
121.02966	4.9
122.03748	6.3
123.04513	5.1
132.05779	3.1
133.06561	1.6
135.04454	10.7
187.11272	24.7
188.11586	2.8
243.69193	1.7
311.25775	2.0
325.18060	100.0
326.18469	12.9
385.23669	1.8
398.21014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2228
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01373	6.8
61.98822	8.4
71.01376	1.1
75.00864	0.9
85.02974	1.1
89.02454	1.7
91.04008	2.8
96.95998	0.6
97.06593	0.6
106.76392	0.6
112.88672	0.6
113.02466	0.8
121.03000	0.5
122.03745	1.2
125.02420	0.9
167.14412	3.6
168.14793	0.8
176.51440	0.5
179.91400	0.5
193.15999	1.6
202.92496	0.6
207.17549	1.8
211.13480	1.3
223.20703	2.4
231.17546	1.1
233.15450	0.6
249.18588	8.7
250.18958	1.0
267.19635	100.0
268.19977	9.4
275.16516	11.4
276.16714	1.4
282.58615	0.7
285.04086	0.7
293.17569	71.2
294.17889	7.6
297.12357	0.7
311.18668	12.2
311.22159	1.4
312.18985	1.4
367.21161	9.0
368.21381	0.8
385.22284	75.4
386.22607	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46721	0.2
53.82654	0.2
56.17014	0.2
57.03443	1.1
59.01106	0.4
59.01377	5.2
60.99302	0.7
67.01890	4.5
69.03441	0.8
70.40887	0.4
70.41251	0.4
71.01379	3.0
72.99303	0.3
81.03458	0.6
83.05021	1.1
85.02938	0.4
93.03454	24.5
94.03816	0.4
99.00890	0.2
105.82540	0.3
108.02105	0.2
109.02956	0.6
111.00892	0.8
111.04519	4.2
113.02445	0.3
121.06583	0.5
127.03996	0.4
135.11827	0.3
136.40771	0.3
136.41850	0.2
137.02432	4.4
155.03491	5.0
156.65683	0.2
173.04536	100.0
174.04878	3.1
179.10782	0.3
180.06583	0.3
182.10979	0.3
191.05614	0.3
211.13382	9.7
212.13763	0.7
277.88922	0.2
311.15134	0.3
365.32135	0.3
385.18707	8.9
386.19034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78303	0.3
52.50902	0.3
57.03445	1.2
57.97126	0.3
59.01381	5.3
60.99321	0.3
61.98822	1.5
67.01892	4.2
69.03448	1.1
71.01380	4.0
72.99303	0.8
73.02946	0.5
81.03458	0.8
81.10522	0.3
83.01405	0.4
83.05023	1.3
85.02940	0.6
87.00874	0.6
93.03461	28.6
93.64615	0.3
94.03796	1.1
99.00870	0.9
99.04512	1.0
109.02921	0.8
111.00891	1.0
111.04525	5.6
112.98797	1.3
113.02448	0.7
114.21708	0.3
115.04007	0.4
127.04021	0.5
132.59813	0.3
135.04541	0.4
137.02437	4.5
142.99860	2.5
153.44238	0.3
155.03490	4.7
173.04547	100.0
174.01704	4.3
174.03093	0.5
174.03363	0.5
174.04858	4.3
175.04993	0.5
191.05624	0.5
201.13023	0.3
211.13393	18.4
212.13753	1.5
223.13257	0.8
243.93282	0.3
265.07532	0.5
267.12363	0.6
277.82864	0.3
293.31558	0.4
311.15369	0.3
325.20273	0.5
343.21008	1.6
355.14355	0.5
367.13864	1.6
385.18692	11.1
385.23254	0.8
386.19345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03453	2.5
58.00597	4.5
59.01380	100.0
60.01712	1.1
60.99285	0.4
61.98834	0.5
67.01886	0.4
69.03466	0.4
71.01382	75.6
72.01736	1.3
72.99312	4.0
73.02944	4.9
75.00874	0.6
81.03482	0.5
83.01384	3.8
83.05036	0.4
84.02204	0.4
85.02953	16.2
86.03326	0.4
87.00877	3.8
88.25969	0.3
89.02446	83.3
90.02779	1.2
95.01389	4.9
96.96976	1.0
97.02948	1.0
97.06602	0.3
99.00862	1.9
101.02442	44.4
102.02800	0.9
107.05058	0.5
109.06578	0.6
113.02451	30.9
114.02785	1.0
114.54736	0.3
119.03504	38.3
120.03785	0.6
123.08174	3.1
125.02469	0.9
125.09734	1.1
131.03499	4.4
131.33569	0.3
135.08150	1.4
138.06905	1.8
139.07672	0.7
143.03494	7.3
147.08153	1.4
148.07706	0.3
149.04555	3.1
151.07642	1.3
152.04793	0.3
152.08452	2.7
153.09216	20.3
154.09547	0.6
159.02992	1.1
161.04546	9.7
161.09818	0.3
162.04881	0.3
163.11285	0.9
165.09203	0.8
171.08142	0.5
173.04546	0.7
179.05618	15.4
179.10762	0.4
180.05774	0.3
187.09756	0.4
187.11278	2.9
189.09204	0.7
190.09984	1.0
191.05615	0.4
203.10652	0.5
205.12328	16.3
206.12712	1.3
209.11801	0.4
223.13406	3.4
301.43613	0.3
330.01059	0.3
385.18671	18.1
386.18912	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88878	0.8
57.03446	2.5
59.01379	12.6
61.98832	1.3
63.34281	0.8
64.78841	0.8
66.38218	1.0
67.01883	3.2
69.03443	1.0
71.01397	6.0
71.55644	1.0
72.99312	1.8
73.02940	2.9
82.28082	0.8
83.05029	3.0
85.02951	2.7
85.06623	1.0
87.00846	0.9
89.02455	2.7
92.17571	0.9
93.01866	1.0
93.03459	25.1
97.06602	1.0
99.00846	1.3
101.02421	3.3
111.00869	1.2
111.04523	10.7
112.98809	3.5
113.02437	2.1
115.00334	1.4
135.11772	4.2
136.75612	1.2
137.02435	5.3
142.99878	3.5
149.09697	3.2
155.03517	7.7
156.00862	1.0
161.09756	2.3
162.97050	0.9
164.03577	1.2
167.10779	14.7
167.14377	1.7
168.11223	1.0
173.00980	2.5
173.04543	80.1
174.01672	9.9
174.04869	2.6
177.09218	1.1
179.10768	10.3
191.05608	3.1
211.10095	12.9
211.13388	100.0
212.10063	1.0
212.13754	8.2
223.09749	6.1
223.13351	6.5
237.11368	1.0
239.09206	1.7
249.11351	1.1
263.12845	1.3
267.12405	3.6
305.14270	1.1
307.11874	1.6
313.71396	1.1
325.12888	2.1
367.13739	2.1
385.14819	9.3
385.18689	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	385.1866
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01872	2.4
57.03445	2.9
58.00594	2.2
58.04882	0.3
59.01378	57.5
60.01722	0.8
61.98838	0.4
68.99813	0.3
69.03451	0.8
71.01380	65.8
72.01727	0.9
72.99305	2.9
73.02946	11.3
75.00861	0.9
81.03488	0.3
83.01387	5.1
83.05026	1.2
84.02158	0.4
85.02949	22.0
87.00884	2.7
87.04539	0.4
89.02443	32.8
90.02758	0.5
93.03439	0.5
95.01379	4.3
95.05019	1.9
97.02956	5.2
99.00880	5.4
101.02441	33.7
101.40697	0.3
102.02773	0.7
103.68224	0.3
105.07082	1.5
107.05009	0.9
108.05805	2.4
109.02969	0.3
109.06608	1.9
111.00943	0.3
111.04510	1.1
111.08154	1.0
113.02448	25.0
113.06084	3.4
114.02794	0.8
119.03503	11.5
121.06580	0.9
122.03739	2.0
123.08151	4.5
124.05303	0.6
125.02442	1.3
125.06075	3.1
129.01938	1.0
131.03493	1.1
135.08163	0.7
136.05287	3.2
137.06110	1.7
137.09744	0.3
138.06866	21.0
139.07674	9.8
140.08047	0.3
143.03517	2.8
147.08199	0.7
149.04500	0.8
149.06065	0.9
151.07646	22.6
152.04880	2.4
152.08429	43.9
153.09209	100.0
154.09541	5.0
159.02979	4.0
161.04556	21.6
161.09703	0.7
162.04857	0.9
163.11305	3.5
165.05539	0.4
165.09218	2.3
166.06313	1.2
167.07112	1.9
173.04634	0.4
179.05615	2.9
179.10704	0.4
181.08690	0.6
187.11241	1.1
189.09229	1.5
190.10040	2.1
205.03416	0.3
205.12328	32.8
206.12646	2.4
209.07693	0.3
223.13385	20.1
224.13747	1.5
233.10341	0.4
346.80469	0.3
385.13687	0.9
385.18622	9.9
386.18887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83806	1.8
57.03456	2.1
57.14812	1.8
59.01369	9.4
61.98818	2.4
66.29670	1.3
68.99807	1.7
69.03467	2.5
69.26118	14.5
69.64554	1.5
71.01379	9.6
72.97933	1.4
72.99311	7.6
75.00883	1.3
79.21691	1.4
83.01382	3.8
85.02921	1.8
87.00861	1.8
93.03490	1.9
98.20704	3.3
99.00880	15.0
111.00883	4.0
112.98814	26.0
115.00363	5.8
124.98845	2.9
129.01968	2.2
135.04462	2.0
138.12967	1.7
142.99863	43.5
144.00200	2.3
156.00647	4.1
163.04033	1.7
173.00906	25.6
173.04532	9.1
174.01685	100.0
175.02425	9.2
195.13741	2.2
205.12294	3.7
211.13373	30.7
212.13739	1.8
219.13710	1.7
220.20667	1.7
223.13400	15.5
235.13275	1.6
237.11157	2.1
245.11824	2.5
249.14711	1.9
251.12997	2.2
263.12915	6.3
267.12347	17.0
268.12595	1.9
287.12973	2.0
305.14029	2.9
307.11819	12.5
308.12598	1.9
325.12787	4.2
337.12827	2.4
342.17096	1.9
343.21274	2.5
349.12854	4.9
367.13962	41.7
368.14438	4.7
385.14902	5.1
386.15912	2.3
406.93729	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72989	2.0
58.33328	1.7
59.01373	19.9
61.98832	10.1
70.70589	5.3
71.01374	12.5
72.99305	6.9
83.01375	3.9
93.03410	2.6
95.69653	1.7
96.95990	2.0
99.00882	14.3
99.66713	1.8
111.00872	4.6
112.98802	25.1
115.00340	5.0
124.98794	2.4
128.66954	2.1
142.99866	40.2
156.00607	3.8
173.00893	21.8
174.01678	100.0
175.02330	7.2
183.13828	2.0
199.13312	4.0
205.12285	2.5
211.13359	33.2
220.13635	2.2
223.13322	12.2
233.11804	2.2
245.11728	2.4
263.12851	6.7
267.12448	15.4
279.12250	2.8
307.11871	13.8
325.12909	3.7
343.21222	2.4
349.12756	5.5
350.12936	2.2
367.13901	35.0
368.14209	4.4
385.15024	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01372	11.4
61.98546	1.2
61.98831	23.1
69.79553	1.2
70.06510	1.3
70.78921	2.4
70.79259	1.7
71.01378	9.8
72.99290	7.6
75.00851	2.5
83.01398	3.4
83.05034	2.0
87.00850	3.7
88.73468	1.4
99.00871	17.4
100.51130	1.4
104.09027	1.7
111.00867	3.6
112.98793	26.8
113.99554	1.4
115.00356	6.1
117.01912	1.6
124.98795	2.9
130.08676	1.5
142.99850	38.3
145.01334	1.6
156.00587	3.8
173.00888	16.6
173.04536	2.9
174.01686	100.0
175.02390	8.0
177.05557	1.5
183.13884	2.6
205.12256	5.1
207.13768	2.1
211.13362	29.0
212.13666	2.3
223.13359	13.6
224.13763	2.4
235.13365	2.8
237.11252	1.7
237.14857	1.3
245.11769	2.4
251.12892	2.0
261.11362	1.5
263.12811	4.6
267.12326	13.3
275.12866	2.1
279.12338	5.1
293.14053	2.2
305.13974	3.2
307.11856	19.5
308.12085	1.4
325.12680	3.1
337.12875	2.1
349.12967	5.7
367.13937	58.5
368.14197	6.5
385.15005	4.0
386.14426	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	385.114
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01381	23.1
61.98830	5.8
71.01394	7.0
71.54489	4.8
75.00884	4.4
84.47520	2.9
85.02946	6.7
87.00887	4.8
89.02425	4.1
93.03478	7.2
101.02444	6.3
109.02999	3.2
113.02487	3.6
115.00393	8.6
121.02980	5.9
123.04551	3.4
135.04521	3.1
147.04659	2.8
149.02455	32.9
152.01212	6.2
163.03964	5.1
164.04800	21.5
173.04588	11.8
174.01714	53.9
174.03215	5.1
175.02385	6.5
176.04793	59.8
178.06406	6.6
179.07140	8.8
185.34587	2.6
188.04807	5.0
191.05531	7.1
191.07141	56.8
191.08846	2.8
193.01434	9.5
193.08673	3.7
205.05226	2.7
208.03728	30.1
211.03816	2.9
213.08641	3.1
221.08173	18.4
223.06140	64.6
224.06458	5.3
235.06049	14.9
261.99054	2.9
265.07346	4.7
281.10287	3.0
295.08252	10.0
325.09277	40.9
365.81165	3.0
385.11447	100.0
385.15765	6.5
386.11716	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	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58215	0.4
56.30342	0.4
59.01381	100.0
60.01706	0.9
61.98836	0.7
70.88030	0.8
71.01397	0.9
74.98000	0.5
78.55016	0.5
83.01420	0.6
93.03448	5.4
93.03925	0.4
98.20631	0.5
113.02489	0.7
137.02448	11.7
138.02841	0.4
149.02455	0.4
281.06696	4.0
348.31219	0.5
370.83859	0.4
383.10324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64024	0.8
57.72275	0.8
59.01365	1.5
69.67043	3.3
69.67456	1.8
71.01380	1.3
72.63058	0.8
72.99303	0.8
78.11963	0.8
78.22005	0.7
85.02950	6.2
87.00875	3.4
93.03458	1.6
98.20580	1.6
111.04459	1.1
114.23884	0.8
127.03996	2.3
135.74402	0.8
173.04465	1.2
176.06778	0.8
190.59499	0.7
191.05600	100.0
192.05902	4.6
203.13637	0.7
227.23309	0.8
228.97482	0.9
266.99655	0.8
285.21329	0.8
314.90015	0.8
366.36029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01382	4.9
61.98820	0.9
65.46878	0.4
71.01377	1.3
71.03046	0.4
71.03369	0.8
82.06760	0.4
83.05016	0.6
83.72357	0.4
85.03004	0.4
89.02450	1.3
91.04004	2.8
95.05038	0.6
97.06585	1.5
99.04542	0.4
106.58959	0.4
109.06567	0.6
111.08163	1.5
113.09730	2.3
115.07642	0.8
121.10243	0.5
125.06070	0.6
125.09673	0.6
126.06841	0.7
139.11275	0.9
141.09219	1.4
149.09558	0.4
151.11235	0.4
154.09915	0.5
163.11209	0.4
165.12845	2.9
166.13048	0.4
167.10818	0.7
167.14389	1.7
171.10312	0.5
181.12328	3.0
183.13876	1.2
193.12337	1.3
193.15968	0.6
195.13895	2.4
197.11816	3.9
209.11792	0.5
209.62404	0.4
211.13420	4.1
213.14989	0.6
221.15378	2.0
229.14378	0.6
240.13652	1.0
241.14360	0.7
245.02533	1.0
247.02704	0.4
247.20584	3.6
248.21048	0.4
263.20215	0.7
265.21689	0.8
273.18570	3.0
281.21213	1.3
285.04031	0.4
291.10953	0.9
291.19656	36.6
292.19989	3.7
309.20709	100.0
310.21060	11.6
311.22314	1.3
313.16626	0.6
314.17316	1.3
327.65802	0.4
383.16452	0.7
383.24399	10.3
384.24673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01385	4.6
61.98829	20.4
62.12484	0.4
66.91426	0.4
67.43739	0.4
69.03439	0.6
69.79133	2.6
71.01376	2.3
73.02913	0.7
83.55632	0.5
85.02932	2.3
88.04048	0.6
89.02430	2.0
93.03453	2.0
97.02985	0.8
101.02442	1.4
101.27422	0.5
109.02895	0.5
111.23587	0.4
113.02446	0.6
119.03472	0.6
121.02959	5.4
135.04536	4.1
137.02441	1.0
149.02432	39.8
150.02777	2.0
151.04015	1.1
152.01132	7.2
163.04015	6.8
164.04785	33.9
165.01913	1.7
165.05113	1.4
167.03487	1.2
167.05832	0.5
169.05048	2.8
173.04520	1.7
179.03577	0.6
179.07127	11.4
180.07474	0.6
181.05066	1.0
181.08653	1.3
193.01396	17.2
194.01619	0.7
208.03749	40.0
209.04178	2.2
223.06099	100.0
224.06422	6.4
265.07214	0.6
267.08719	1.7
276.55087	0.4
307.08176	1.6
325.09003	0.7
346.52533	0.5
385.11337	2.8
385.15714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73796	1.3
55.00449	1.4
56.17383	1.4
57.03434	1.3
58.04671	1.3
59.01371	26.2
60.99295	1.6
61.98814	10.1
68.80800	1.5
68.99801	2.2
70.68979	3.6
71.01389	7.6
72.99302	9.5
73.23650	1.3
74.06010	1.4
75.00861	1.7
82.12949	1.4
85.02940	3.5
87.00867	5.4
87.04514	7.9
89.02428	3.0
93.03421	2.0
96.96004	1.4
99.00866	5.9
99.26510	1.4
101.02412	3.2
111.00890	7.5
112.98801	46.6
113.02444	3.9
113.99588	19.5
119.03481	1.4
119.05014	13.9
121.02956	2.0
124.21800	1.3
124.98798	2.7
126.63966	1.5
127.00385	2.0
128.01129	5.4
129.01923	3.5
133.02983	2.0
135.04517	3.7
141.99043	8.1
142.99834	4.7
148.41637	1.7
149.02415	1.8
161.02435	28.1
163.04018	10.2
171.98705	2.4
172.00121	33.7
173.00781	2.4
173.04538	2.8
176.04816	16.6
179.03497	41.4
179.07014	2.0
185.02130	9.3
189.01927	1.9
191.05614	2.8
191.07144	7.7
192.00552	1.7
194.02107	1.9
194.05824	54.0
195.06168	3.3
203.03571	1.7
204.04175	3.2
205.05022	1.7
207.06519	3.5
208.78908	1.5
209.04601	6.0
209.08168	100.0
210.08463	6.7
221.04485	2.0
232.03690	3.6
235.06078	3.4
247.05936	2.5
251.05542	2.3
265.07281	1.8
279.08731	19.5
281.06570	4.3
281.10336	1.7
323.07663	69.1
324.07956	8.7
339.10822	6.6
353.08664	6.6
383.05151	4.5
383.09793	16.8
383.14215	3.3
384.10110	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	382.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21294	0.3
59.01382	100.0
60.01723	1.0
71.55783	0.4
89.14510	0.3
104.03568	0.3
111.76491	0.3
124.65124	0.3
145.62685	0.3
183.01320	0.3
243.28409	0.3
243.53554	0.3
273.52118	0.3
296.21313	0.3
321.23535	0.3
322.27582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
71.01382	1.6
73.34954	0.4
75.87947	0.4
85.02946	7.2
87.00861	1.9
93.03442	2.4
101.02420	0.6
109.02891	0.6
111.04528	0.8
115.00374	1.6
127.04021	1.6
129.01953	0.7
173.04506	0.7
191.05603	100.0
192.05965	4.5
370.71768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21498	0.2
59.01379	13.6
61.98830	0.6
68.70152	0.2
70.99474	0.2
71.01363	0.6
71.55056	0.3
72.99279	0.2
73.02949	0.3
87.00858	0.4
88.98811	0.8
89.02431	0.3
95.05053	0.3
96.96001	0.3
101.02423	0.5
113.02467	0.3
113.99612	0.3
117.03481	0.5
119.05033	0.4
123.04524	0.3
126.24905	0.3
133.02968	2.8
135.04510	0.6
145.75958	0.2
148.07658	0.3
149.02283	0.2
161.02440	100.0
162.02791	5.7
163.04025	0.4
176.03551	0.6
177.03868	0.8
179.03513	0.6
191.05621	0.4
194.05763	0.3
204.02940	0.3
209.08186	0.9
210.07684	0.5
230.27757	0.2
242.17183	0.2
245.00963	0.6
323.17041	0.4
365.05386	0.3
383.06137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01715	1.0
60.46546	1.0
69.01105	1.0
69.26746	5.3
69.27174	4.2
78.95882	4.3
91.73201	1.1
122.82553	1.3
125.08270	1.1
152.99556	9.2
217.00319	5.3
381.03418	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	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56638	0.7
59.01370	3.4
71.11365	1.1
76.42700	0.7
78.95908	4.6
151.11328	1.0
152.94180	0.7
152.99580	8.9
153.12862	3.5
163.11301	1.8
165.12790	4.9
170.05844	2.3
172.16595	0.9
179.10777	11.7
181.12325	36.6
182.12634	3.2
195.10274	2.3
197.11824	3.9
199.13383	100.0
200.13702	6.1
215.12845	2.4
217.00328	1.4
363.25311	6.6
381.26675	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	382.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34856	0.6
59.01378	4.4
61.98821	1.9
71.01379	34.2
71.08443	1.6
84.10030	0.6
85.02975	1.1
87.00850	0.8
89.02454	1.6
96.96032	1.0
101.02459	1.0
113.02436	1.3
114.05615	1.8
115.00370	100.0
115.04030	2.2
115.05978	0.9
116.00710	2.3
134.04724	2.1
161.04631	0.8
162.52983	0.7
177.80769	0.6
184.52116	0.7
191.05611	5.0
251.11285	1.1
341.11063	0.8
386.83041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78332	0.8
50.93190	0.9
59.01373	6.7
61.98827	100.0
69.67514	0.9
69.76768	4.5
71.01368	1.8
74.02455	1.8
78.95889	1.0
93.03452	1.4
96.96036	1.4
97.04095	1.2
98.19977	1.2
100.00402	3.3
111.05682	1.0
129.10353	3.0
137.07198	2.2
147.04485	1.1
155.04631	2.2
164.07156	2.3
171.10153	1.5
171.11407	2.5
173.04536	1.8
191.05737	1.0
230.00859	1.0
233.16571	1.8
249.16344	0.9
282.11575	1.8
286.42584	1.4
287.14212	0.9
305.15042	2.6
309.73383	0.9
319.16586	11.0
320.17001	1.6
338.19788	1.1
341.19724	1.2
344.21869	1.0
349.14017	1.7
382.10110	2.9
383.12576	2.8
383.20563	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58266	0.2
55.01882	3.3
56.13110	0.2
57.03446	2.2
58.00585	0.9
59.01379	23.4
60.01703	0.3
61.98823	0.5
69.03456	0.6
69.97379	0.9
71.01382	30.6
72.01734	0.6
72.99307	1.5
73.02948	13.9
75.00873	0.7
81.03446	0.3
83.01385	7.5
84.01716	0.2
85.02952	16.8
85.06589	0.4
86.00111	0.7
86.03297	0.2
87.00864	1.7
87.08157	0.7
89.02448	5.5
95.01407	1.9
97.02949	1.3
99.00877	6.0
99.01534	0.3
99.04535	0.3
100.01208	0.3
101.02444	35.9
102.02779	0.8
111.00858	1.0
113.02452	13.2
114.02808	0.3
119.03513	0.5
120.50939	0.2
125.02455	1.3
129.01942	1.2
131.03519	1.5
134.76547	0.2
143.03511	1.5
149.04543	0.7
153.96239	0.2
157.08684	0.5
159.03009	2.7
161.04555	13.2
162.04958	0.3
191.05615	0.3
205.03506	0.5
206.49283	0.2
233.06731	0.5
249.13423	100.0
250.13776	7.2
293.12384	0.9
381.17639	20.0
382.18008	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23412	0.3
51.38641	0.3
59.01381	100.0
60.01706	1.2
60.09434	0.3
61.98825	1.5
69.75534	1.7
86.91401	0.3
98.19923	0.6
102.17902	0.3
104.37054	0.3
152.99579	0.5
274.08600	0.4
279.14548	0.4
391.57129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
57.03442	2.4
58.00592	0.8
59.01371	20.5
59.56120	0.2
61.98831	1.4
62.78810	0.3
69.03450	0.6
71.01376	31.1
71.56415	0.4
72.01709	0.7
72.99306	1.1
73.02940	14.7
75.00859	0.8
81.03440	0.3
83.01380	7.8
84.02171	0.3
85.02943	17.9
85.06596	0.6
86.00085	0.8
87.00881	1.3
87.08144	0.5
89.02433	4.5
95.01390	2.4
95.88853	0.3
97.02947	0.8
99.00871	6.1
101.02434	37.6
102.02783	0.9
111.00867	1.3
113.02441	13.2
114.02780	0.4
119.03557	0.4
125.02421	0.9
129.01907	1.0
130.90105	0.3
131.03455	0.9
133.02882	0.4
138.92039	0.3
143.03497	1.7
149.04483	0.6
159.02959	2.4
161.04546	14.9
173.04535	0.4
191.05699	0.4
205.03546	0.4
246.52390	0.3
249.13399	100.0
250.11090	0.5
250.13734	6.4
293.12503	0.6
381.06479	0.6
381.17575	10.8
382.17941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59761	0.4
59.01382	100.0
60.01715	1.8
61.98838	4.0
69.58833	1.4
69.59264	2.2
71.01391	4.2
85.02960	1.3
88.98756	0.7
89.02442	3.1
90.02777	0.6
91.02891	0.6
93.03466	1.1
94.04736	0.5
99.00879	0.8
101.02463	2.6
106.65094	0.6
113.02482	1.4
119.03502	0.9
126.03687	0.6
138.64207	0.5
149.04631	0.7
161.04573	0.9
163.04034	0.6
173.04581	1.6
174.05025	0.8
177.01970	2.8
188.07439	0.6
191.05591	0.7
279.14566	4.0
321.15506	3.0
361.99286	0.6
381.17175	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	380.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15295	3.5
58.55331	3.2
59.01378	49.7
61.98829	11.2
69.47821	6.4
69.48230	21.0
71.01374	4.2
74.48674	3.8
80.91680	5.5
89.59939	4.5
93.03453	6.1
95.05008	4.7
96.95969	4.9
112.25292	3.6
112.70300	3.5
115.00338	7.3
118.57979	4.1
135.04572	4.3
159.23161	3.9
168.26454	3.2
174.99142	10.6
184.23059	3.5
184.59167	3.3
194.48892	3.7
195.13850	5.1
197.11809	5.3
212.36227	3.7
217.00323	31.9
223.13353	13.1
266.97687	4.1
279.09180	9.4
321.10187	54.1
381.12329	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	380.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83205	0.5
59.01377	100.0
60.01723	0.9
62.19031	0.5
63.17770	0.6
69.76998	2.7
73.51539	0.6
78.42004	0.6
78.95906	0.8
87.20951	0.6
126.31116	0.5
129.71898	0.6
152.99625	1.6
162.20332	0.5
169.02629	0.6
248.03360	0.6
305.32471	0.6
320.25952	0.9
334.37701	0.6
342.36600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27797	68.9
61.98828	100.0
64.88028	69.0
71.55630	68.9
78.55589	72.4
84.15543	63.2
86.87948	79.0
117.42378	79.9
118.65178	71.4
118.97915	77.8
122.03480	72.5
128.84990	80.7
153.34454	67.6
172.07693	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1559
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.86403	0.5
58.00601	0.6
59.01378	21.9
60.01698	0.8
61.98820	2.2
69.94055	2.0
71.01382	33.2
71.05007	6.8
72.01723	0.9
72.99297	1.1
73.02936	1.5
83.01388	1.0
85.02954	3.6
86.16492	0.5
87.00838	1.1
88.04039	5.2
89.02435	10.7
91.87360	0.5
95.01327	0.8
96.96011	0.8
99.00844	1.2
99.04498	1.9
101.02446	8.5
113.02434	4.5
116.07143	0.8
119.03497	2.3
128.07166	1.6
135.04544	0.6
137.02403	0.9
141.06731	0.5
146.08229	56.3
147.08585	1.6
149.04541	0.6
161.04546	2.2
176.52829	0.6
200.09210	0.9
217.00227	1.4
245.08623	0.7
308.13467	6.0
311.56824	0.6
329.70474	0.6
362.14554	1.4
380.15579	100.0
381.15967	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	379.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	7.1
61.98826	100.0
71.56290	2.3
83.38819	2.0
93.79974	2.0
96.95996	3.0
156.22429	2.0
229.71167	2.6
237.14912	8.6
259.56711	2.2
260.65115	2.6
275.20120	30.0
276.20596	2.6
305.21338	2.3
307.22717	31.5
379.19128	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	379.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08362	8.9
59.01374	32.7
61.98807	24.6
68.52125	9.6
69.21246	100.0
91.72530	9.5
180.22614	9.5
221.14963	12.4
247.94211	9.6
249.14848	10.5
270.72171	13.2
321.41580	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	379.2275
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
59.01369	1.3
61.98821	1.1
63.60976	0.3
68.77307	0.4
71.56827	0.4
71.62630	0.3
91.05541	0.5
93.03432	0.7
95.05037	2.1
96.96017	1.0
105.07098	1.5
106.04253	0.8
107.05028	0.5
108.14670	0.3
109.05894	0.5
109.06589	7.2
119.05025	2.8
121.02952	1.9
122.03745	3.5
123.04494	0.4
125.56691	0.3
132.05820	6.5
133.06602	3.8
135.04527	6.3
136.05307	2.2
145.06589	0.4
147.04529	2.0
148.05266	0.8
149.06076	7.6
161.06071	0.8
161.09695	2.9
164.04781	5.3
174.10455	1.2
177.09192	0.6
179.10759	0.4
187.11272	28.6
188.11627	2.3
189.09222	4.0
189.12830	3.3
190.09811	0.3
191.10692	0.6
200.12051	0.4
203.10747	4.6
205.12360	1.3
206.09401	1.3
221.40990	0.3
267.10281	1.1
269.15463	0.7
281.11874	0.4
311.16495	5.8
312.16971	0.7
323.16449	1.3
335.23700	1.1
347.22177	0.4
379.22748	100.0
380.18192	0.8
380.23083	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	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05667	0.4
57.03469	0.5
59.01376	100.0
60.01715	1.1
61.98822	3.5
71.01383	7.1
71.51948	0.6
72.99303	0.5
73.02946	1.1
74.07949	0.5
75.00888	0.6
75.74866	0.4
75.81736	0.5
83.01402	0.5
83.05034	0.5
85.02963	1.9
87.00864	0.9
89.02433	8.8
89.46594	0.5
91.03986	0.5
93.03460	1.2
99.00874	0.9
101.02440	4.6
111.08181	1.5
113.02443	2.8
119.03494	4.2
133.02986	0.7
135.04578	0.7
143.03517	1.1
149.04562	0.7
159.04631	0.6
161.04582	2.0
164.58147	0.5
173.04579	1.7
173.08232	1.2
179.05640	3.0
180.06741	0.5
187.03969	0.5
189.01993	0.8
191.03668	0.9
191.05673	1.3
201.11331	3.0
209.11810	4.4
210.12238	0.5
277.03503	1.1
319.17651	2.4
341.10861	1.7
379.08060	1.7
379.15466	0.9
379.19855	5.3
380.20224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65441	0.4
54.61741	0.4
59.01376	100.0
60.01718	1.1
61.98839	0.7
64.47930	0.4
66.59775	0.4
70.29597	1.1
70.29990	0.6
71.01366	3.0
73.02943	3.2
83.01383	1.2
87.00882	0.5
89.02456	1.7
101.02433	3.9
101.03031	0.5
101.04601	0.5
108.84761	0.4
113.02426	2.0
118.41608	0.5
119.03502	0.8
134.03758	0.8
135.04518	47.1
136.04863	3.0
137.05042	0.9
137.06032	0.9
149.04558	0.5
161.04591	1.5
161.10001	0.4
178.59683	0.5
179.03484	2.7
181.05058	2.0
199.09669	0.5
210.72835	0.4
297.09793	2.4
319.14111	1.3
333.21036	0.5
341.08624	6.8
342.09366	0.9
343.10110	1.4
379.05859	2.2
379.16229	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	379.1606
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01884	1.9
57.03444	1.5
58.00592	4.1
58.02989	0.9
59.01377	100.0
60.01717	0.8
61.98827	2.2
66.77680	0.6
69.84994	1.9
69.85406	2.0
71.01379	65.1
72.01717	0.9
72.99310	3.4
73.02944	8.3
80.47916	0.6
82.12817	0.6
83.01373	3.6
83.05025	1.3
85.02950	14.2
87.00874	3.3
89.02441	83.4
90.02773	1.0
93.03482	2.0
95.01388	3.6
96.49808	0.6
97.02968	0.6
99.00864	3.1
101.02441	40.7
102.02788	0.8
103.09917	0.6
113.02447	25.3
114.02794	0.8
119.03500	27.9
120.03868	0.7
125.02445	2.2
131.03499	12.6
132.03825	0.7
137.09723	1.0
137.71562	0.7
143.03508	6.4
144.03766	0.7
149.04549	21.3
155.10789	5.1
157.08659	2.8
161.04565	10.9
173.04568	5.4
179.05597	23.3
180.05920	0.7
181.08739	0.9
181.65907	0.6
191.05586	5.8
199.09752	7.8
206.08174	2.1
217.10811	1.5
247.11842	18.9
248.12250	1.1
253.75037	0.7
296.99173	0.9
319.14078	3.0
319.17392	0.9
337.18680	1.1
341.11142	0.7
379.16068	32.3
380.16409	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	379.1576
Annotation	DMH-1
Peak:m/z	Relative Intensity
59.18256	0.5
61.98814	1.2
70.88255	1.7
76.04752	0.6
84.93905	0.5
96.96004	0.8
99.20823	0.5
99.92576	74.5
100.91602	0.6
100.92587	3.9
100.93365	2.6
115.92067	29.9
116.92850	100.0
117.65936	0.6
117.92885	5.0
117.93670	0.7
117.95258	0.5
120.76816	0.6
140.18465	0.5
150.67383	0.6
264.05048	0.6
279.23395	1.4
285.20090	0.5
334.88043	0.6
335.16702	0.8
335.61844	0.6
367.15497	0.7
375.12631	2.0
379.15784	66.7
379.28409	8.5
380.15958	9.6
380.28967	0.7
393.13843	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69002	0.4
59.01377	100.0
59.16824	0.4
60.01716	1.1
61.61024	0.4
61.62676	0.4
61.98821	0.7
62.06968	0.4
69.20329	3.8
71.01377	4.3
73.02947	3.1
75.00881	1.3
82.69579	0.3
83.01370	0.5
84.95099	0.4
85.02951	0.6
87.73797	0.4
89.02444	3.3
101.02429	3.6
113.02453	2.4
117.92558	0.4
119.03520	1.2
125.02519	0.4
131.03516	0.4
135.04520	22.3
136.04880	1.5
137.06120	0.5
143.03502	0.6
161.04581	1.5
168.14618	0.4
179.03506	1.7
181.05107	1.7
217.10854	0.4
269.68872	0.4
297.09805	0.8
319.13837	3.3
341.08505	4.0
343.10254	0.8
348.90387	0.4
374.51053	0.5
379.07767	0.4
379.15918	2.3
379.25381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.8
61.98830	100.0
71.01378	1.6
71.56275	1.2
84.52559	0.7
93.03471	1.4
96.95950	0.9
101.02464	1.4
113.02535	1.2
116.63580	0.8
132.23817	0.7
139.04010	5.3
141.17413	0.7
167.02127	2.3
167.36240	0.9
173.04504	0.9
179.10802	1.9
179.48967	0.8
191.05594	1.3
197.11823	14.0
210.12158	1.3
232.45332	0.8
241.10843	2.0
315.14481	23.4
316.14978	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	378.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.6
61.98829	100.0
71.01369	0.9
80.76558	0.4
93.03452	0.6
99.00894	0.7
103.44868	0.5
113.02473	0.4
120.99668	0.6
139.03970	0.5
173.04549	0.5
179.10770	1.5
191.05650	1.0
197.11818	11.0
198.12196	0.9
200.74426	0.5
215.67480	0.5
241.10887	2.1
242.30299	0.7
258.11453	0.7
315.14444	15.8
315.17950	0.9
316.14890	1.5
379.20853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65842	1.6
59.01367	7.5
61.98827	100.0
62.33279	1.8
70.28683	3.7
70.29050	3.5
70.51981	1.7
71.01360	4.4
88.26272	1.7
96.95960	2.2
109.06559	3.1
109.46052	1.8
124.64474	1.6
140.72311	1.7
162.20317	1.5
163.11240	1.8
176.57664	1.7
196.69569	1.7
207.10272	4.1
233.16113	1.6
277.20920	1.8
281.34265	1.8
295.21924	4.6
310.72894	1.9
317.20117	4.1
321.67383	1.8
340.99539	2.0
377.20111	5.5
378.18533	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	377.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71504	11.4
53.10467	12.5
59.01372	19.0
61.98800	13.2
69.40198	100.0
82.76437	11.6
98.19981	26.9
105.81332	11.9
109.06548	16.9
109.27489	11.7
184.13173	11.7
207.10316	16.4
211.85646	13.3
278.78726	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	377.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
59.01375	13.8
61.10668	0.7
61.98813	0.9
63.58608	0.8
79.52856	0.7
79.95693	0.8
87.67810	0.8
95.05020	7.7
95.17789	0.7
96.96104	0.9
98.20747	1.6
111.39834	0.7
113.09711	2.1
122.98553	0.7
155.56775	0.8
181.12335	0.8
195.13879	19.0
196.14296	1.2
217.11943	1.8
230.42133	0.9
232.07086	0.8
246.12369	1.4
249.06290	1.0
249.11061	1.1
249.22154	1.4
263.07669	0.8
277.21701	17.4
278.11273	5.2
278.21924	1.8
295.22745	100.0
296.23080	8.8
315.19363	1.7
317.20938	51.2
318.21234	4.4
338.12082	1.0
341.10605	0.9
361.19937	6.7
377.22345	12.6
377.26938	18.2
378.22623	1.7
378.27148	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	378.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26269	0.4
51.28737	0.4
59.01379	6.6
61.98827	100.0
70.16010	1.6
71.01379	1.8
72.99287	0.5
85.02950	1.1
89.02454	1.6
96.96024	0.7
98.02459	0.9
98.19928	0.5
101.02466	0.7
111.29264	0.4
113.02486	0.4
119.03510	0.5
123.04499	0.6
135.04529	7.2
136.04842	2.4
148.67331	0.4
153.05565	0.4
165.02693	0.4
181.05058	0.5
319.14243	0.5
328.33530	0.4
341.11298	1.0
342.11697	0.7
378.08694	0.6
378.24872	1.4
379.08154	1.1
379.16153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	87.1
61.98828	10.7
70.69884	6.0
70.70240	3.4
71.01370	22.1
75.00873	11.8
85.02931	6.6
87.00900	4.8
89.02426	10.6
93.03460	6.8
101.02421	7.4
113.02427	6.2
123.77588	2.7
131.04610	7.5
133.01526	5.3
137.09677	13.1
149.02448	16.7
149.04517	4.8
150.03142	4.6
150.04198	7.2
155.10767	100.0
156.11069	6.3
164.04779	3.2
165.05583	5.0
171.10266	32.5
173.04485	12.1
173.11789	5.2
179.05609	5.2
181.08733	6.7
191.05553	7.0
199.09695	25.4
209.11766	9.5
215.03311	5.9
217.10802	43.7
218.11125	3.8
225.11288	6.4
255.02983	4.0
273.13425	24.1
291.14499	99.7
292.14960	6.1
314.11237	4.2
329.13889	10.9
333.15521	47.4
334.15924	4.3
335.16937	4.5
341.10989	19.8
377.08771	21.7
377.17746	8.9
377.21808	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	377.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
58.02984	4.5
59.01373	9.0
61.84441	0.8
67.66680	0.7
68.01414	0.9
69.50240	6.1
70.02980	9.1
71.01374	3.8
85.04060	1.4
87.05638	0.8
89.02462	1.2
93.03426	1.2
95.05016	1.5
96.00910	60.4
97.01239	1.0
101.02426	1.1
108.04554	1.2
109.02949	3.6
110.06113	1.3
113.03576	6.6
114.01961	17.8
114.02721	1.3
119.08649	1.0
121.06552	1.1
123.04356	0.8
125.06086	12.5
131.04617	5.2
135.08153	1.1
136.05302	4.4
137.09689	1.7
138.06815	0.9
139.07626	2.4
148.05324	2.4
149.06084	4.9
150.04199	2.1
151.07646	3.0
152.08388	1.3
155.10838	1.8
161.09819	0.8
162.09235	3.1
163.07666	2.7
163.11256	2.2
164.07082	1.0
165.09160	3.2
173.04497	1.5
177.09212	1.1
177.12804	1.2
180.10312	1.1
188.08348	1.2
189.09195	2.0
191.05513	1.5
201.12836	17.5
202.13234	0.8
203.10762	10.8
203.14412	1.0
204.11543	12.6
207.10208	1.0
217.12459	1.0
219.13881	22.2
220.14133	2.6
225.11147	0.8
230.09398	4.0
244.13417	6.7
245.11766	10.3
247.12056	2.2
262.14401	7.4
318.15759	3.2
333.18311	4.6
341.11118	1.1
359.16077	14.7
360.16385	1.4
377.17163	100.0
378.17453	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	377.1419
Annotation	Go 6976
Peak:m/z	Relative Intensity
50.93533	0.4
51.75453	0.4
55.80636	0.5
61.98829	1.3
62.75266	0.5
64.33377	0.5
65.06998	0.5
66.59186	0.7
67.14462	0.5
69.45531	1.9
69.45963	2.0
78.91531	0.6
79.63920	0.5
79.86067	0.5
84.93874	0.6
84.96854	0.6
98.19810	0.8
99.92580	79.6
100.92600	4.4
100.93375	2.7
115.92076	39.8
116.92855	100.0
117.92873	5.9
131.91579	0.9
155.76772	0.6
224.05688	0.6
228.00972	0.9
277.21765	1.8
290.06110	0.9
299.05814	1.0
308.07214	2.2
315.14081	0.9
333.15167	1.1
359.13251	2.0
373.11115	3.4
374.11655	0.7
377.14218	47.5
378.14432	8.2
391.12143	4.7
392.12656	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	376.2341
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
57.03452	3.9
58.00602	0.3
59.01376	3.6
61.98832	2.3
66.03482	6.3
68.01418	0.8
69.03470	1.3
69.41965	0.4
69.48664	2.2
70.02975	5.5
71.01381	6.8
73.02945	9.7
74.02431	0.4
80.05052	0.5
81.02190	0.6
82.02976	1.1
83.01379	0.4
83.05041	0.4
84.04535	0.9
85.02955	1.4
86.02493	1.5
87.04501	3.1
89.02453	1.3
92.05073	0.5
93.03465	0.5
94.02991	3.5
96.04556	11.1
98.02481	29.4
99.02809	0.5
100.04049	3.1
101.06115	0.5
112.04064	2.4
114.05584	1.0
115.07652	0.5
116.04790	0.8
123.08141	0.5
125.09772	0.5
127.11274	0.6
128.03528	0.5
130.05101	1.9
134.03757	0.8
135.04529	50.6
141.60060	0.3
149.09703	0.3
151.04027	0.9
155.10774	3.3
169.12343	0.6
173.04524	1.0
179.03532	3.2
185.11862	1.4
195.13853	1.8
204.13931	1.5
220.13316	0.9
222.14899	0.7
225.14978	1.1
234.15080	0.9
243.15987	10.1
244.16637	0.6
250.14682	0.5
288.18060	2.2
292.18927	0.9
297.09763	2.7
308.18692	1.7
310.20096	0.7
317.18402	0.6
318.19470	0.9
322.20193	0.7
322.63159	0.5
326.19769	0.7
341.08603	10.4
356.20822	1.7
358.22269	0.8
376.23389	100.0
377.06717	1.8
377.14066	0.8
377.23724	11.2
377.28522	0.8
379.34335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21743	0.3
57.03447	1.0
59.01382	3.0
61.98824	0.8
63.00142	0.3
66.03487	1.4
67.01922	0.2
68.01424	0.4
70.02991	1.3
70.87271	0.4
70.87615	0.6
71.01376	2.4
73.02950	2.6
82.02982	0.5
84.04554	0.3
85.02952	0.5
86.02517	0.3
87.00864	0.3
87.04527	0.8
89.02445	1.0
93.03467	1.4
94.02989	1.0
94.38133	0.3
96.04550	2.2
98.02472	7.0
98.20599	0.3
98.43586	0.3
99.02797	0.6
100.04057	0.6
101.02457	0.6
107.05023	0.3
112.04009	0.7
113.02457	0.8
117.10911	0.2
117.14101	0.3
119.03532	0.3
120.08231	0.3
124.89085	0.3
134.03728	1.4
135.04521	100.0
136.04861	4.7
137.02400	0.6
141.09274	0.5
143.03566	0.3
143.07104	0.8
151.03951	1.4
155.03455	0.4
155.10828	0.4
170.60002	0.3
173.04532	4.8
174.04863	0.4
179.03502	6.7
180.03922	0.3
191.05521	0.3
195.14011	0.4
197.49844	0.3
203.09201	1.2
215.03252	0.6
234.15034	0.3
243.15869	1.4
244.16461	0.8
297.09790	5.4
298.10056	0.5
310.20233	0.4
341.08591	16.4
342.08844	2.2
376.23410	13.2
377.06143	3.9
377.13760	1.7
377.23712	12.1
378.06436	0.4
378.24115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2338
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
52.18264	0.3
55.01885	0.3
57.03453	2.0
59.01367	2.9
61.98828	0.7
66.03487	6.3
66.17035	0.3
68.01409	1.9
69.78449	1.8
70.02573	0.4
70.02975	8.9
71.01379	9.0
71.05040	0.4
72.00902	0.5
72.99297	0.4
73.02552	0.7
73.02947	10.8
74.60396	0.3
80.05059	0.7
81.02167	0.7
82.02979	2.1
83.05025	1.2
84.02180	0.7
84.04543	2.0
85.02943	3.8
85.06588	0.6
86.02486	1.8
87.00864	0.7
89.02466	0.8
92.05072	1.7
94.02971	2.9
96.04550	7.7
97.06570	0.9
98.02473	44.9
98.06124	0.7
99.02792	1.2
99.04497	0.6
100.04047	4.5
101.02424	0.5
101.06081	1.2
106.06609	0.8
108.04562	1.6
109.06580	0.4
109.63788	0.3
112.04024	2.0
114.01957	1.1
114.05605	0.8
120.08176	6.4
122.06087	0.7
123.08175	2.2
124.07686	1.0
125.06080	0.4
127.07632	0.4
128.03552	0.8
130.05070	2.4
132.08199	2.5
135.04503	4.0
135.08127	0.9
136.07674	1.2
137.09708	0.5
139.11203	0.4
141.01622	0.3
148.07655	0.6
150.09238	0.8
150.84337	0.3
152.07242	0.3
153.09195	3.5
154.31097	0.3
167.10783	0.7
177.12886	0.5
179.03510	0.4
179.05612	0.4
181.12323	0.4
186.11224	0.4
187.13408	0.9
195.13913	0.6
207.13855	2.0
215.03345	0.5
225.14969	3.3
239.16470	0.4
243.15997	5.3
244.16505	0.7
259.19037	0.8
260.90088	0.3
280.19131	0.6
290.17572	0.5
292.19202	1.3
308.18646	4.0
309.19229	0.4
310.20206	9.5
311.20401	0.8
320.18481	0.4
322.20227	0.9
326.19699	1.1
328.21228	0.7
331.51764	0.3
336.72260	0.4
338.19693	0.6
340.21365	1.4
341.08469	0.7
341.11221	0.6
358.22284	1.2
376.23364	100.0
377.08701	1.0
377.23700	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	376.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02366	0.4
57.03450	2.1
58.00568	0.4
59.01380	3.9
61.98816	1.5
66.03485	4.6
68.01402	1.1
69.56139	1.4
69.56550	1.0
70.02978	9.1
70.66246	0.4
71.01378	9.9
71.05006	0.8
72.00868	0.5
72.99309	1.0
73.02948	10.3
80.05060	0.4
82.02974	1.7
83.05028	2.7
84.02146	0.4
84.04549	1.1
85.02950	2.3
86.02478	1.7
87.04478	0.4
88.30023	0.4
89.02429	1.2
92.05054	0.9
94.02993	2.0
95.05037	0.5
96.04550	4.1
97.06587	0.6
98.02473	41.4
98.19922	0.8
99.02830	1.2
99.04522	0.4
100.04028	3.8
101.02434	1.1
101.06089	0.8
106.06619	7.5
108.04545	1.5
110.06113	1.2
111.08146	2.1
112.04041	1.0
112.07684	0.4
113.02484	0.4
114.01964	0.9
114.05573	0.7
115.07643	1.0
117.03481	0.4
118.06627	1.2
119.05008	0.5
120.08182	1.1
122.06142	2.7
123.08142	0.9
124.07681	1.1
125.09756	0.5
128.03523	0.7
130.05095	2.8
132.08191	0.5
134.06161	0.5
135.04517	4.7
136.07651	3.2
137.09741	1.1
138.05582	1.1
152.07195	0.4
153.09187	1.0
167.10759	4.4
172.09732	0.7
181.12349	1.1
187.13467	0.5
195.13869	1.2
203.09262	0.5
207.13884	2.2
215.03333	0.4
225.14940	3.7
231.01245	0.5
239.16489	0.5
243.15984	7.3
259.19284	0.7
290.17502	0.6
292.18936	1.1
308.18658	3.8
310.20203	8.7
310.68805	0.4
311.20273	0.8
322.20142	1.2
326.19598	1.0
328.21225	1.9
340.21191	2.0
341.11301	0.9
354.45645	0.4
358.22153	1.0
376.23373	100.0
377.08585	0.8
377.14813	0.8
377.23691	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44933	2.0
56.53489	1.7
59.01383	41.8
61.98799	1.7
66.06139	1.8
69.21933	13.7
69.22342	4.1
73.01314	1.8
80.51704	1.7
105.49598	1.6
113.09752	9.9
121.10245	12.0
155.10484	1.7
171.10283	35.0
185.11914	2.0
195.13905	2.4
231.21153	2.1
239.20203	4.5
275.20172	45.9
276.20529	5.0
293.21234	100.0
294.21490	15.0
315.19394	52.2
316.19757	6.6
361.41211	1.7
375.21533	34.8
376.21686	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	376.2337
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
50.08268	0.4
57.03437	1.6
57.88723	0.5
59.01105	0.9
59.01380	11.0
60.01686	0.9
61.98831	1.8
63.28291	0.5
66.03484	4.5
68.53999	0.5
70.02980	1.9
71.01382	8.6
71.05025	1.0
72.01717	0.5
72.27860	0.5
72.99309	0.6
73.02948	5.5
74.02463	1.6
82.02981	0.6
83.01392	0.5
85.02963	2.3
85.06576	0.6
87.00911	0.7
89.02441	2.9
93.03471	2.8
93.39706	0.5
96.04526	3.0
98.02479	12.4
99.00896	0.7
100.04058	1.7
101.02444	2.9
106.63590	0.5
111.04467	0.8
112.03996	0.7
113.02426	1.6
119.03503	0.9
137.02405	0.5
139.85109	0.5
155.03514	0.6
173.04546	9.8
178.27370	0.5
179.07106	1.9
181.16026	1.1
191.05612	2.7
197.15411	0.7
203.12822	2.2
212.08299	0.8
213.08618	0.9
215.03065	0.7
215.12889	0.8
225.14899	1.5
241.07254	2.5
242.07915	1.3
243.08766	0.6
243.15976	6.9
244.16473	0.5
255.08797	2.4
256.09171	8.2
257.12988	1.3
335.20758	0.6
340.21066	0.6
341.11176	2.5
358.15988	2.9
358.22330	11.4
359.22617	1.6
376.17081	4.8
376.23380	100.0
377.08615	1.8
377.14331	1.2
377.18109	7.9
377.23663	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61565	0.9
59.01374	23.7
70.30375	2.4
70.30776	2.4
76.69082	1.0
80.03395	1.0
80.91671	2.1
88.31934	1.1
95.05024	32.2
99.92562	3.3
133.15887	1.0
189.05293	1.9
190.25250	1.0
195.13867	10.4
205.12198	1.9
217.00218	1.3
220.35149	1.0
223.13327	7.3
246.12282	11.3
256.13196	2.1
275.20081	5.5
278.11322	75.5
279.11743	6.1
293.21213	100.0
294.21570	9.2
315.19351	23.7
316.19843	2.1
338.12198	6.2
339.12595	1.4
358.34335	1.1
372.53534	1.1
375.12823	1.9
375.21652	5.3
376.21664	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	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26000	1.2
57.03432	1.3
59.01383	50.4
60.48727	1.2
71.05016	5.1
87.04534	1.5
88.80636	1.3
97.04680	1.3
152.99529	1.6
209.15512	1.7
215.53041	1.4
217.00243	2.9
223.17024	3.9
231.21165	1.8
235.17039	34.5
236.17410	2.7
275.20169	34.3
276.20453	4.0
293.21234	100.0
294.21564	10.6
322.58777	1.5
359.01212	2.5
375.21555	42.1
376.21759	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.34929	0.4
57.03443	0.6
59.01376	100.0
60.01713	0.9
61.98817	1.2
69.39318	2.2
69.39738	1.2
70.52660	0.4
71.01381	7.5
71.37682	0.5
72.99317	0.9
73.02952	1.9
75.00861	3.1
83.01396	1.6
85.02946	4.1
87.00901	0.9
89.02442	2.0
90.54042	0.5
91.81075	0.5
93.03471	1.4
95.01407	0.5
97.02999	0.8
98.19920	0.9
98.27410	0.5
99.00887	1.4
101.02455	4.9
113.02449	3.3
139.04019	1.2
140.30449	0.5
145.45804	0.5
159.03018	0.5
160.02379	0.5
161.04608	2.7
171.10309	0.7
173.04599	2.1
174.99269	0.5
186.12881	0.5
191.05592	0.8
201.14856	0.6
217.00284	1.3
288.11481	0.5
303.29712	0.5
315.18372	0.9
333.19211	7.3
333.22968	0.8
350.72165	0.5
375.06934	0.6
375.23953	0.6
376.23505	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03458	1.1
58.00594	0.7
59.01382	100.0
60.01712	1.7
67.01894	1.5
69.03493	0.7
69.43903	0.6
71.01384	8.5
71.56246	1.0
73.02951	2.2
74.02462	2.9
75.00878	5.5
83.01403	1.8
83.05048	0.6
85.02963	4.5
87.00918	0.8
89.02435	1.5
93.03464	7.7
95.01391	0.7
95.10225	0.5
95.46007	0.5
99.00877	1.1
101.02455	5.7
103.00410	1.3
111.00917	0.5
111.04574	1.1
111.08164	0.6
113.02443	3.3
137.02472	1.4
139.11319	3.1
155.03571	1.1
161.04601	2.3
173.04552	26.4
174.04938	1.3
183.10289	1.8
189.10358	0.5
201.11388	6.9
213.71445	0.6
257.21359	0.7
272.22293	0.9
312.21994	0.7
312.82785	0.5
315.18146	1.0
318.22849	0.7
330.23187	1.2
333.19186	8.7
334.19705	0.8
340.21213	1.2
375.16446	5.3
376.23419	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03442	0.4
59.01382	100.0
59.23222	0.4
60.01723	1.1
61.61494	0.4
63.60204	0.5
69.41644	3.1
69.42009	1.0
71.01389	4.3
73.02962	2.0
75.00883	0.4
82.69427	0.5
83.01397	1.3
85.02964	2.5
99.00901	0.5
101.02439	4.0
113.02474	2.0
119.03502	0.6
157.25906	0.5
161.04607	0.9
173.04552	0.7
315.18289	0.8
333.19116	4.7
342.74393	0.5
354.60269	0.5
354.73001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52114	5.8
59.01377	100.0
61.98822	11.3
69.37776	14.8
69.38189	37.3
70.66507	6.2
75.41389	6.5
77.34328	6.3
117.98309	8.5
126.62103	6.8
171.10168	8.4
172.14525	6.2
174.99269	15.6
217.00317	82.3
262.87445	6.8
285.04025	8.5
289.17987	16.6
300.21085	6.8
307.19180	16.2
320.27020	7.4
339.21674	25.3
373.73093	7.0
374.99176	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03453	0.5
58.00605	1.6
59.01382	41.0
60.01723	0.4
60.18953	0.3
61.98827	0.6
63.02212	0.3
70.12511	0.3
71.01384	23.3
72.01702	0.3
72.99306	1.8
73.02952	1.3
83.01402	1.3
85.02948	6.1
87.00870	0.7
88.00665	0.3
88.91096	0.3
89.02448	19.5
90.02798	0.3
95.01397	1.8
97.69390	0.3
98.19843	0.6
99.00872	0.7
101.02441	13.4
102.02750	0.3
103.14867	0.3
110.53376	0.3
113.01709	0.6
113.02457	8.3
114.02807	0.4
119.03505	5.5
122.65807	0.4
124.58316	0.3
131.03488	0.4
143.03415	0.3
161.04530	0.4
174.99269	0.4
183.13924	0.8
195.13907	9.1
196.14207	0.9
213.14952	3.3
217.00270	0.9
275.54456	0.3
357.19144	0.6
375.20224	100.0
376.20547	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72535	2.9
72.02969	0.6
74.99081	2.7
75.70128	0.6
80.61350	0.7
93.00079	0.9
97.85950	0.6
111.93932	0.8
126.00246	0.7
143.05345	0.8
159.08453	10.6
161.06386	2.4
209.01297	2.3
217.07300	1.1
225.77965	0.7
275.05853	0.9
277.07553	2.7
279.23239	1.6
289.07483	1.2
291.09088	99.2
292.09183	12.4
328.48538	0.8
357.13766	2.1
359.15323	100.0
360.15500	16.4
375.18454	10.9
376.18713	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66281	0.6
61.98817	0.7
69.35069	5.5
74.99072	2.6
97.58118	0.6
109.03423	0.6
109.67882	0.6
110.92948	0.6
137.02084	0.7
143.05330	0.7
159.08438	9.0
161.06386	2.3
209.01277	2.1
217.07211	0.6
275.05951	1.0
277.07495	2.4
277.21680	0.8
289.07449	1.6
291.09076	95.5
292.09164	13.5
309.09973	1.0
357.13702	2.1
359.15308	100.0
360.15494	18.7
375.18445	10.9
376.18579	2.2
377.16354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.9
61.98831	1.0
70.83920	1.4
71.01378	9.7
75.00870	0.8
80.91699	2.8
85.02954	1.2
94.31528	0.8
96.96007	1.0
99.00864	1.0
113.02454	1.6
124.65000	0.8
127.07681	1.3
138.49036	0.8
151.07626	1.0
164.08388	1.3
174.99214	4.5
177.09215	3.8
190.10008	1.5
192.11526	7.9
205.12323	3.1
207.13843	1.6
217.00298	15.6
218.09483	1.6
220.14670	37.4
221.15440	100.0
222.15805	9.6
230.03278	1.0
235.13371	1.8
236.10515	86.2
237.10851	6.6
273.73480	0.9
285.04120	7.2
291.19638	0.9
293.17572	46.9
294.17938	5.0
318.09613	3.1
321.15350	0.9
375.17792	13.3
376.18109	2.3
376.25253	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48491	0.8
54.40527	1.0
59.01380	4.3
61.98827	100.0
64.79633	0.9
70.60356	1.9
70.60714	1.2
71.35737	0.8
85.70164	0.9
152.89954	0.8
217.00209	1.8
235.17068	3.8
275.20197	8.0
280.41995	0.8
286.63535	0.9
293.21194	7.6
315.19394	9.5
359.18173	1.0
375.20673	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09892	1.4
56.93726	1.5
59.01386	7.1
61.98827	100.0
69.83093	1.7
71.56752	1.8
88.79565	1.4
106.06551	1.5
106.28637	1.5
136.79865	1.3
143.58325	1.4
179.91696	1.6
217.00377	1.9
217.95766	1.4
337.94540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53598	1.4
55.01868	3.5
57.03442	2.0
58.00587	2.8
59.01381	54.4
61.98796	1.3
69.24754	10.9
71.01383	35.5
72.99303	2.6
73.02943	7.5
74.02473	1.8
75.38289	1.1
77.09532	1.1
81.03442	1.4
83.01395	7.2
85.02953	14.2
87.00866	3.9
89.02442	22.9
93.03448	4.6
95.01375	1.8
98.02509	1.8
98.19945	2.7
99.00874	2.5
101.02444	29.2
102.02800	1.7
102.05615	8.4
103.05925	3.2
111.00885	1.3
113.02466	12.9
119.03517	13.5
123.52622	1.3
128.03546	7.5
129.03870	2.4
129.08034	1.1
131.03485	1.3
146.04596	23.3
147.04980	11.6
161.04541	4.4
169.12398	1.9
173.04553	7.6
177.09221	7.9
179.05545	1.5
191.05598	1.5
197.02028	2.6
212.08276	3.5
235.23790	1.1
241.07391	1.8
252.98253	1.3
255.08873	15.6
256.09134	1.6
279.25644	1.1
303.12326	1.5
357.15503	29.8
358.15720	1.5
358.22617	1.3
375.06839	8.9
375.16617	100.0
375.21405	3.8
376.16968	12.8
376.23444	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.24271	0.6
57.03439	2.8
58.63393	0.6
59.01378	89.1
59.60019	0.6
60.01714	1.2
60.61802	0.5
60.99317	0.7
61.37538	0.5
61.98829	0.7
67.01884	4.7
68.81145	0.5
69.03455	1.4
71.01381	10.1
71.56056	1.2
72.99315	2.1
73.02940	2.5
74.02473	5.4
75.00865	11.0
81.03445	1.2
83.01391	1.5
83.05025	2.1
85.02940	4.6
87.00878	1.4
89.02438	1.3
92.45908	0.6
93.02863	1.4
93.03456	26.6
94.03776	1.3
95.01444	0.7
99.00876	1.4
101.02425	5.0
103.00368	3.7
109.02967	0.8
111.00892	2.0
111.04531	4.4
111.08161	0.7
113.02435	3.4
127.03996	0.8
129.72044	0.5
137.02457	6.1
139.11292	13.2
140.11665	0.8
143.03470	0.7
155.03499	6.2
159.02870	0.6
161.04536	2.4
171.10236	0.7
173.04539	100.0
174.04892	4.0
183.10281	5.8
183.13953	0.7
191.05602	1.3
201.11317	28.1
202.11690	1.5
202.23390	0.6
209.19096	0.6
209.27242	0.6
214.62732	0.6
217.00327	1.5
233.87479	0.7
257.21252	0.7
271.19235	0.7
272.22421	1.0
285.25473	0.6
300.21820	1.1
302.23672	0.7
312.21783	0.9
315.18100	1.1
318.22800	1.8
330.22815	2.6
332.93491	0.6
333.19202	7.5
334.19580	0.8
340.21143	1.0
375.16479	20.3
375.20187	1.5
376.17526	1.8
376.23376	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	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34238	0.7
56.87410	0.7
58.40753	0.8
59.01361	1.9
61.98827	100.0
63.34237	0.7
70.70049	2.4
72.56890	0.8
162.19930	0.8
240.41974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47285	1.6
57.74174	1.5
57.78599	1.5
59.01374	56.5
59.86837	1.7
61.98825	100.0
71.55996	2.5
74.20470	1.5
84.25297	1.7
96.96003	1.7
143.94955	1.5
144.77864	1.4
154.38725	1.4
174.99197	4.0
194.92857	1.6
214.97107	1.5
217.00317	20.8
267.73898	1.8
286.86029	1.6
299.54041	1.9
348.67490	1.8
374.24298	2.0
375.25165	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	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.4
61.98826	100.0
62.39269	1.2
71.03523	3.4
87.52734	1.4
93.71384	1.3
96.96066	1.4
119.40421	1.4
136.27374	1.4
152.08121	1.3
154.52010	1.5
161.66434	1.5
164.37738	1.5
174.99179	3.5
217.00291	20.5
232.10858	6.4
290.18835	2.2
374.24438	67.5
374.99124	2.0
375.18082	1.6
375.24832	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	374.2181
Annotation	Bacithrocin B1
Peak:m/z	Relative Intensity
51.82985	0.8
55.01879	1.0
57.03448	9.7
59.01377	7.4
61.98832	1.1
66.03481	14.8
66.97285	0.7
68.01404	2.6
69.03451	1.4
69.78423	2.0
69.78832	2.7
70.02970	14.6
71.01381	16.3
71.05002	2.8
72.00900	1.2
72.04530	3.2
73.02943	47.1
80.05048	3.3
81.03439	2.7
82.02986	5.6
83.01389	1.2
83.05013	3.8
84.02158	1.3
84.04540	3.4
85.02948	12.4
85.06591	1.3
86.02469	5.4
87.04492	1.0
89.02453	1.2
92.05057	13.3
93.03442	1.2
94.02969	4.7
95.05007	1.3
96.04556	11.3
97.06588	2.2
98.02472	67.4
98.06098	4.9
98.20026	0.8
99.02753	1.2
100.04035	6.6
101.02406	4.6
101.06073	2.7
102.05602	1.2
103.04005	2.0
106.06607	1.4
107.05033	1.1
107.08673	4.6
108.04553	22.5
109.06557	3.8
110.06112	3.4
112.04037	1.5
114.01961	1.6
114.05585	2.5
115.07666	2.2
118.96106	0.8
119.05000	2.7
120.04527	3.1
121.05304	2.8
121.06502	1.4
122.06136	8.2
123.08179	4.7
124.07680	4.2
126.05579	1.9
126.34951	0.9
127.07661	1.0
128.03510	1.3
128.07155	2.3
130.05077	2.7
130.33759	0.9
134.06073	1.1
135.08194	1.0
135.97762	1.1
136.07664	9.7
137.09734	6.2
138.05586	0.8
146.04562	2.3
148.07654	3.6
149.09669	3.0
151.03957	1.5
151.11220	1.3
153.09180	1.0
154.08650	1.3
163.03996	2.2
164.07115	2.0
167.10764	13.8
168.11111	1.0
169.12303	1.1
173.04480	1.6
177.12790	1.7
179.10619	1.5
180.10297	1.8
181.12251	2.1
187.11243	1.3
187.13365	3.3
191.14366	1.2
198.11302	1.9
199.13229	1.1
200.99562	2.6
204.13902	0.8
205.12254	3.4
211.11147	0.9
217.00183	1.5
221.15379	3.5
223.13300	2.9
235.13339	1.4
239.16508	9.9
242.15422	1.2
246.13330	1.4
252.16043	7.7
254.17546	1.5
257.17361	1.0
260.16391	2.0
270.17072	2.1
272.16470	5.6
278.17532	2.6
288.16034	2.5
290.17599	81.4
291.17914	8.9
296.18793	1.6
302.17624	6.7
306.17105	1.1
308.18634	100.0
309.18948	9.8
320.14847	1.4
320.18625	27.0
321.18866	3.4
326.19623	7.9
338.19720	20.2
339.19901	2.8
356.20767	29.5
357.20966	3.8
374.21814	27.2
374.26556	1.6
375.05066	2.6
375.22000	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	374.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14846	2.3
55.63037	2.2
59.01375	100.0
59.58348	2.0
61.98832	46.9
64.85651	2.0
65.17324	2.0
69.28574	1.9
71.25397	2.2
74.94368	2.1
96.95992	3.0
217.00320	12.3
314.17548	2.5
314.26852	3.0
375.25262	4.6
379.14172	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	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89378	1.5
55.28002	1.6
59.01382	24.4
61.98816	3.1
69.03456	2.3
71.05021	21.3
71.55264	1.5
71.55754	2.2
75.99114	1.8
86.54915	1.5
97.06585	4.6
107.39020	1.6
139.97495	2.0
181.12325	2.0
207.13863	2.3
219.13831	3.8
255.13820	2.0
257.15265	6.0
289.14117	3.9
291.19666	45.3
292.19925	5.9
313.17841	100.0
314.18253	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
61.22372	0.4
70.07711	1.7
80.02597	0.5
93.03436	2.0
95.05025	0.5
121.62688	0.5
148.08879	1.3
150.10471	1.2
153.23253	0.5
163.11264	1.4
165.12828	24.8
166.13089	1.3
176.12079	0.6
181.47612	0.5
191.14397	0.8
244.10788	4.1
245.19063	0.6
247.20651	11.9
248.21046	1.4
273.18570	7.4
274.18771	0.7
291.19632	100.0
292.19977	11.3
313.17841	15.2
314.18167	1.8
373.19919	17.4
374.20248	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	373.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44267	0.8
57.03432	1.5
59.01378	18.2
70.04699	3.1
91.77940	0.8
93.03441	1.0
93.07109	1.5
95.04996	0.9
96.47358	0.8
97.06596	1.3
98.20049	1.0
111.92164	0.8
121.10234	15.5
122.07381	0.8
122.10502	1.2
123.08154	1.8
125.09693	7.6
132.33919	1.0
141.12880	1.4
147.08160	1.1
185.11816	11.7
191.06831	0.8
197.11751	3.7
207.09947	3.9
209.11887	1.0
211.13322	2.2
217.15912	0.9
223.13298	1.0
227.18077	1.1
232.55562	0.8
245.19084	5.9
246.19347	1.0
259.00867	0.8
273.18576	1.4
291.19644	62.4
292.19955	6.5
295.16733	1.0
311.16135	1.3
313.17822	100.0
314.18155	10.4
352.49741	0.8
373.19205	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.12073	0.7
57.03467	0.8
59.01377	100.0
60.01722	1.3
61.98838	1.9
65.76964	0.6
69.03430	0.8
69.40598	6.1
71.01376	9.6
73.02946	7.7
75.39669	0.7
81.00851	0.8
83.01409	2.5
85.02957	2.7
87.00893	1.0
88.19568	0.7
89.02438	4.4
93.03471	5.0
101.02444	8.4
113.02429	3.8
119.03545	1.7
127.12666	0.6
131.03487	0.8
135.04599	0.9
145.01424	1.4
153.01962	1.3
155.03574	1.3
155.10791	2.1
161.04530	1.1
173.04547	5.3
174.56981	0.7
191.05606	9.4
199.09663	0.9
199.13490	2.3
204.20552	0.7
298.03235	0.8
373.14972	7.4
373.18997	1.6
374.21793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.14997	0.7
55.01846	1.3
57.03444	1.5
58.00586	2.2
59.01382	100.0
60.01714	1.2
65.43501	0.7
67.01865	0.8
69.51529	3.1
69.51934	2.3
71.01382	42.7
72.01702	1.3
72.99307	3.7
73.02955	2.1
74.30872	0.8
81.48341	0.7
83.01390	4.1
85.02948	8.7
87.00878	2.1
89.02449	47.4
93.03474	4.7
95.01395	3.4
96.95947	1.1
98.20634	1.0
99.00888	1.7
101.02450	28.0
109.02878	0.8
111.04508	1.3
113.02451	19.1
119.03506	24.7
122.18588	0.9
123.00886	0.8
131.03491	1.9
143.03493	2.6
149.04556	1.8
152.31755	0.9
153.01894	1.1
161.04547	3.7
173.04544	15.5
173.62544	0.8
179.05579	2.2
193.12291	5.6
199.13335	4.0
211.13326	1.1
215.90590	0.7
216.88092	0.8
229.18036	1.0
233.68536	0.7
244.46449	0.7
271.31357	0.9
313.10660	1.0
313.88065	0.8
331.17563	2.7
373.14212	1.5
373.18628	39.7
373.22314	1.8
374.19019	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01380	100.0
60.01716	1.0
62.52124	0.5
67.01887	3.6
70.02766	1.8
71.01385	8.2
73.02961	2.5
77.49619	0.5
81.03480	0.7
81.43451	0.5
83.01387	1.2
85.02948	1.9
87.00887	0.6
89.02436	3.8
93.03457	20.9
95.01379	1.0
99.00890	0.7
101.02424	3.2
111.00857	1.0
111.04530	4.3
113.02460	3.2
119.03482	1.1
137.02431	5.0
137.09737	2.4
138.27013	0.6
155.03508	4.5
155.10783	19.5
155.12059	1.0
156.11113	0.9
161.04610	0.7
162.78416	0.6
173.04543	91.2
174.04895	5.0
179.05536	0.8
199.09749	14.5
252.17493	0.6
323.72336	0.6
331.17334	0.7
373.14954	12.8
374.15186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28101	0.4
57.03426	1.0
59.01376	95.0
60.01713	1.1
67.01889	4.7
69.03440	1.1
69.16373	0.5
70.03289	1.3
71.01379	7.8
73.02945	3.2
75.09774	0.4
81.03440	0.8
83.01379	0.9
83.05026	0.6
85.02952	2.2
89.02439	3.8
93.03450	26.0
94.03797	1.3
98.19966	0.6
101.02424	3.5
109.02953	1.0
111.00894	1.3
111.04521	4.6
113.02439	2.3
119.03488	1.6
122.06071	0.4
123.00117	0.5
137.02429	5.6
137.09694	1.3
155.03493	4.3
155.10771	21.3
156.11089	0.8
161.04546	0.8
168.34689	0.5
173.04532	100.0
174.04903	5.4
179.05621	0.8
198.08578	0.5
199.09743	15.4
200.10085	1.1
216.30426	0.4
278.46527	0.5
296.58392	0.5
306.49179	0.5
331.17538	1.1
332.35910	0.5
373.14951	15.0
374.15338	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	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.90518	0.3
57.03456	0.5
59.01381	100.0
60.01719	0.7
61.13932	0.4
63.16715	0.3
69.23137	3.3
71.01381	7.8
72.99313	1.4
73.02953	2.7
74.02467	0.8
75.00869	6.5
82.86033	0.4
83.01405	1.1
84.57412	0.4
85.02958	3.7
87.00900	0.9
87.61122	0.5
89.02462	1.7
93.03455	2.1
95.01411	0.5
96.96013	0.6
97.02976	0.7
98.19843	0.9
99.00851	0.8
99.04552	0.4
101.02445	4.4
109.02957	0.4
113.02440	3.6
118.98113	0.5
119.03522	0.4
133.03001	0.8
143.03468	0.7
145.01451	0.8
151.00392	0.5
153.01930	1.9
155.10896	0.5
155.14426	0.5
159.03078	0.6
161.04553	3.4
171.10371	0.6
173.04558	5.1
173.05899	0.6
191.05643	0.5
195.58092	0.4
199.09854	0.5
199.13551	1.2
200.00957	0.5
201.11502	0.7
207.13887	0.5
217.10794	0.5
255.19847	0.5
283.19272	1.8
331.17618	4.5
332.18024	0.6
338.19824	1.0
355.17740	0.6
373.14554	0.5
373.18726	1.5
374.06342	1.1
374.21860	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	373.1688
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
55.38293	0.9
59.01373	6.1
61.98813	3.1
63.96236	57.7
64.97021	1.2
69.98011	0.9
70.88931	2.4
71.01368	1.5
79.95731	100.0
80.96510	23.7
85.02888	1.0
91.17371	0.8
93.03461	1.0
96.95998	5.1
119.98870	3.6
132.99625	2.2
138.62712	1.0
149.02829	1.0
171.10213	4.4
173.06409	5.6
183.13849	8.7
189.05905	25.6
190.06221	1.5
195.13925	1.4
197.11768	1.1
201.11301	5.2
209.11792	1.1
223.17003	2.5
245.08395	1.6
263.09573	1.5
275.20047	2.8
291.19852	2.2
293.21210	16.0
294.21512	1.7
355.15839	6.1
356.16055	1.4
373.16827	49.2
374.17133	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	373.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45036	13.0
59.01389	100.0
61.98818	55.4
64.30896	14.0
71.56226	24.1
72.01566	14.4
81.63911	15.1
90.13126	15.3
95.96829	14.6
96.96017	41.4
106.22038	18.8
162.19740	14.7
173.04335	16.6
192.95813	18.6
263.54233	13.1
265.19345	14.8
373.16586	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	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00940	0.3
57.03459	0.8
58.00572	0.3
59.01376	100.0
60.01704	1.0
60.99304	1.3
67.01887	3.7
69.03461	0.9
69.52729	2.4
71.01377	9.1
72.99316	0.5
73.02943	2.0
75.53330	0.3
81.03458	0.7
82.32851	0.4
83.01384	1.1
83.05030	1.2
85.02950	2.7
87.00874	3.7
88.04012	0.4
89.02435	2.1
93.03454	26.5
94.03805	0.8
95.01401	0.7
97.02974	0.3
97.06507	0.4
98.19874	0.5
99.00876	1.0
99.04488	0.5
101.02444	3.6
109.02935	0.8
111.00900	0.7
111.04521	4.6
113.02445	3.6
115.00394	0.4
119.03522	0.6
127.04028	0.4
131.04599	0.5
132.03018	1.9
135.04477	0.3
137.02411	2.3
137.09749	1.0
145.01505	0.5
153.01924	2.1
155.03474	2.2
155.10767	13.3
156.11092	0.9
161.04575	2.4
173.04533	49.6
174.04893	2.1
176.69220	0.4
179.07133	0.4
191.05586	2.5
198.64850	0.3
199.09740	7.8
200.09988	0.6
215.77393	0.4
229.36980	0.4
313.16504	0.5
331.17612	1.9
351.97495	0.4
373.14972	26.3
374.15231	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39106	0.7
57.03452	1.4
59.01377	73.7
60.01729	0.8
60.69191	0.7
67.01885	5.0
71.01375	7.2
73.02940	3.2
77.25455	0.8
83.01379	1.2
84.83679	0.8
85.02930	1.3
89.02438	2.8
93.02859	1.4
93.03451	26.5
94.03797	1.1
99.00919	0.9
101.02462	2.0
109.02950	1.2
111.04507	5.1
113.02419	2.2
119.03522	1.0
137.02437	5.8
137.09659	1.7
155.03490	4.7
155.10776	19.4
156.11098	0.9
170.49690	0.7
173.04533	100.0
174.04906	4.8
189.37068	0.9
199.09727	14.1
334.25900	0.7
373.14960	13.9
373.19116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.01876	3.4
57.03432	2.4
58.00578	1.7
58.02969	0.8
59.01381	30.5
59.77480	0.6
63.66655	0.6
65.11101	0.5
71.01381	25.3
71.55679	0.8
72.12360	0.6
72.99288	1.5
73.02617	0.7
73.02956	8.1
73.17752	0.7
75.00848	1.0
83.01388	7.3
83.05030	0.7
85.02952	12.6
86.00094	1.5
87.00862	2.2
89.02450	7.8
93.03442	2.6
95.01395	2.2
99.00862	3.2
100.04029	1.3
101.01797	1.3
101.02446	24.9
102.05608	15.7
111.00872	1.1
111.04454	0.7
113.01728	0.8
113.02457	10.3
116.07162	2.8
119.03486	3.0
125.02443	0.7
127.05128	2.4
127.86133	0.7
128.03540	15.2
135.04512	2.0
137.02460	2.1
144.10297	2.6
145.06175	10.5
146.04597	46.4
150.03188	1.9
151.03934	1.8
151.07625	0.6
152.04781	1.3
153.01872	1.4
153.05507	0.7
159.02946	1.5
161.04500	2.2
163.03987	2.8
164.04741	1.8
165.05547	1.5
173.04578	5.5
177.08360	0.6
178.06282	1.1
181.05060	15.6
182.05663	2.3
188.09262	1.0
191.05548	1.1
196.05695	1.2
196.07404	21.6
197.08006	2.2
199.09764	2.5
210.05405	0.8
211.09749	39.5
212.10147	2.0
225.07610	0.8
233.15825	0.7
282.98300	0.7
290.76089	0.8
299.40152	0.6
348.77527	0.7
358.12802	4.2
373.15063	100.0
374.15262	11.5
374.22211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
57.03442	1.6
58.00595	1.7
59.01378	34.5
66.19832	0.9
66.55286	0.7
68.85685	0.7
69.18314	2.8
69.18742	4.6
71.01007	1.5
71.01378	26.3
72.99300	2.6
73.02946	8.4
83.01380	7.3
85.02945	14.1
87.00860	2.3
89.02444	8.6
93.03462	2.0
95.01376	1.9
98.20658	1.7
98.28629	0.9
99.00859	3.3
100.04078	1.0
101.01788	1.6
101.02438	26.1
102.05608	17.3
111.00858	1.4
111.04514	0.8
111.42299	0.7
113.02428	10.5
116.07174	4.8
119.03458	2.7
127.05127	1.4
128.03526	15.8
135.04501	1.3
136.04053	0.8
137.02417	2.8
144.10274	3.2
145.06180	10.2
146.04587	49.9
150.03156	1.9
151.03960	2.3
153.01956	0.9
153.05473	0.9
161.04550	2.5
163.03954	3.0
165.05562	2.3
173.04550	6.6
178.06294	1.1
181.05055	17.4
182.05537	1.7
191.05539	1.2
196.07388	20.4
197.07993	2.8
199.09776	2.7
202.07208	1.0
208.99739	0.8
210.05252	1.4
211.09738	38.0
212.10054	2.8
225.07794	0.9
238.08272	0.7
356.17145	1.0
358.12726	4.5
373.15042	100.0
374.15067	9.3
374.22250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84943	0.6
59.01376	5.6
70.41232	1.7
71.01387	1.5
73.02943	2.2
79.08105	0.7
83.05025	1.6
85.02942	0.8
87.00894	1.0
93.02953	0.7
93.03441	3.8
93.13057	0.6
99.08176	0.7
104.56622	0.8
111.04496	4.7
137.02519	0.9
137.09697	7.2
153.01912	1.1
155.03516	4.3
155.10770	100.0
156.11081	5.2
173.04530	17.2
174.04814	0.8
191.05640	3.3
199.09737	79.4
200.10120	5.3
221.46616	0.6
253.92740	0.7
262.66446	0.6
276.17203	0.8
333.83582	0.7
373.14987	27.9
374.15356	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77620	1.0
61.98832	100.0
70.56091	2.0
100.92050	0.8
112.80981	0.9
169.42773	0.9
258.65057	0.9
263.41653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Citrifoside
Peak:m/z	Relative Intensity
56.51817	1.0
56.94413	0.9
59.01382	14.0
61.42321	0.9
68.99825	1.1
70.39436	3.6
71.01385	12.3
73.02950	2.3
75.00874	3.0
83.01395	1.3
85.02953	4.8
87.00874	4.2
89.02436	5.8
95.01395	1.5
99.00880	1.3
101.02444	8.0
108.02174	29.0
109.02970	13.2
111.00864	1.5
113.02483	5.1
119.03466	2.0
121.07156	1.2
122.03751	8.1
123.00887	6.7
123.04538	19.4
124.01704	5.5
129.02003	1.2
132.02208	2.3
135.00879	1.5
136.01671	2.8
137.02414	4.1
137.06052	6.3
148.01649	2.4
149.02431	0.9
150.02007	2.2
150.03226	40.5
150.40483	1.0
151.03651	2.2
152.01216	0.9
153.02011	1.4
153.05550	2.5
162.03218	1.3
163.04051	1.7
164.01155	3.8
165.01936	41.7
165.05560	7.1
166.02713	17.8
167.03435	5.1
175.03984	1.0
177.01982	4.4
178.02711	36.0
179.03342	4.2
180.04288	1.0
181.05067	38.7
182.05408	2.6
193.05055	100.0
194.05363	6.6
195.02974	4.0
211.06331	1.2
328.07983	11.1
343.10324	100.0
344.10709	9.4
355.06070	1.6
355.10364	22.4
356.10867	2.3
373.11374	52.4
374.11539	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	373.1137
Annotation	Citrifoside
Peak:m/z	Relative Intensity
50.98490	0.6
58.00588	0.9
59.01376	19.4
61.98824	2.2
70.03020	0.7
70.77106	1.0
70.77433	1.0
71.01379	11.0
72.99313	0.9
73.02934	1.4
83.01385	0.8
85.02944	2.0
87.00872	0.7
89.02436	11.2
95.01405	1.2
98.02438	0.7
101.02441	8.4
108.02175	10.0
109.02956	0.9
113.02444	4.7
119.03497	5.5
122.03751	1.4
123.00871	3.9
123.04520	4.8
124.01669	2.9
136.01624	1.6
137.06050	0.7
149.02393	1.7
150.03226	8.7
151.03925	0.6
153.01961	0.9
165.05540	2.2
177.01939	2.1
178.02701	43.0
179.03070	2.3
179.05611	0.6
181.05081	1.0
193.05046	100.0
194.05385	5.7
290.17783	1.2
308.18738	0.9
315.15295	0.5
325.06006	0.6
354.79703	0.7
373.11404	8.1
388.14313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59066	0.4
54.95527	0.4
56.50294	0.4
59.01377	100.0
60.01715	1.4
63.21784	0.4
71.32574	0.7
83.74298	0.5
85.02978	0.6
85.03576	0.4
93.03476	0.5
101.02487	0.5
103.00298	0.4
111.63877	0.5
153.09195	6.3
173.04559	1.4
180.63237	0.5
191.05655	1.1
197.08182	3.2
197.54893	0.5
231.63434	0.4
371.13522	1.1
372.21469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13237	0.9
54.90796	0.9
59.01381	100.0
61.98829	4.1
69.62521	5.5
71.01391	1.8
78.95900	1.2
83.01392	3.2
85.02977	0.9
85.88044	0.9
85.88648	0.9
93.03466	2.2
101.02320	1.0
111.04544	1.4
121.02981	2.0
122.66360	1.0
130.08777	4.4
136.05263	1.3
153.08066	1.2
153.09218	13.2
155.10147	0.9
165.77518	1.1
173.04561	6.8
191.05615	2.0
192.98988	0.9
197.08247	8.0
199.18236	2.0
296.85507	1.1
371.07181	1.0
371.13434	4.7
371.22961	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55557	0.3
57.03440	0.6
59.01379	1.8
60.99292	0.7
67.01889	5.2
69.03439	1.0
69.24098	0.4
69.24432	3.3
71.01383	3.5
77.33150	0.3
81.03458	1.0
83.01379	0.4
83.05010	0.9
85.02946	0.4
87.00868	0.4
93.03458	26.0
94.03793	0.6
106.30647	0.3
109.02959	0.8
111.00879	0.5
111.04527	4.3
113.02467	0.4
116.49050	0.3
119.47807	0.3
119.77542	0.3
127.04021	0.6
137.02457	3.5
153.09215	10.5
154.09532	0.5
155.03496	3.9
161.29253	0.3
162.28711	0.3
172.18646	0.3
173.04544	100.0
174.04877	3.6
188.68510	0.3
191.05562	2.2
197.08197	3.7
211.40823	0.3
371.13452	6.8
372.13913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58748	2.1
59.01360	6.7
61.98829	100.0
68.97143	2.3
69.33823	2.2
69.66694	10.4
79.90398	2.1
83.01386	7.5
95.66917	2.1
98.20654	2.9
103.03861	2.0
107.70818	2.3
120.31760	2.1
138.81451	2.1
241.95047	2.5
312.20444	2.2
372.15094	5.6
373.27518	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23844	0.7
57.56906	0.6
59.01362	2.4
71.01369	1.4
71.53809	0.7
71.54222	0.9
72.53906	0.6
73.02928	1.2
85.02950	9.5
87.00896	6.0
93.03455	3.1
103.34876	0.7
111.04513	1.0
118.05065	0.8
127.03986	2.4
135.04570	3.6
136.01599	0.9
149.06085	0.7
162.57161	0.7
173.04547	3.2
179.05695	0.8
179.07191	1.0
188.04797	0.7
190.53476	0.7
191.05600	100.0
192.05949	4.0
205.94908	0.7
220.79944	0.8
220.97659	0.8
235.06088	3.0
251.05721	1.1
265.07217	0.9
371.09756	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	371.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04641	0.6
59.01374	1.3
59.86690	0.6
60.93529	0.7
70.69255	1.7
71.01387	0.8
85.02955	9.2
87.00874	1.0
93.03452	2.6
109.02945	0.7
122.21177	0.5
127.03989	1.9
168.26476	0.6
173.04562	1.2
191.05609	100.0
192.05917	4.0
195.51871	0.6
212.97227	0.7
304.35782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43539	1.7
55.01855	1.8
57.03447	5.8
58.00604	2.3
59.01379	28.2
61.98826	5.4
63.72351	1.9
64.48765	1.8
70.04350	7.1
71.01382	10.2
72.99296	4.3
73.02937	3.9
79.97237	2.1
80.91681	2.3
83.01385	22.7
85.02940	17.2
89.02451	8.2
93.03419	2.7
96.95985	6.8
98.20547	2.8
99.00904	2.1
101.02438	5.5
108.02135	3.4
111.00897	2.9
113.02416	2.6
121.02958	10.5
122.03735	3.3
123.04501	6.1
124.01675	3.8
125.02444	28.9
131.05032	2.9
133.02953	4.1
134.03749	14.1
135.04527	13.7
136.05266	7.4
147.04517	5.0
148.05287	73.1
149.02400	3.4
149.05855	4.5
160.01569	3.7
160.05298	5.2
161.02420	9.4
161.06064	7.6
162.03206	32.0
163.03975	7.2
163.07634	55.7
164.04733	8.2
166.02890	2.3
166.34775	2.0
167.03467	3.1
169.83833	2.1
172.05287	11.8
173.04558	5.0
173.06009	3.3
175.02528	2.1
175.03937	10.8
176.01047	2.4
177.01939	4.0
177.05556	49.6
178.06287	12.5
179.07146	2.8
183.71400	2.3
184.05345	2.2
187.07649	4.3
189.05519	12.7
190.06339	52.0
191.02019	5.6
191.05403	3.0
191.06964	3.9
192.04295	4.4
193.08734	5.8
194.02188	8.4
195.02965	8.7
195.06561	10.4
197.04530	7.6
203.07147	2.5
204.04265	7.0
205.05003	3.7
205.08665	39.0
207.06575	16.0
209.03011	8.6
214.06490	3.0
217.08717	11.8
219.06546	17.5
220.06963	2.8
221.08189	2.8
223.06107	7.3
235.06105	12.5
237.07610	12.6
249.07733	5.0
251.05580	100.0
252.05989	4.5
265.10785	2.4
293.06683	6.9
309.09961	2.9
318.76636	2.7
327.10962	6.8
353.08710	18.0
371.06229	2.9
371.09833	75.8
371.14441	4.6
372.10123	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24962	1.6
55.01876	4.4
57.03445	21.8
59.01379	3.6
61.98825	6.2
62.85986	1.3
63.83217	1.5
67.01866	2.4
70.74506	3.5
70.74865	1.6
71.01363	9.5
72.40680	1.3
72.99268	1.9
76.08530	1.4
80.40880	1.4
81.03453	1.7
83.01378	12.1
84.02151	2.1
85.02946	100.0
86.03273	2.7
87.00894	3.6
93.03461	6.1
95.53355	1.6
98.20625	1.6
101.02425	9.4
105.03461	2.2
111.00880	33.2
111.04565	1.6
117.03488	1.5
119.04993	14.7
121.02949	2.7
123.04481	8.9
125.02455	1.7
129.01939	46.0
133.02988	10.4
134.03687	2.9
135.04202	1.5
146.24466	1.5
147.03052	2.6
149.02409	3.5
151.04012	16.3
161.04556	3.1
163.03999	12.5
173.04610	7.1
177.01897	1.9
187.02460	2.4
191.05605	13.5
193.01332	3.6
193.05049	1.5
195.02971	13.1
205.03517	31.1
223.04575	57.1
224.04906	1.8
276.50882	1.6
369.08167	3.6
369.12372	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	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98832	100.0
68.11684	0.4
68.85252	0.4
71.56065	0.5
83.01376	3.7
83.01775	0.4
84.56982	0.5
121.02962	36.7
129.82596	0.4
136.05327	0.7
168.04341	0.5
179.03485	3.4
254.87321	0.4
273.58954	0.5
371.07782	5.7
371.14832	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57447	1.0
59.01395	1.1
61.98828	100.0
70.78201	2.3
83.01375	1.9
90.41627	1.1
121.02951	1.6
202.80620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0769
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.55422	0.4
59.01374	3.8
61.98829	12.2
69.19028	1.0
69.19440	3.2
69.73879	0.4
70.32374	0.4
71.01395	0.4
80.31667	0.4
83.01383	6.4
93.03477	0.7
106.05740	0.4
121.02950	100.0
122.03291	3.8
136.05289	2.0
149.02408	0.7
168.04282	1.1
179.03491	11.0
179.05133	0.6
235.09677	0.5
239.07300	0.6
261.14847	0.7
303.15970	0.5
316.98279	0.4
356.12598	0.5
371.07709	16.0
371.14426	2.1
372.08054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
61.98825	1.0
70.88156	0.9
70.88490	0.4
72.68049	0.4
130.00966	0.4
133.06569	1.8
149.09711	74.4
150.10054	3.6
162.60057	0.4
170.99211	0.4
184.39256	0.4
189.12770	0.5
205.15953	77.7
206.16298	6.1
239.07234	0.5
367.26382	100.0
368.26724	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	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56178	1.5
53.04835	1.6
59.01392	9.4
61.98833	100.0
69.95261	7.8
84.96939	1.4
97.50742	1.7
98.19909	3.3
111.17942	1.8
134.01880	1.8
148.11951	1.6
164.04819	2.1
202.57726	2.0
263.12762	2.2
269.04498	4.5
270.04630	1.9
294.21490	6.2
311.22482	2.2
369.18076	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	367.2638
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
56.39484	0.3
58.88622	0.4
59.01374	0.5
61.98839	0.6
70.79934	0.9
75.63004	0.4
76.81553	0.4
104.39486	0.3
133.05573	0.4
133.06589	8.0
134.06938	0.5
149.09705	82.4
150.10049	4.9
159.43340	0.4
194.09471	0.9
205.15953	48.4
206.16309	4.3
220.78920	0.4
295.16989	3.4
296.17606	0.5
328.16711	2.4
367.26382	100.0
368.26703	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	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69849	0.4
59.01106	0.7
59.01375	8.9
61.98803	0.5
68.12582	0.4
69.03448	1.8
71.01373	4.1
85.02976	0.5
89.02436	3.9
91.04004	15.9
97.02944	5.7
97.06577	0.8
101.02426	0.5
111.04495	0.6
111.08144	0.8
113.09727	0.7
120.64494	0.5
125.06057	0.6
125.09704	1.8
125.99354	0.7
135.08089	0.5
137.09763	0.5
137.80429	0.5
141.09190	1.1
164.18327	0.5
165.01682	0.8
165.12872	0.6
167.10719	0.7
167.14243	0.5
171.10271	1.7
178.02411	0.9
179.14380	1.3
181.12357	1.1
183.09988	0.5
191.03258	1.2
193.08458	1.9
195.13882	8.4
199.09708	1.0
199.16968	1.0
201.11305	0.6
205.12262	0.9
205.16022	0.6
209.07954	0.7
210.01450	1.0
211.13399	1.3
219.06357	0.8
221.07835	0.7
222.08711	18.2
223.09483	7.8
223.13316	6.2
224.13937	0.6
228.13544	0.9
231.21075	1.0
245.19116	0.6
247.20572	0.8
254.07597	2.4
256.13129	2.9
258.05090	2.6
261.11032	9.6
262.11826	23.1
263.12186	1.7
265.21686	0.8
273.18698	0.5
275.20139	7.8
276.20624	0.5
277.21667	1.2
283.65341	0.5
291.19623	5.2
293.21204	100.0
294.10855	3.2
294.21524	11.4
295.22797	4.7
298.08237	1.5
309.20654	13.9
310.21011	1.1
313.17755	1.2
314.70291	0.5
331.18866	56.2
332.19202	5.9
367.16489	9.7
368.16840	0.9
375.17984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98830	1.2
69.15326	0.6
69.85352	0.5
71.01378	1.9
71.05016	0.7
71.55466	0.8
72.99303	0.6
77.21481	0.6
89.02464	2.8
91.04007	12.9
96.96004	0.6
125.09754	1.0
171.10266	1.5
179.14426	1.0
195.13908	9.6
196.14388	0.8
199.17010	1.6
203.02324	0.6
205.12328	0.8
205.16006	0.6
218.62981	0.6
222.08716	2.7
223.09537	0.7
223.13419	6.8
225.78967	0.7
228.13538	0.7
256.13177	1.7
262.11859	1.4
275.20166	7.2
293.21225	100.0
294.21552	11.1
295.22833	1.5
309.20706	3.2
331.18890	6.0
367.16629	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	367.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03758	1.0
59.01372	5.7
61.98818	2.7
69.63591	1.9
69.63998	5.1
71.01366	6.0
73.02887	1.2
74.25448	1.0
83.04981	1.5
86.64031	1.2
89.02463	1.9
91.03998	8.4
93.65147	1.3
94.87512	1.3
119.70194	1.2
125.09717	2.6
125.99339	1.2
137.09750	1.3
141.09207	3.3
148.19487	1.1
161.04535	1.2
165.01645	3.3
171.10243	3.2
179.14333	1.4
183.10036	2.4
183.13806	1.4
193.08453	5.6
195.10028	1.5
195.13852	7.2
199.09689	3.1
199.16939	2.0
200.10489	2.0
201.11272	2.7
209.08069	2.6
222.08711	58.6
223.09485	24.7
223.13297	3.3
224.09856	2.3
247.20601	2.0
254.07692	7.2
258.05179	6.1
261.11063	1.6
262.11887	7.2
273.18661	1.4
275.20102	3.5
277.21579	1.8
291.19672	5.3
293.21194	61.7
294.21487	5.4
295.22784	15.6
296.22919	2.0
309.20654	24.9
310.20999	3.2
313.18030	1.7
331.18881	100.0
332.19141	12.8
367.16519	24.3
368.16803	3.4
375.17508	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	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03447	2.9
58.00603	0.6
59.01381	100.0
60.01719	1.5
61.98840	2.0
66.52858	0.5
67.01890	0.6
70.82700	0.6
71.01385	39.3
71.55927	0.8
72.99290	0.7
73.02946	9.2
75.00906	0.6
80.96510	0.8
83.01397	4.4
83.05064	0.9
85.02951	19.2
87.00883	2.2
89.02461	4.8
89.52390	0.5
93.03463	4.4
95.01427	3.2
96.89829	0.6
96.96031	0.8
97.02979	1.3
99.00883	3.9
101.02448	14.9
101.03094	0.8
102.02802	0.8
111.04542	1.1
112.08379	0.5
113.02456	21.0
113.22220	0.5
114.02840	0.6
119.03515	0.8
119.05048	1.2
121.03036	0.6
125.02415	1.0
129.02011	0.8
133.02922	1.3
134.03769	3.4
135.04533	1.7
137.02419	0.7
143.03491	1.3
145.12450	0.5
147.08157	0.9
153.09218	3.3
155.03520	0.8
159.03012	1.3
161.04562	22.7
163.04030	1.6
173.04568	13.2
174.04912	0.9
177.01982	0.9
178.02557	0.6
184.63768	0.7
187.11307	1.0
191.05603	1.4
193.05089	4.1
193.08760	0.8
203.10814	0.6
205.12318	8.6
280.05814	0.7
307.17636	31.1
308.18033	2.6
367.17731	1.7
368.25055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.0
59.01385	100.0
65.65907	7.3
65.77971	6.7
70.16855	7.5
71.01379	92.7
74.15507	7.3
85.02942	57.6
87.00822	8.6
89.02415	7.6
93.03448	17.4
96.96010	14.9
98.19837	11.9
99.00868	16.3
101.02425	19.7
113.02450	58.5
134.03676	10.4
135.04449	9.8
136.05316	8.4
146.92114	7.4
151.07620	11.8
152.08444	64.6
153.09213	58.5
155.03549	8.2
161.04526	16.8
165.09207	9.2
173.04555	54.7
191.05583	13.2
193.05049	22.9
205.12337	76.0
229.35538	9.2
280.05789	11.5
280.55826	8.1
297.15524	7.0
301.13916	7.2
307.17374	7.9
364.19565	8.8
367.17770	13.1
368.17682	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01388	1.0
63.70865	0.4
65.89165	0.4
69.67911	1.2
69.68298	0.9
71.01379	1.6
73.02950	0.6
75.03866	0.4
81.41573	0.4
83.05045	0.6
85.02959	0.6
89.03973	1.7
93.03437	1.8
98.19825	0.5
101.02412	0.6
111.04537	2.8
114.30199	0.5
117.03452	8.6
127.04001	0.5
134.03734	85.0
135.04051	2.7
137.02475	0.7
138.74290	0.4
149.06056	6.4
150.06400	0.5
155.03450	2.9
173.04532	4.4
191.05635	5.1
193.05037	100.0
194.05360	4.6
216.49188	0.4
235.11769	0.6
339.95099	0.5
367.10385	7.8
367.15381	0.9
368.11005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19504	0.3
57.03436	1.0
59.01377	1.9
60.99283	0.3
67.01556	0.5
67.01888	5.1
69.03447	0.8
69.42500	2.0
69.42902	0.6
71.01380	3.2
78.07755	0.4
78.34309	0.4
81.03460	1.0
82.17344	0.4
83.05035	0.8
85.02949	0.5
89.03981	0.3
93.03455	26.1
94.03809	0.8
100.68539	0.3
109.02943	1.2
111.00892	0.9
111.04518	4.8
113.02383	0.4
117.03456	1.9
119.05003	1.8
127.04003	0.6
134.03732	20.6
135.04086	0.9
137.02446	3.7
141.86136	0.3
141.99783	0.3
149.06070	1.4
155.03481	3.8
163.04012	1.3
173.04535	100.0
174.04872	4.2
178.02666	0.3
178.96156	0.3
191.05582	1.0
193.05042	15.1
194.05392	0.7
194.81854	0.3
259.21762	0.4
367.10297	3.9
368.10425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1393
Annotation	Drosopterin
Peak:m/z	Relative Intensity
51.06797	0.6
57.00376	0.6
57.03443	0.9
57.15942	0.6
59.01374	6.8
68.80531	0.6
68.99786	1.5
69.03449	2.4
69.22759	6.8
71.01379	3.9
71.95250	0.6
72.86349	0.6
72.99301	1.1
75.00872	1.4
81.03470	1.2
83.01389	0.8
83.05045	1.6
84.70428	0.6
85.02952	0.8
93.03450	1.5
95.01367	1.0
95.05018	1.1
96.96008	1.1
96.99325	1.2
97.06590	0.9
98.20734	1.2
99.00877	19.0
104.71706	0.7
106.04201	0.7
107.04991	0.8
108.02185	2.3
109.02945	0.8
111.00876	2.2
112.01682	0.8
115.00385	3.2
119.05035	1.2
123.04517	0.7
124.01692	0.9
124.98809	1.2
125.02400	0.7
125.80350	0.6
134.03728	2.2
135.06935	0.7
136.01651	1.9
138.03221	1.0
140.01154	5.0
144.00606	1.2
148.05290	0.7
149.02397	0.7
150.03212	0.6
151.03860	0.7
156.00632	5.6
162.03246	0.7
163.04018	4.1
164.04793	3.8
165.09225	0.7
166.02676	1.2
173.04544	2.8
173.06032	0.7
175.11337	0.7
177.05542	6.0
178.12416	1.0
189.12834	0.9
192.04205	1.7
193.05006	1.2
201.12814	1.1
205.12253	2.0
207.13904	2.3
211.13379	1.4
217.12399	1.1
219.13853	1.6
221.11880	0.8
223.13382	3.0
231.13885	0.7
232.95497	0.7
233.11775	1.1
235.13411	0.9
245.11842	1.6
248.12881	2.7
249.14874	1.5
251.12817	1.5
251.16702	0.7
259.13373	1.4
261.11270	2.9
261.14944	1.5
263.12888	2.1
265.14447	1.2
270.35818	0.7
276.12427	2.7
277.14462	2.0
278.11542	1.0
278.14313	0.9
279.12332	9.7
286.25827	0.6
287.12869	1.1
289.10703	3.2
293.13922	1.2
305.13882	3.0
307.11887	25.9
308.12173	2.4
308.15085	1.9
309.13477	0.8
319.11804	0.8
331.11810	0.9
337.12991	5.1
349.12912	5.8
367.13931	100.0
368.13919	6.2
368.17230	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	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01359	0.6
59.69393	0.4
63.14381	0.4
63.87134	0.5
67.42855	0.4
69.75027	0.4
70.95516	1.1
82.77426	0.5
85.06612	2.5
121.02956	0.5
126.64767	0.5
189.04384	0.6
199.13432	3.5
261.18646	1.0
279.19662	16.7
280.19943	1.7
347.25888	5.3
348.26355	0.7
363.25507	0.6
365.26965	100.0
366.27274	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	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11340	0.2
57.83709	0.2
59.01374	0.2
67.53249	0.2
70.55228	0.5
103.79179	0.2
116.05056	3.3
117.03461	0.6
129.37395	0.1
132.04530	0.3
134.03740	5.2
149.06065	0.3
155.03540	0.3
159.03297	0.5
160.04028	100.0
161.04382	5.4
191.05556	0.3
193.05048	5.9
194.76456	0.2
204.03000	4.3
285.87234	0.2
366.08261	19.6
367.08508	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50996	0.4
59.01379	3.4
59.81934	0.5
61.98827	100.0
69.37270	0.4
71.01382	0.7
71.56142	0.4
72.89107	0.4
72.99320	0.5
74.34062	0.4
90.29539	0.5
93.03473	1.4
96.96021	0.8
101.02467	0.4
106.04247	1.0
134.03746	0.9
142.99854	0.5
149.44101	0.4
156.00635	0.5
160.15132	0.5
161.09747	2.5
173.04527	2.5
173.90860	0.4
174.01712	1.1
187.80164	0.5
193.05090	1.9
205.08665	4.5
367.13953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28594	0.3
59.01379	1.8
61.98827	100.0
62.31880	0.3
69.83298	0.5
69.83700	0.9
71.01379	1.2
72.99319	0.5
84.33419	0.3
89.02434	0.5
99.00880	0.4
101.02426	0.4
117.01930	0.6
135.03001	0.4
142.99913	0.8
153.05560	0.5
167.07172	0.4
173.00914	0.3
174.01723	0.6
185.11891	0.5
193.05110	0.6
213.11272	0.6
225.07755	0.7
242.21928	0.3
247.46617	0.4
271.08273	0.5
303.14697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94057	0.5
59.00535	0.4
59.01376	6.0
61.73119	0.5
61.98827	100.0
67.51318	0.5
69.48416	0.6
71.01388	1.3
71.55673	0.7
72.99316	0.8
84.05353	0.5
85.02934	0.6
89.02490	0.6
93.03503	0.9
96.58282	0.6
96.96029	2.0
97.06570	0.5
99.00887	1.1
112.98842	1.5
133.03006	0.6
134.03741	0.5
135.04570	0.5
142.99883	0.8
156.00624	0.7
167.07185	0.6
173.03233	0.5
173.04495	2.1
174.01756	1.5
176.04027	0.9
191.05609	0.7
193.05093	1.4
226.97313	0.4
271.08157	0.7
286.04489	0.5
304.05463	0.4
350.38052	0.5
367.14001	1.7
367.18103	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03439	1.6
58.00584	1.0
59.01377	29.0
59.79107	0.4
61.98824	2.2
71.01004	0.9
71.01382	14.6
71.54847	0.7
71.55193	0.5
72.99290	1.3
73.02939	1.8
75.00889	0.4
83.01398	1.1
84.26608	0.4
85.02955	3.5
87.00877	1.4
89.02445	14.1
95.01360	0.7
99.00877	0.9
101.02432	10.7
113.02441	5.9
113.09750	1.4
119.03493	4.8
127.11267	1.3
139.11234	1.0
143.03484	0.6
155.10751	2.5
157.12332	14.4
158.12749	0.8
171.13878	1.0
179.05667	0.7
185.11800	2.9
187.13387	1.4
199.13412	1.4
203.12857	42.0
204.13148	2.5
245.13956	1.5
365.18118	100.0
366.18488	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	365.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.4
69.24821	2.3
69.25227	9.4
72.85030	1.3
81.54095	1.4
98.19833	2.2
99.80534	1.3
121.10292	5.9
141.37914	1.3
171.10269	11.3
179.14326	1.5
195.13913	7.9
223.13326	5.4
231.21111	1.8
235.17056	2.5
256.13184	2.8
275.20135	29.5
276.20432	3.1
291.19580	4.4
293.21216	100.0
294.21588	11.9
327.21948	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	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77687	0.8
59.01373	8.6
61.98813	1.3
71.01350	1.1
71.05017	20.7
71.26857	1.0
71.27210	1.0
79.38770	0.8
84.20686	0.8
96.96023	1.5
97.06593	6.4
106.91869	0.9
123.08109	1.0
154.16975	1.0
158.56888	0.8
174.95247	0.8
181.12277	1.7
183.96344	0.9
201.02472	1.8
203.50385	0.9
207.13847	2.9
219.13867	2.8
230.41409	0.8
233.11598	1.2
233.74623	0.8
235.17006	3.2
247.20610	1.8
249.86768	1.0
273.18555	1.2
291.19635	100.0
292.19968	11.8
319.23151	0.9
347.21719	1.1
365.15027	2.6
365.23453	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	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77687	0.8
59.01373	8.6
61.98813	1.3
71.01350	1.1
71.05017	20.7
71.26857	1.0
71.27210	1.0
79.38770	0.8
84.20686	0.8
96.96023	1.5
97.06593	6.4
106.91869	0.9
123.08109	1.0
154.16975	1.0
158.56888	0.8
174.95247	0.8
181.12277	1.7
183.96344	0.9
201.02472	1.8
203.50385	0.9
207.13847	2.9
219.13867	2.8
230.41409	0.8
233.11598	1.2
233.74623	0.8
235.17006	3.2
247.20610	1.8
249.86768	1.0
273.18555	1.2
291.19635	100.0
292.19968	11.8
319.23151	0.9
347.21719	1.1
365.15027	2.6
365.23453	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	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98832	100.0
69.83509	1.2
69.83926	1.8
75.60114	0.5
78.76881	0.5
82.52380	0.6
88.85903	0.5
114.73488	0.5
145.94623	0.6
183.13802	0.6
192.48830	0.6
195.08095	0.5
272.82034	0.5
301.16556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0874
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01379	3.7
61.98824	3.5
71.01382	1.7
73.02953	1.3
75.17666	0.4
85.02954	0.6
89.02427	0.8
96.96009	0.5
101.02444	1.0
119.04990	0.5
145.02998	0.9
147.04494	0.7
158.03726	14.3
159.04527	6.6
171.04495	2.2
173.02408	0.5
173.04518	0.7
175.03996	0.6
191.05426	0.5
201.01981	0.8
201.05597	2.9
202.02707	100.0
203.03146	9.2
213.05583	2.7
227.03406	0.5
231.06578	1.0
232.22597	0.4
245.04521	1.6
257.19202	0.4
275.05563	2.5
279.02533	0.5
304.67859	0.4
365.08719	51.1
365.17960	2.5
366.09024	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75416	0.4
57.82173	0.4
59.01378	100.0
60.01717	1.3
61.98835	0.8
63.55511	0.4
66.38057	0.4
69.44406	3.4
70.75415	0.4
75.43890	0.4
81.56438	0.4
86.30526	0.5
120.18838	0.4
164.32399	0.5
173.04593	0.8
178.02672	0.6
183.91331	0.4
260.94815	0.5
278.08499	0.6
302.94504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03443	1.9
58.00578	1.1
59.01381	36.3
61.98810	1.0
69.57668	1.7
69.58081	1.3
71.01382	15.2
71.04998	0.6
72.99298	1.3
73.02944	6.1
75.00885	0.7
83.01392	5.4
85.02953	9.7
86.00109	1.3
87.00871	1.4
89.02446	3.7
93.03411	0.5
95.01381	1.3
97.02979	0.6
97.06596	1.0
98.19990	1.0
99.00899	2.3
99.08157	0.5
101.02442	17.0
101.06097	0.7
106.49947	0.5
111.00866	1.5
113.02448	6.8
115.72233	0.6
119.03457	1.5
124.33752	0.5
133.02968	0.7
157.12321	1.6
159.06641	0.7
159.10245	0.5
161.04564	2.6
179.05681	0.4
185.11807	3.1
191.05569	1.8
203.12866	5.4
227.12943	0.9
305.16003	3.5
323.17078	0.8
334.01273	0.8
347.17068	14.6
348.17599	1.2
355.67770	0.6
363.16916	0.6
365.18149	100.0
366.18668	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50137	0.5
55.01877	0.8
56.54078	0.4
57.03448	1.0
57.60339	0.4
58.00592	1.6
59.01382	29.4
61.98835	17.8
71.01381	14.3
71.01777	0.9
71.05014	1.8
71.55872	0.8
72.99306	1.0
73.02943	2.1
83.01392	1.7
83.05032	0.8
85.02949	4.3
85.06580	2.9
87.00879	1.3
89.02447	12.4
95.01391	1.6
96.95971	0.5
101.02442	11.7
113.02460	5.8
119.03484	4.4
127.11272	1.6
131.03490	0.6
137.09720	1.1
139.11296	1.5
143.03532	0.6
155.10695	0.7
157.12343	11.1
158.12674	0.5
161.04576	1.2
173.04532	1.1
185.11842	3.3
187.13391	1.6
199.13441	0.5
203.12875	37.2
204.13168	3.0
226.05345	0.5
245.13953	1.6
305.16205	0.5
365.18143	100.0
366.18509	11.8
378.24063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50686	0.4
59.01377	100.0
60.01702	0.9
69.32899	3.1
71.01377	1.7
71.29916	0.4
73.02945	1.3
89.02456	0.5
98.20670	0.7
101.02472	1.6
102.92979	0.4
108.87312	0.3
113.02469	0.9
113.14927	0.3
273.29556	0.4
278.65912	0.4
304.11618	0.6
322.12839	0.5
351.80954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44040	0.4
59.01371	0.9
61.98828	100.0
69.56114	1.9
69.56516	0.9
69.58498	0.5
72.99276	0.4
73.72575	0.4
74.15630	0.4
78.87230	0.4
80.06609	0.4
80.74020	0.4
96.96017	5.0
98.20618	1.0
101.91531	0.4
149.83644	0.5
168.34930	0.5
231.27916	0.4
267.66922	0.5
303.03638	0.5
365.16263	3.1
383.22824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60984	0.3
59.01381	19.3
62.42333	0.3
70.53926	1.0
97.06699	0.3
98.20660	0.3
98.81413	0.3
140.43073	0.3
157.38412	0.3
166.34387	0.3
261.22232	0.5
279.23285	100.0
280.23633	11.9
280.26730	0.6
361.15451	3.5
361.23590	21.9
362.24026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18107	1.1
57.21613	1.2
58.77574	1.3
59.01377	100.0
60.01716	1.7
60.40701	1.0
69.20107	8.9
69.20529	2.9
74.88498	1.4
98.20297	6.4
109.79504	1.3
114.22622	1.1
136.11693	1.3
155.76967	1.2
190.82736	1.3
209.02379	1.2
259.92007	1.2
263.20102	9.0
264.31525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13340	0.5
59.01379	100.0
60.01733	0.9
61.98829	4.6
69.42804	4.0
71.01387	0.8
73.02983	0.7
88.04023	0.6
93.03479	0.8
119.05037	5.2
120.05373	2.0
136.07745	0.5
138.05589	0.9
140.07178	77.4
141.07513	3.6
161.04619	0.6
163.04028	8.0
164.04337	2.4
173.04495	1.3
174.01665	1.4
257.13159	3.0
271.08228	1.0
302.12387	2.6
362.15201	1.1
363.16501	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32673	1.6
59.01378	100.0
60.01685	2.5
61.98821	2.6
64.30569	1.8
71.01377	10.9
71.09693	1.9
71.10010	3.2
72.99323	2.3
73.02959	5.1
83.01401	3.0
85.02943	4.8
87.00877	3.2
89.02439	6.4
93.57769	2.1
97.06615	1.6
98.95483	1.7
99.00877	5.3
99.46887	1.8
101.02423	8.4
103.67040	1.8
112.13795	1.6
112.98827	8.4
113.02435	2.1
113.99573	2.0
115.00390	4.6
117.01910	2.9
117.85606	1.9
119.05036	12.1
122.07361	1.6
137.03523	1.6
137.06073	2.3
138.05513	3.1
139.07683	1.7
140.12166	1.5
147.04501	25.4
153.05559	7.5
161.04541	3.1
163.03984	12.3
165.05569	4.0
167.07108	11.2
171.06644	2.6
173.00896	11.2
173.04477	4.2
174.01675	76.8
175.02361	6.8
182.97783	1.6
183.10225	1.9
184.74921	1.7
211.06076	13.8
244.06770	2.0
257.12897	6.3
271.08185	16.9
272.08524	2.2
327.10825	3.6
363.16544	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
58.00579	1.1
59.01377	41.0
61.98825	3.0
67.01887	2.0
69.03480	1.9
70.87884	1.9
70.88226	1.6
71.01379	22.5
72.99303	5.1
73.02940	3.2
83.01388	2.3
85.02930	5.8
85.06583	24.5
87.00842	1.1
89.02444	16.7
93.02930	1.8
93.03458	16.1
94.03807	1.2
95.01404	1.2
98.02480	1.6
101.02435	11.6
107.08683	2.4
108.04504	1.3
111.04505	2.1
113.02445	7.1
113.06085	4.8
115.03991	4.3
115.72293	1.1
119.03508	5.9
120.85858	1.0
121.10217	1.4
123.03241	3.5
127.11160	1.0
129.05620	1.4
132.29411	0.9
136.07706	5.1
137.02454	3.3
138.05621	16.4
139.11299	2.5
150.03241	1.9
155.03470	2.5
161.04509	1.9
165.05621	1.7
167.03488	1.3
173.04543	71.1
174.04813	2.8
182.04608	1.5
183.10258	34.5
184.10486	1.7
189.07710	1.9
201.11328	14.9
214.12379	1.8
227.08310	6.0
242.10692	5.0
257.12927	34.9
258.13174	3.1
273.78766	1.0
315.08524	1.0
345.10785	5.6
345.14725	1.1
363.12701	3.8
363.16586	100.0
363.25684	3.2
364.16907	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06841	0.5
51.61876	0.4
57.03449	2.5
59.01374	5.4
70.02979	0.8
71.01384	2.7
71.56074	0.6
73.02943	1.1
81.03435	0.6
83.05047	0.9
85.02949	0.8
87.00869	0.6
87.42181	0.4
89.02440	1.1
91.83123	0.4
93.03458	2.6
95.05035	0.7
96.04539	0.5
97.06586	6.5
98.02493	2.4
99.02850	0.5
101.02441	1.0
111.04512	3.1
113.02428	0.7
119.03489	0.5
123.08147	3.9
125.09717	66.3
126.10052	3.0
127.04050	0.7
135.04489	0.5
143.10739	1.3
145.75381	0.5
155.03497	4.8
161.04482	0.6
169.08673	1.8
173.04535	10.5
187.09740	100.0
188.10091	4.4
191.05624	2.4
361.15012	29.1
361.24619	4.2
362.15332	3.8
362.20410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.3
60.99310	0.5
67.01897	1.0
69.17615	1.5
69.18027	3.2
71.01380	10.3
72.41518	0.5
72.99301	0.8
73.02943	5.8
75.63995	0.5
81.07767	0.5
83.01391	1.0
85.02943	2.3
85.76812	0.4
87.00887	2.1
89.02446	4.9
93.03452	7.2
93.04004	0.5
95.01393	0.7
99.00847	0.6
101.02436	6.1
108.50436	0.5
110.27386	0.5
111.04536	2.1
113.02442	4.3
115.00377	6.2
119.03497	1.3
125.09723	1.3
131.03511	0.7
133.01424	9.7
133.02994	0.9
135.04578	0.6
143.03513	0.7
146.04890	0.7
155.03499	0.7
161.04604	1.2
161.07240	2.0
173.04544	3.3
179.05817	0.5
184.04573	0.5
187.09790	0.9
187.13304	0.7
191.05634	2.8
209.11778	0.7
227.12903	0.9
301.16782	0.5
301.20062	0.8
301.68436	0.5
319.17542	1.1
319.20969	1.0
361.14996	11.1
361.22229	1.3
362.15564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
56.49651	1.3
59.01379	44.6
61.98835	10.5
70.88202	1.9
70.88522	2.8
71.01385	13.8
73.02942	4.2
79.10999	1.4
83.01353	1.8
85.02940	6.3
89.02454	3.6
95.01380	4.6
99.00871	3.1
101.02446	9.4
108.02043	1.5
113.02455	9.0
119.05055	7.5
121.02937	2.4
121.70838	1.4
123.00892	100.0
124.01613	12.5
125.02422	1.7
135.04535	1.9
137.02444	3.8
137.06050	6.3
138.03232	82.0
139.04041	28.8
140.04337	2.0
149.02461	2.2
150.03088	1.8
151.03996	2.6
159.03024	3.8
161.04552	27.8
163.04010	11.8
166.02724	2.3
178.02704	2.7
181.05077	7.1
191.05666	1.4
193.05055	3.4
222.91513	1.6
301.09323	45.7
302.09512	4.3
322.31998	1.5
348.52789	1.5
362.24652	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	360.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15084	0.3
52.26250	0.4
55.46986	0.3
57.03436	2.3
59.01374	4.2
61.98820	0.8
66.03485	7.7
68.01415	3.1
69.03432	0.5
70.02978	19.3
71.01379	19.3
71.05003	0.9
72.00900	1.1
72.01740	0.5
72.99313	0.6
73.02946	16.7
80.05083	0.5
81.02205	0.9
82.02969	2.0
83.05013	0.9
84.04544	1.4
85.02948	2.0
86.02484	1.4
87.00867	0.4
87.04513	0.6
88.04037	21.5
89.02463	0.6
93.03467	2.2
94.02979	2.0
94.03791	0.6
96.00925	0.5
96.04557	4.8
98.02475	91.0
99.00851	0.4
99.02819	2.4
100.04037	7.0
101.02441	0.8
106.06528	0.4
110.02465	0.4
111.04534	0.8
112.04064	2.1
113.03564	0.6
114.01983	3.0
114.05620	0.6
115.00378	6.7
115.07597	0.5
119.05038	0.4
120.08202	0.5
128.03546	1.6
130.04230	0.6
130.05103	6.7
131.04543	0.8
132.03029	73.8
133.03360	1.3
137.02461	0.5
147.04527	0.8
152.61980	0.4
155.03526	0.4
158.97339	0.4
161.04727	0.4
169.12340	1.0
171.10260	0.5
173.04594	3.8
174.04877	1.5
176.14517	0.5
179.03503	0.5
181.12503	0.4
183.13864	1.1
187.07643	0.6
189.05533	0.5
191.05620	3.5
192.05855	0.5
209.11792	0.7
209.15463	1.1
213.14992	1.0
222.15019	1.5
227.16501	12.2
228.16855	0.7
235.06033	0.6
240.16002	0.8
241.18027	1.0
252.16013	0.9
254.17580	0.7
263.05569	0.7
272.18701	0.6
276.19772	1.8
280.19107	0.6
286.92065	0.4
292.19168	2.9
293.19586	0.7
294.20822	0.7
302.19730	0.6
306.20694	0.8
310.20212	2.2
322.20187	0.5
323.07660	1.7
324.08081	1.3
340.20895	0.5
342.22873	1.7
360.16580	2.8
360.23880	100.0
361.05215	0.8
361.14987	1.3
361.24213	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.3
59.01380	6.4
70.69849	0.8
71.01403	1.3
85.02954	0.6
88.04032	3.7
89.02454	0.6
93.03443	0.8
98.02478	0.6
98.62443	0.3
101.02438	0.5
107.08672	0.3
108.02176	7.6
110.54559	0.3
113.02464	0.4
114.02004	0.6
115.00369	1.2
119.08685	0.4
131.04623	0.7
132.03030	13.9
132.06683	0.8
138.01973	100.0
139.02333	4.1
142.84232	0.3
149.15198	0.3
151.02724	0.4
173.04526	1.3
174.04761	0.3
178.06381	0.6
179.03487	0.3
180.03017	0.4
181.08748	0.7
188.04774	1.1
191.05623	1.1
199.09766	0.8
209.11867	0.8
221.08195	2.4
227.12895	0.6
235.06221	0.3
250.56770	0.3
265.07202	2.6
305.49286	0.4
310.20242	0.5
360.16711	0.6
360.23959	3.2
361.06870	0.6
361.14978	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	360.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02991	0.4
57.03443	1.6
58.02964	0.6
59.01380	1.6
66.03487	9.7
68.01404	2.4
69.23936	3.9
70.02982	16.7
71.01383	16.7
71.05019	0.8
72.00896	0.9
73.02951	16.3
78.03515	0.7
80.05030	0.5
81.02213	0.6
82.02989	3.0
83.01458	0.5
84.02236	0.5
84.04550	1.9
85.02968	1.0
86.02502	1.6
88.04057	4.8
94.02972	2.6
96.00899	0.7
96.04554	8.2
96.11706	0.5
98.02480	86.2
99.02813	2.0
100.03417	0.5
100.04042	9.4
100.04648	0.8
112.04027	2.6
113.03600	0.6
114.01971	1.9
114.05614	1.2
115.00375	2.6
128.03616	0.6
130.04176	0.5
130.05098	7.7
132.03030	26.0
132.06677	4.9
133.03316	0.7
142.15848	0.4
147.43997	0.5
148.11313	0.5
169.12286	0.5
186.20767	0.5
209.11737	1.1
209.15462	0.9
218.15436	0.7
227.12943	1.2
227.16522	12.2
228.16956	1.2
241.18085	1.6
266.11508	0.8
276.19656	2.8
288.19696	0.6
292.19205	3.4
293.19580	0.7
306.20959	0.8
310.20309	1.8
342.22906	0.9
360.23907	100.0
361.24271	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	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07977	0.6
59.01378	24.4
65.67500	0.7
69.83404	3.4
77.28085	0.6
119.04961	0.7
120.30860	0.6
122.03796	0.6
177.34502	0.8
219.58022	0.7
277.21689	100.0
278.22061	11.2
335.83499	0.6
347.33972	0.6
359.17545	1.4
359.21997	24.0
360.22333	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	359.2589
Annotation	Nootkastatin 2
Peak:m/z	Relative Intensity
56.17134	0.2
59.00674	0.2
59.01375	0.9
70.15324	0.8
71.01357	0.3
89.02435	0.3
98.20726	0.2
99.31795	0.2
117.88233	0.2
124.40295	0.2
126.33298	0.2
137.79471	0.2
176.40933	0.2
217.00218	0.4
247.90828	0.2
273.39426	0.2
277.73654	0.2
323.22678	0.2
359.25882	100.0
360.26239	13.9
371.60510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25848	1.1
56.92572	1.2
57.01798	1.1
57.03447	3.6
58.00571	1.8
59.01379	24.3
61.98814	1.1
67.01881	1.3
68.99828	1.3
69.03454	4.1
71.01381	14.2
71.05014	10.7
71.55575	1.2
72.99292	2.8
73.02962	2.3
81.03457	43.6
82.03780	1.2
83.05034	3.3
83.71501	1.2
84.02165	3.7
85.02940	4.3
87.00879	3.1
87.04530	5.8
89.02443	3.2
93.03485	7.4
93.07091	6.5
96.96015	1.5
97.06570	5.9
99.04518	81.1
100.04849	2.6
101.02430	2.4
101.06080	1.6
109.06606	2.1
111.00850	1.8
111.04526	4.5
111.08176	1.5
113.02458	1.5
113.06084	2.4
114.05614	1.8
115.00364	1.4
116.92837	1.8
119.05056	2.3
121.02961	1.8
121.06605	2.9
123.04552	1.5
123.08158	3.0
125.06071	4.2
125.09725	6.7
127.11291	4.5
132.04544	3.9
133.06595	3.1
137.02457	1.4
139.11276	1.6
143.07147	4.1
151.07651	16.3
152.07167	3.1
155.03484	1.3
155.10777	1.7
162.24770	1.2
165.09215	1.4
169.08713	6.7
171.10268	100.0
172.10559	5.4
173.04527	17.5
177.01978	1.2
179.14406	1.6
183.10223	1.3
185.11809	3.2
187.09775	1.4
191.05533	2.3
199.09711	1.7
201.11313	64.4
202.11632	2.9
209.11789	2.7
210.12245	2.6
211.13422	12.8
213.11400	11.3
213.14957	7.2
223.13333	3.6
228.13168	1.3
229.01476	1.4
235.13362	1.6
239.12738	1.6
241.14471	20.6
250.01711	1.1
251.12917	10.2
253.14461	5.7
259.13446	1.7
261.14990	2.4
269.13831	1.9
271.15536	12.3
277.14337	3.4
279.16010	3.0
287.16504	4.4
299.11365	1.5
299.18710	4.7
305.14075	2.4
305.17572	26.4
306.17984	3.0
315.13693	2.1
315.17877	1.5
317.19675	23.7
318.19980	3.1
323.18631	12.5
324.18890	1.3
341.19672	10.4
342.19772	1.2
359.12079	2.1
359.16888	3.2
359.20731	29.7
360.20758	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	359.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96952	1.2
59.01380	9.7
69.59507	5.8
69.59911	2.7
71.01392	2.2
89.02444	3.2
94.82088	1.4
101.02425	1.3
119.05033	2.1
158.30940	1.3
174.99327	1.7
217.00191	2.9
226.40378	1.3
299.11426	1.7
323.22314	1.9
359.25897	100.0
360.26251	14.1
370.61368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60797	13.6
59.01372	75.4
64.94431	12.3
71.01384	13.8
79.64698	12.2
89.02454	19.5
91.47477	13.2
101.02444	14.2
101.29290	14.3
103.11968	15.1
119.05087	20.3
127.75277	14.4
131.58586	12.6
164.46237	15.0
171.41090	12.5
261.21643	13.8
299.11185	21.1
359.25888	100.0
360.26620	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69551	0.7
59.01377	100.0
60.01711	0.9
60.17018	0.8
68.56418	0.8
69.25579	2.6
69.26002	4.2
71.01384	3.5
78.71924	0.8
89.02480	0.8
93.03462	4.3
97.06615	0.9
98.19917	1.4
99.00868	1.4
99.04516	1.7
101.02409	0.9
111.04537	1.5
119.05063	0.8
125.09722	1.2
130.08714	5.5
133.06590	0.8
151.07687	1.6
163.11284	0.9
171.10251	7.9
173.04547	15.4
181.12303	1.7
185.11897	1.7
201.11345	1.5
207.10310	2.5
223.13414	1.1
225.11298	19.9
226.11752	1.8
241.14459	1.7
297.18231	2.0
299.11700	1.6
299.14932	6.9
300.15387	1.1
305.17517	2.2
311.16116	1.2
315.13452	1.1
323.18536	2.5
341.16934	1.4
359.20868	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	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65640	1.9
58.00587	4.0
59.01380	7.0
69.66048	8.4
69.66475	6.5
71.01382	2.7
76.29809	2.0
80.12793	1.9
87.00884	15.3
95.05055	2.5
111.00897	2.3
147.01974	2.4
147.03004	4.9
165.12825	3.4
173.04549	7.7
179.14435	3.6
183.13835	8.1
189.12813	3.2
193.12247	3.0
195.13940	3.8
205.12393	2.8
211.13376	88.6
212.13792	7.0
213.14931	27.9
223.13414	12.3
225.14917	2.3
233.11859	3.2
235.13321	4.2
241.14433	100.0
242.14751	10.0
245.11836	2.2
247.13605	2.5
251.12859	39.4
252.13136	3.7
253.14476	12.5
259.13419	9.0
263.12802	2.7
265.14603	2.5
269.13983	3.8
269.76880	2.4
277.14413	13.8
279.56607	2.4
293.13852	3.9
305.13870	11.8
309.51443	2.6
319.41476	2.4
323.14877	5.8
359.16888	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	1.0
69.28957	0.8
71.01388	4.5
71.05004	1.0
71.55997	1.0
75.00864	0.9
85.02930	1.5
87.00859	1.0
87.15500	1.0
89.02447	1.3
93.03432	1.5
93.07083	1.0
99.00894	1.3
99.92602	1.0
116.92831	2.2
119.03513	0.8
151.07655	2.5
171.10266	7.1
173.04529	2.7
177.01910	3.4
179.03627	1.0
181.12247	2.1
201.11317	2.0
207.10225	4.5
209.11858	1.6
211.13397	1.2
225.11308	18.5
226.11485	1.1
232.50533	1.0
299.11942	1.0
299.14923	6.5
305.17599	1.6
323.18533	1.5
359.08112	1.5
359.20676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59269	1.8
57.03453	2.6
58.00590	5.4
59.01376	18.8
59.26490	2.0
67.01881	4.7
71.01380	8.0
73.02955	4.1
73.19956	2.1
85.02944	3.6
87.00864	18.2
88.30904	1.8
93.03450	21.5
98.19832	4.1
99.00864	3.9
101.02432	2.6
107.12366	1.7
108.02174	2.9
109.06606	2.2
111.00851	2.2
111.04482	4.4
113.02422	3.9
115.00391	2.3
119.62075	1.8
135.04572	2.7
135.64780	2.0
136.19194	2.7
136.36739	1.8
137.02443	4.9
147.03027	3.0
155.03484	2.3
173.04529	75.2
174.04846	4.9
179.14435	3.2
183.13907	7.6
185.11848	10.9
185.15379	2.3
191.05650	5.8
195.13881	3.4
207.13927	2.2
211.13385	91.5
211.15395	5.0
212.13684	7.7
213.14920	40.2
223.13423	11.7
235.13589	3.8
239.12830	2.7
241.14441	100.0
242.14781	8.1
251.12863	37.9
252.13306	3.2
253.14406	11.7
259.13345	10.3
263.12808	3.8
269.14001	5.7
271.15488	2.4
277.14462	14.3
293.13748	2.9
299.18478	4.1
305.13858	8.5
313.16672	2.3
317.19635	29.5
323.15042	6.6
359.16946	8.7
359.20712	12.3
360.20956	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	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57982	0.4
54.99001	0.5
56.71975	0.4
59.01377	82.6
60.01720	0.9
61.98829	1.4
70.10915	1.7
71.01374	0.5
72.99306	1.1
75.36168	0.4
82.41333	0.3
90.97154	1.1
114.98909	0.6
117.58274	0.4
118.96589	0.6
132.98212	1.6
134.96992	0.8
139.44157	0.4
156.99919	1.4
157.03526	3.1
159.01495	1.4
174.99239	20.1
177.13330	0.4
201.02545	24.4
202.02689	3.0
203.78749	0.4
217.00287	100.0
217.97971	0.8
218.00612	3.8
274.99622	0.9
276.75653	0.4
276.98212	0.9
299.01050	0.5
317.00546	1.4
359.01520	7.7
360.01645	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	359.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01382	6.8
67.01902	0.9
68.99817	22.1
70.36409	2.1
71.01396	3.6
73.02943	0.9
80.05056	27.6
85.02940	1.2
92.23794	0.8
92.95196	0.9
93.03436	8.1
98.02448	1.9
99.00893	0.9
104.05083	3.9
105.03459	1.0
106.06626	1.2
107.03770	2.0
108.02126	1.2
108.04575	1.7
111.04520	2.1
111.48819	1.0
122.06120	21.1
123.06467	1.5
130.08730	0.9
132.04547	100.0
133.02940	5.6
133.04907	4.1
134.03720	3.3
134.06136	1.0
135.04485	3.0
135.05504	0.9
144.04543	3.6
149.06042	2.5
150.05594	31.4
151.05919	1.7
152.03413	1.1
152.07162	54.4
153.07500	2.3
154.01492	0.9
155.03459	1.9
162.05646	1.0
163.03998	3.5
166.06155	0.9
167.09131	0.9
173.04543	16.2
174.04895	1.5
177.01877	2.3
179.03513	1.9
180.03777	0.9
185.08136	1.2
185.11842	10.9
190.62544	0.9
191.05591	7.2
250.06621	5.2
250.56711	2.3
269.13052	1.0
272.06113	1.3
273.12283	1.0
297.12433	51.2
298.12756	5.4
306.67847	0.9
315.13492	35.1
316.14102	4.2
317.19644	3.9
324.16476	1.3
327.08795	2.1
341.18933	1.0
359.12952	2.6
359.16953	1.9
359.20639	2.1
360.17001	0.9
360.24042	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	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71594	26.4
59.01373	100.0
70.62336	98.4
71.01394	31.8
79.13219	32.1
80.19319	28.8
89.02415	35.6
91.72176	33.4
96.77555	28.7
119.05061	35.0
253.31461	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01727	1.2
67.78069	0.8
70.27924	2.7
71.01379	5.6
73.02956	1.7
80.09575	0.8
83.01389	1.7
85.02967	3.4
97.19112	0.8
101.02466	2.9
113.02473	2.5
135.04611	1.0
161.00343	0.8
161.04570	2.9
209.11917	1.9
315.18399	1.8
357.13556	2.0
357.22794	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
58.00574	1.2
59.01375	4.6
61.98814	0.6
65.55066	0.5
69.03435	0.9
71.01382	1.2
71.05015	1.1
71.22257	1.2
73.02939	0.7
80.02651	1.0
83.01373	1.1
83.05025	0.8
85.02938	1.2
93.03429	0.9
96.81945	0.6
97.06588	2.9
97.21547	0.6
106.04244	0.6
107.05035	1.3
109.06588	7.8
111.04518	1.2
121.06563	1.7
123.08139	3.0
125.06078	1.7
125.09723	22.0
126.10062	0.7
127.07642	1.0
127.11281	8.0
128.03558	0.7
133.06566	1.8
135.08173	1.1
137.06035	1.7
137.09724	1.5
139.07643	1.1
139.11279	1.3
149.06075	0.9
151.07651	1.3
153.09184	0.7
155.10786	2.3
157.12303	0.7
163.11241	0.6
165.09201	3.5
167.07129	8.9
167.10747	4.3
168.07448	1.2
169.08728	0.9
171.10268	16.4
175.80894	0.6
183.10242	1.3
183.13934	1.0
185.08211	1.6
185.11841	1.5
187.09804	1.1
197.11726	0.7
199.09764	4.0
201.11310	100.0
202.11617	5.9
209.11809	0.5
211.09743	6.5
212.10173	0.8
213.11317	3.3
215.12839	1.0
225.11264	1.5
227.12938	1.0
229.10791	53.1
230.11151	3.7
239.12790	0.6
249.57071	0.5
259.16742	0.6
267.13834	0.7
277.17969	0.8
285.15030	6.3
286.15268	0.8
297.17438	0.6
303.16010	9.9
304.16232	1.6
321.17078	9.3
322.17307	1.1
328.18420	0.6
339.18079	8.5
340.18411	1.8
346.97922	0.6
351.51974	0.6
357.19019	1.7
357.22949	2.9
358.18869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.3
63.88393	1.2
69.20547	2.0
69.20950	11.6
71.01382	2.2
71.05021	2.0
73.22699	1.2
75.00871	1.9
82.89346	1.3
85.02936	2.3
95.05045	3.2
97.06580	3.0
102.05616	2.6
107.05027	1.9
108.72025	1.3
109.02936	4.0
109.06590	7.5
111.08183	3.1
116.75681	1.2
121.06591	5.3
123.08148	1.9
124.28347	1.3
125.06093	2.1
125.09721	26.4
127.11269	6.9
128.03552	2.2
137.06114	1.8
139.11278	1.3
141.05574	1.5
146.04590	2.3
149.06079	2.5
149.09804	1.5
151.07640	1.4
153.09273	1.4
155.10774	2.7
165.09198	3.6
167.07112	9.2
167.10771	3.3
171.10275	19.9
183.10332	2.4
185.08289	2.2
185.11803	2.0
187.09778	5.0
199.09756	4.3
201.11319	100.0
202.11658	6.2
209.11844	3.7
210.98833	1.4
211.09825	7.0
213.11305	4.6
215.12753	1.8
229.10783	56.6
230.11127	2.7
251.12860	1.8
253.18059	1.7
267.12387	1.5
269.13953	2.1
285.14932	7.7
297.17105	1.7
303.15961	16.6
304.16345	2.8
315.17984	1.9
321.16989	18.7
322.17487	3.2
339.18112	6.5
339.21777	1.6
357.05887	1.9
357.13565	2.5
357.18143	5.2
357.22784	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63614	0.6
59.01382	100.0
60.01726	0.9
68.22616	0.6
69.74443	1.9
69.74848	1.8
83.01400	1.6
93.86832	0.7
121.02946	7.6
121.03594	0.7
136.01643	0.7
151.04005	1.4
172.69943	0.6
192.95918	0.8
193.89714	0.7
195.13850	0.9
223.13383	9.8
224.13707	0.7
297.14093	0.8
297.17184	2.0
313.07635	0.9
327.12347	1.0
336.85666	0.7
357.06329	2.6
357.13599	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01700	1.0
61.98824	1.1
69.54942	2.6
69.55374	2.8
83.01366	1.1
98.19883	1.0
109.02985	1.0
121.02961	4.3
201.11388	0.7
205.12363	1.1
223.13443	8.2
297.17041	1.3
357.06357	1.6
357.13351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57429	0.2
57.03442	1.4
59.01375	2.1
60.99298	0.7
63.75088	0.3
67.01888	4.2
68.02202	0.3
69.03453	2.4
70.76260	0.6
71.01378	3.5
71.05007	0.4
76.52287	0.3
81.03446	1.0
82.07388	0.2
83.01389	0.4
83.05027	1.2
85.02935	0.6
87.00897	0.3
93.03452	25.9
94.03789	1.0
99.00887	0.3
109.02960	0.6
111.00856	0.9
111.04515	5.6
111.08174	0.4
113.02463	0.4
127.04001	0.4
127.07741	0.2
130.08713	0.3
137.02422	5.1
139.11293	2.1
155.03494	4.3
156.03838	0.4
173.04532	100.0
174.04901	4.1
175.85278	0.3
183.10234	9.6
184.10616	0.6
297.04013	0.9
298.04535	0.3
323.16110	0.6
357.06259	1.6
357.15524	11.2
358.16025	1.1
373.36960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01378	2.8
60.99298	0.4
67.01886	4.7
69.02145	0.2
69.03448	2.4
70.50912	0.5
70.51305	0.6
70.71906	0.2
71.01376	3.0
71.05009	0.6
72.99325	0.2
81.03453	0.8
83.01387	0.4
83.05013	1.0
85.02931	0.8
87.00854	0.4
93.03455	26.5
94.03788	1.1
95.01357	0.3
99.00860	0.4
101.02437	0.2
106.54458	0.2
109.02943	0.9
111.00886	0.9
111.04512	4.9
111.08165	0.3
113.02454	0.3
121.02962	0.4
126.32802	0.2
127.04009	0.5
130.08731	0.6
130.69661	0.2
130.70712	0.2
133.02963	0.4
136.01633	0.3
137.02441	4.7
139.10384	0.2
139.11327	1.9
139.12253	0.4
149.02411	0.3
155.03491	4.2
173.04536	100.0
174.04887	4.7
178.99843	0.3
181.29961	0.2
183.10243	8.8
183.11862	0.5
184.10605	0.5
238.73776	0.3
279.81546	0.2
285.03995	0.5
297.04044	1.0
298.04758	0.5
315.14450	0.3
357.06189	2.5
357.15536	9.8
358.06281	0.3
358.15869	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.15147	0.5
59.01375	1.8
70.60069	1.0
70.60437	1.0
76.91547	0.5
98.19875	0.7
121.02961	100.0
122.03288	4.1
165.01923	1.3
180.05823	1.9
181.06578	4.6
215.12784	0.7
225.05554	5.3
246.05511	0.7
263.53937	0.6
286.85999	0.5
289.98251	0.6
313.07141	7.7
314.07620	0.9
357.06152	39.0
358.06485	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.65757	0.9
57.03449	2.0
58.00590	2.4
59.01378	43.0
61.98821	3.0
70.55804	2.4
70.56170	2.3
71.01376	20.2
72.99304	1.8
73.02924	2.1
76.38970	1.0
82.81381	1.1
83.01385	2.8
85.02936	2.9
87.00883	1.1
89.02443	20.7
93.03451	1.5
95.01384	2.7
101.02430	13.3
108.02162	1.6
109.02972	2.3
113.02442	7.2
119.03502	7.3
119.05090	1.1
121.02946	1.9
123.04556	2.1
130.08720	5.6
134.03743	1.9
135.04514	6.1
135.38742	1.2
136.01602	1.2
136.05292	6.3
143.03477	1.2
151.03966	4.2
151.07545	1.3
161.02423	2.3
162.03224	62.6
163.03775	4.4
173.04503	2.6
177.05563	100.0
178.05936	6.6
183.10207	2.0
185.16525	1.2
191.05685	1.6
195.06610	59.2
196.06931	3.8
202.67032	1.0
205.34122	1.1
317.86285	1.3
357.11853	2.3
357.21347	4.2
358.22919	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	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.1
59.01380	8.7
61.65664	0.6
61.98830	4.3
69.03454	12.5
71.01373	2.3
71.05023	2.2
74.02493	0.8
79.11931	0.6
81.03458	0.7
81.63229	0.7
82.79140	0.6
83.01376	1.1
85.02909	1.0
89.02426	0.9
93.03456	6.2
98.20690	1.4
101.02455	1.5
111.04517	3.6
111.08154	2.9
112.09873	0.6
113.06107	1.5
121.02942	0.8
123.08170	1.5
130.02844	0.7
136.01660	2.4
137.02461	0.9
139.11288	15.7
141.40591	0.6
151.03976	3.6
155.03511	5.0
165.31477	0.7
173.04533	13.1
174.04771	0.6
179.03653	0.6
183.10251	100.0
184.10553	5.5
191.05551	1.1
195.02939	0.9
203.31192	0.7
223.34183	0.8
265.01721	0.7
340.50507	0.6
357.15646	15.9
357.20966	1.0
358.15836	2.0
358.22235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56286	30.0
59.01369	58.9
61.98822	67.2
70.52485	50.5
70.52859	54.1
83.01423	43.2
85.04903	29.9
95.16374	27.2
96.08130	28.7
102.86741	31.1
137.78566	28.4
157.27260	31.3
319.39749	30.4
321.24350	66.9
357.13339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48476	2.9
59.01369	3.3
61.98833	100.0
69.41769	22.9
81.31281	2.9
83.01379	6.4
98.20703	6.7
284.16092	3.2
327.12421	3.5
357.13458	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	355.2488
Annotation	Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03461	4.0
59.01378	5.0
61.98826	2.0
69.03450	3.6
71.01372	2.2
71.05015	2.0
71.20921	0.9
71.55803	1.4
78.22280	0.7
81.03461	1.3
85.02950	17.2
95.05023	1.0
97.02954	2.9
97.06586	4.4
109.06609	1.3
121.02916	4.0
125.09702	1.7
133.02917	1.0
134.03703	1.8
137.09715	4.3
147.02956	0.8
155.14452	0.9
173.04510	2.4
199.13394	30.0
200.13748	2.4
211.17055	1.3
221.15559	1.0
229.14444	2.1
231.10378	1.0
237.15050	1.3
239.16515	9.8
240.16829	1.0
249.14928	2.1
257.17596	6.8
258.17630	0.9
267.15976	1.4
275.09158	2.7
283.15485	1.1
305.17664	0.9
311.09204	1.9
337.24078	1.3
355.08026	2.0
355.21405	4.0
355.24896	100.0
356.25296	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.98832	100.0
69.04321	0.5
70.07397	1.8
74.42461	0.5
90.98830	0.5
104.38462	0.6
107.40084	0.5
121.02971	1.0
134.68523	0.7
193.42545	0.6
195.12823	0.5
222.65289	0.6
357.13446	0.9
357.20874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.58674	1.5
61.98832	3.1
63.21063	1.7
71.55925	1.7
75.29413	1.8
77.25150	1.6
79.19943	1.5
79.71819	1.5
83.05032	2.5
85.02974	4.5
97.06581	3.0
109.06596	8.9
125.09693	1.9
127.07705	2.4
143.07147	2.5
151.11273	11.0
209.03085	2.1
210.17203	1.7
227.12865	1.8
261.18713	4.6
263.16565	11.4
275.20178	2.4
277.18146	3.6
279.19592	3.9
293.21143	6.9
295.19144	17.2
305.17621	3.8
337.20160	2.1
355.21289	44.0
355.25507	2.8
356.21634	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.99429	0.9
59.01384	1.5
61.98835	0.9
69.63081	5.7
73.13041	0.9
85.02946	1.3
87.40388	1.0
98.19911	1.9
109.02930	1.4
111.00877	1.4
122.03741	11.3
122.10311	0.9
127.07658	1.5
129.26895	1.0
135.04536	23.9
136.01656	2.0
136.04828	1.1
147.08173	3.0
149.06032	1.6
149.09732	7.0
151.07675	2.4
154.02707	1.9
155.10674	0.9
161.09712	9.1
163.07672	4.4
163.11295	56.9
164.08435	16.6
164.11598	2.8
165.09198	8.1
167.39996	1.1
177.09213	67.6
178.09978	20.8
179.10780	73.6
180.11122	6.0
183.10269	2.8
187.11388	1.9
191.10785	11.4
192.11375	1.0
193.08734	8.3
265.12280	1.4
280.14722	3.8
298.15732	50.2
299.16187	4.7
307.16879	1.7
309.22131	1.2
321.18726	1.0
322.19421	1.2
337.17636	2.1
337.21741	54.6
338.22079	8.3
340.20432	91.7
341.20758	13.2
355.22794	100.0
356.23117	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	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03440	7.0
58.54013	0.8
59.01374	14.0
61.98807	2.8
71.01394	5.1
71.54040	1.1
71.96427	0.7
72.99306	1.0
73.02943	0.8
75.00863	1.4
75.96189	0.9
83.01374	1.7
84.02151	1.9
85.02946	64.9
86.03290	1.2
89.02421	1.7
93.03456	3.7
98.49988	0.7
101.02487	0.8
103.00320	0.9
111.00851	2.5
111.04499	2.7
115.00388	0.9
119.05009	9.0
121.02950	100.0
122.03312	4.0
129.01935	5.1
133.01430	1.4
141.32330	0.8
147.02975	7.6
155.03455	2.8
163.04001	2.2
173.00882	1.9
173.04535	20.0
181.05046	64.5
182.05426	4.1
191.01964	19.8
191.05597	2.4
209.03021	31.5
261.10989	0.9
355.10352	9.0
356.10718	1.5
357.48785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1579
Annotation	Dipegine
Peak:m/z	Relative Intensity
59.01387	0.4
61.98818	1.3
84.93908	1.0
85.02955	0.7
99.92580	50.7
100.92596	2.7
100.93375	2.1
115.92075	29.0
116.92855	100.0
117.92888	5.7
117.93650	1.0
127.95703	0.5
132.92313	0.5
174.48149	0.5
199.00690	4.5
225.22179	1.1
229.01903	0.5
311.16757	1.4
325.14786	1.0
343.15781	1.9
349.58514	0.4
355.15759	72.7
355.19550	9.1
355.32175	1.0
356.16000	13.6
356.19650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1915
Annotation	7,8-Dehydrocyclospongiaquinone
Peak:m/z	Relative Intensity
50.56978	0.7
50.79264	0.7
59.01370	2.6
61.98824	1.6
69.71141	3.1
71.01392	0.7
85.02944	1.1
93.03464	1.1
95.05024	2.1
105.07077	1.0
107.05012	2.3
109.06593	8.0
110.06882	0.7
113.02476	0.7
119.05013	1.9
120.05895	0.6
121.02962	2.1
122.03764	4.6
132.05806	1.2
133.06601	25.9
134.03735	1.0
134.06906	1.5
135.04529	7.5
136.05322	4.3
145.06610	18.5
146.07014	1.0
147.04504	1.4
147.08157	8.2
147.89117	0.6
148.05284	0.9
149.06079	10.8
161.06087	0.9
161.13385	0.9
163.07632	3.5
173.76440	0.6
177.09169	1.8
189.09212	8.5
191.10780	1.0
205.12372	1.2
207.10330	0.7
213.17522	0.8
214.16277	0.7
215.10666	0.9
237.12715	0.7
257.11841	6.2
258.12125	0.9
269.11765	4.3
281.19131	1.0
293.19116	1.0
296.50214	0.7
325.18091	27.8
326.18439	4.2
337.18079	28.8
338.18365	3.0
355.19131	100.0
356.19501	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	354.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86344	8.0
59.01373	26.2
61.98827	100.0
71.56673	13.3
74.64119	7.8
85.02922	10.2
87.34940	9.7
90.68772	7.3
104.03874	7.5
156.83138	8.0
156.85641	10.7
168.33672	8.8
170.63100	9.9
193.04808	7.2
208.42569	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	355.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
57.03445	14.6
59.01382	6.6
64.68225	0.8
68.99825	1.0
69.81255	3.7
69.81667	1.9
71.01376	5.6
72.99296	2.1
75.00864	2.3
76.53107	1.1
83.01398	2.2
84.02157	2.0
85.02947	100.0
86.03284	1.9
87.00896	1.5
89.02427	1.8
98.20641	1.5
103.00352	2.3
111.00874	4.4
115.00366	1.3
119.05038	2.4
129.01949	7.2
133.01413	2.0
147.03015	8.0
153.73517	1.1
163.03947	1.3
173.00870	1.6
173.04517	1.2
191.01959	27.8
209.03012	47.3
210.03362	1.8
329.01132	1.1
355.06625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
50.76310	0.4
55.01896	0.4
57.03457	0.7
59.01377	2.2
61.98825	4.4
69.82111	1.3
69.82514	0.7
71.01386	1.2
85.02940	6.5
87.00877	0.6
89.02454	0.5
93.03468	0.7
96.96000	0.7
98.20718	0.4
100.24247	0.4
101.02476	0.7
105.17023	0.4
106.04248	0.6
109.02963	0.5
110.83533	0.4
111.00916	0.8
121.02947	1.4
133.02948	1.5
134.03731	58.3
135.03995	2.5
137.02434	8.5
139.03999	2.7
147.02963	0.7
149.06068	16.4
150.03235	0.7
150.06413	1.0
165.02023	0.5
173.04546	1.0
175.02452	0.4
175.03958	0.9
178.02695	34.6
179.03033	1.8
191.01926	1.4
191.03516	0.7
191.05585	1.8
192.05946	0.6
193.05023	100.0
194.05351	5.6
209.02959	2.9
212.97205	0.4
221.08113	0.7
318.63962	0.4
355.10135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03044	0.6
55.87828	0.6
57.03452	0.8
59.01382	100.0
59.48486	0.7
60.01719	1.5
61.98831	10.7
69.03452	0.7
69.47106	2.7
69.47528	1.9
71.01381	6.1
73.02944	2.1
81.03497	0.7
83.05055	1.0
85.02953	7.8
87.00897	1.6
89.02501	1.2
92.90437	0.5
93.03459	7.9
94.03803	1.1
95.01404	0.9
96.96022	0.8
98.20649	0.8
99.00882	0.9
101.02468	4.5
109.02950	7.6
110.71699	0.6
111.04547	2.6
113.02452	3.0
121.02982	0.8
127.04052	2.0
130.14520	0.6
131.03708	0.9
133.02985	4.8
134.03709	2.3
135.04539	21.7
135.05510	1.3
136.04892	1.9
136.07675	0.8
137.02487	1.7
147.04521	0.6
149.02527	0.9
155.03534	2.4
159.03069	0.8
161.02464	1.7
161.04568	4.5
161.05699	0.6
162.02800	0.8
173.04550	16.9
174.04916	2.6
176.04039	0.9
176.54225	1.2
177.01933	1.2
178.02763	0.8
179.03510	21.1
179.07021	1.4
180.03857	1.4
191.05620	56.0
192.05936	5.5
218.81490	0.6
265.55420	1.0
266.05969	0.9
267.31039	0.6
293.16061	13.3
294.16589	1.3
295.05780	0.6
339.05179	2.3
340.05502	3.6
349.83246	0.6
353.08722	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	353.2118
Annotation	Guayulin B
Peak:m/z	Relative Intensity
65.48666	0.2
71.13129	0.4
92.51349	0.2
96.96002	0.4
125.09824	0.2
144.32716	0.2
151.06711	0.2
161.06081	0.3
163.11276	88.1
164.11598	5.6
167.74672	0.3
169.12273	0.3
170.58003	0.2
177.09195	71.0
178.09557	4.4
192.33510	0.2
194.05777	0.3
222.09026	0.4
277.83597	0.2
353.21176	100.0
354.21503	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	353.0877
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
51.47359	0.4
57.48590	0.4
59.01378	3.7
61.98825	3.7
65.10841	0.4
67.01886	1.1
70.55306	0.9
70.55676	0.9
71.01395	1.0
73.02950	0.5
78.69653	0.4
80.54864	0.4
83.05023	0.8
85.02956	8.3
85.23730	0.4
87.00880	1.8
93.03471	6.5
99.04494	0.6
107.05030	1.5
109.02955	2.3
111.04504	1.9
117.99835	0.5
121.02971	0.6
123.09056	0.5
127.04005	2.8
129.63983	0.5
133.02956	1.3
134.03789	3.0
135.04532	26.6
136.04842	1.7
137.02402	0.7
148.67361	0.5
155.03511	1.5
161.02405	2.2
163.04025	0.7
173.04541	14.8
174.04897	0.6
179.03505	24.4
180.03824	1.6
191.05614	100.0
192.05986	4.3
204.03648	0.4
353.08783	6.1
354.09073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.1
59.82265	2.9
60.22787	3.0
61.98835	15.0
68.40065	3.1
71.01382	19.0
71.55156	5.5
72.57375	3.0
85.02962	5.9
87.00868	6.0
89.02415	3.3
93.03445	16.8
96.96011	59.6
99.00883	43.0
101.34837	3.3
108.02216	3.7
109.02970	4.6
111.00856	3.7
111.04513	7.2
113.02499	2.9
121.02963	6.4
123.04496	5.1
124.01587	3.4
133.02974	21.7
134.03786	25.0
135.04541	56.3
136.04855	5.0
137.02441	5.1
145.02963	9.2
146.03754	6.5
147.04515	12.1
148.01700	10.7
148.05280	16.2
149.05978	9.7
155.03525	6.0
156.03128	5.1
156.53357	8.3
158.03777	6.4
159.04520	17.8
160.01610	5.7
160.05315	31.5
161.02431	24.2
161.06035	9.3
162.03235	62.5
162.06818	7.7
163.03972	19.4
163.07610	9.4
164.04776	8.5
172.05290	8.9
173.04553	32.7
173.06084	60.8
174.03214	9.4
174.04836	3.8
174.06728	5.3
175.03990	18.3
175.07620	5.6
176.04764	14.0
177.01952	6.6
177.04091	5.5
177.05583	100.0
178.02611	4.6
178.06250	12.8
178.52943	5.9
179.03508	27.2
179.07104	6.7
180.03891	5.2
184.05247	19.2
185.06047	5.3
187.04037	20.5
188.04794	59.0
189.05458	13.8
190.02774	21.1
190.06303	21.0
191.03656	5.9
191.05606	48.6
191.07166	8.4
192.04355	3.6
193.08714	8.1
194.02203	3.9
195.06619	5.4
199.07616	5.5
201.05571	10.4
202.06381	33.9
203.03574	5.6
203.07150	21.1
204.04266	32.1
205.05040	38.6
205.08691	6.9
206.05443	3.4
207.06651	9.2
215.03500	8.3
216.04233	7.2
217.08708	84.9
218.02185	7.5
218.09013	7.3
219.03001	9.2
219.06624	87.3
220.03737	6.1
220.07014	3.9
221.08194	53.6
231.06628	43.2
232.07059	5.1
233.04562	11.3
235.06117	48.8
236.06644	4.6
247.06096	4.3
249.07657	51.3
250.07957	4.8
251.05614	52.4
252.05850	3.8
261.07693	6.7
265.07190	9.1
273.07712	3.6
293.06674	55.4
294.07001	4.3
309.09689	8.1
353.08710	44.3
353.12759	21.9
354.09253	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	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31931	1.0
58.00614	1.1
59.01378	100.0
60.01707	2.3
61.98820	6.4
66.85054	1.0
68.99557	3.0
71.01006	1.9
71.01384	27.2
71.54343	1.2
72.00918	6.6
72.99290	1.7
73.02925	2.1
80.45814	1.0
80.96468	1.3
83.01373	1.3
85.02941	6.9
87.00876	3.2
89.02443	30.4
90.22192	1.1
93.03448	2.7
95.01381	2.5
95.05036	1.7
96.95995	5.2
99.00882	1.7
101.02442	15.6
105.03449	5.8
109.02966	1.1
109.57493	1.0
111.04486	2.3
112.98547	2.6
113.01829	1.1
113.02454	11.2
119.03493	10.8
120.03761	1.0
123.04495	3.5
129.05586	8.6
131.03481	2.1
133.02959	38.7
133.99489	1.0
134.03265	2.3
135.04512	2.4
136.04074	1.7
137.02377	1.2
138.05632	1.6
141.98193	1.2
143.03513	2.7
147.04529	23.9
150.94737	1.1
153.05537	5.6
155.03467	1.5
161.04585	6.3
164.07158	62.0
165.07472	3.7
166.29044	0.9
173.04576	10.0
177.01915	17.9
178.02344	1.2
179.05563	8.9
188.05907	3.6
189.07652	1.2
191.05652	7.3
291.10840	12.6
292.11072	1.7
339.05121	2.3
351.08087	2.0
351.12964	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85879	0.5
57.78919	0.5
57.94739	0.5
59.01381	100.0
60.01719	1.4
61.98838	0.8
69.67432	3.3
71.01399	1.8
85.02971	2.2
87.00926	0.7
89.02459	0.8
93.03468	4.3
101.02454	1.0
111.00933	0.5
111.04550	1.1
127.04093	0.7
130.24806	0.6
133.02971	5.3
135.04533	3.7
137.02449	0.9
139.36377	0.6
145.02988	1.0
156.03271	0.9
161.02499	1.3
166.05072	0.7
173.04549	9.6
176.04028	1.3
177.01967	2.1
179.03526	1.6
191.05629	6.5
289.12024	1.0
307.12790	1.4
309.13571	1.3
311.05658	0.6
339.05164	2.2
351.07263	1.0
351.11459	1.3
351.20340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48077	0.3
59.01377	100.0
60.01719	1.4
61.98830	1.7
64.70940	0.4
71.55819	0.5
73.39293	0.4
81.73310	0.5
90.00050	0.4
93.03483	0.7
116.00722	0.5
133.02946	2.7
135.04486	0.7
137.02460	0.4
173.04565	2.2
177.01938	0.8
191.05708	1.3
245.12170	0.8
351.14938	1.3
363.82123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1703
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
52.89814	1.9
58.50072	1.7
59.01375	11.0
71.56007	1.9
71.56360	1.6
95.05038	4.1
118.92992	1.9
128.87860	3.5
139.65721	1.7
141.05415	1.8
146.36308	1.7
195.13852	6.4
223.13412	5.2
237.79179	1.8
246.12260	2.6
275.20197	3.1
278.11310	9.6
293.17941	3.0
293.21191	38.8
294.21625	3.9
313.02734	2.5
327.88828	1.7
351.00406	4.1
351.17053	100.0
352.17395	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	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01866	3.8
57.03433	2.4
58.00587	3.8
59.01377	100.0
61.98824	9.1
69.03452	1.5
69.77073	4.7
71.01379	77.1
72.01736	1.2
72.99309	5.5
73.02946	10.7
75.00873	1.9
80.96499	1.2
83.01389	6.2
85.02941	22.2
87.00861	5.6
87.04527	1.4
89.02441	60.9
90.02789	1.0
93.03456	1.3
95.01384	5.5
96.95952	1.1
97.02978	1.3
99.00871	4.5
101.02437	48.7
102.02754	1.0
111.08142	0.9
113.02447	32.1
113.08974	0.9
119.03493	26.5
121.68459	1.0
125.02434	1.2
125.09689	1.5
128.03546	1.4
130.08804	1.3
131.03494	2.9
143.03510	5.9
149.04523	3.2
159.02988	3.4
161.04549	24.3
169.08727	1.5
173.04532	2.1
179.05589	11.3
181.12430	1.2
186.92607	1.0
187.13377	10.4
191.05623	3.0
203.01564	1.0
209.96077	1.0
263.03491	1.5
270.34528	1.0
335.02032	1.4
349.14810	5.0
349.18646	75.0
350.15164	1.1
350.18936	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	349.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57277	2.1
59.01377	7.8
60.13990	2.2
61.98802	2.6
69.95842	8.5
71.01392	2.2
75.75610	2.0
76.53178	2.3
80.19247	2.0
83.25989	2.2
93.03459	2.4
168.23547	2.2
190.43227	2.4
293.18393	3.3
293.21286	39.3
294.21603	3.4
311.22290	100.0
312.22562	12.8
313.22903	8.6
349.16730	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	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98834	13.2
71.01380	1.5
85.02937	1.4
93.03447	1.4
96.96028	1.5
147.62331	1.1
191.05589	2.5
227.14320	2.0
231.13831	1.6
234.02298	2.9
253.15718	1.2
262.05475	2.2
271.17029	6.0
287.09311	12.3
305.06052	2.3
349.13068	2.6
350.23291	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	350.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63447	0.6
54.61552	0.5
55.59579	0.5
59.01382	2.4
61.98833	100.0
62.05104	0.5
65.85667	0.5
69.25748	4.8
71.01394	1.0
84.34237	0.5
85.02958	0.8
86.62184	0.5
93.03493	1.3
94.96526	0.5
96.95992	0.5
115.07672	1.6
133.02974	1.7
161.78127	0.5
173.04570	2.6
177.01935	0.9
191.05627	2.0
197.11861	8.3
314.19781	0.8
334.01331	1.0
336.88699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
57.03433	2.4
58.00587	3.8
59.01377	100.0
61.98824	9.1
69.03452	1.5
69.77073	4.7
71.01379	77.1
72.01736	1.2
72.99309	5.5
73.02946	10.7
75.00873	1.9
80.96499	1.2
83.01389	6.2
85.02941	22.2
87.00861	5.6
87.04527	1.4
89.02441	60.9
90.02789	1.0
93.03456	1.3
95.01384	5.5
96.95952	1.1
97.02978	1.3
99.00871	4.5
101.02437	48.7
102.02754	1.0
111.08142	0.9
113.02447	32.1
113.08974	0.9
119.03493	26.5
121.68459	1.0
125.02434	1.2
125.09689	1.5
128.03546	1.4
130.08804	1.3
131.03494	2.9
143.03510	5.9
149.04523	3.2
159.02988	3.4
161.04549	24.3
169.08727	1.5
173.04532	2.1
179.05589	11.3
181.12430	1.2
186.92607	1.0
187.13377	10.4
191.05623	3.0
203.01564	1.0
209.96077	1.0
263.03491	1.5
270.34528	1.0
335.02032	1.4
349.14810	5.0
349.18646	75.0
350.15164	1.1
350.18936	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42809	0.4
55.01878	0.5
57.03440	0.9
59.01377	100.0
60.01723	1.1
61.98809	1.0
66.20537	0.5
67.01897	1.4
69.03454	0.9
69.26037	4.2
71.01380	11.5
71.46835	0.4
72.99319	0.6
73.02946	3.3
73.46187	0.4
73.89111	0.4
76.29687	0.4
78.13585	0.5
78.98580	0.6
79.95746	3.1
80.96516	6.9
83.01385	1.2
85.02943	5.3
85.42590	0.4
87.00870	1.2
89.02436	2.5
93.03454	7.9
94.44937	0.4
94.98090	1.7
95.01389	0.8
97.02969	0.6
98.19846	0.7
99.00889	1.6
101.02445	7.3
111.00819	0.5
111.04513	1.7
113.02443	3.4
119.03491	0.6
120.99644	0.7
122.97615	0.5
125.02480	0.7
137.02451	1.8
143.03456	0.6
145.12375	1.4
148.99112	1.0
152.98656	0.6
155.03517	1.3
159.03008	0.7
161.04541	5.8
164.98636	1.6
173.04536	19.3
183.13957	1.1
191.05580	7.2
191.07188	0.6
209.11916	0.6
225.00673	2.9
233.02473	0.5
234.03233	1.1
263.08856	0.7
265.62296	0.4
289.16614	1.3
305.00775	0.9
306.01385	1.0
307.17584	9.6
308.18048	0.8
333.00497	1.5
334.01144	1.5
349.18759	2.1
350.11469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01669	0.6
59.01381	100.0
60.01717	1.2
61.98840	0.6
71.01384	3.4
71.55711	0.8
72.68088	0.5
72.99325	0.7
73.02970	1.4
78.80312	0.5
83.01389	0.7
85.02973	1.5
87.15045	0.5
89.02463	2.3
93.03458	0.6
101.02438	2.8
107.46910	0.5
113.02470	1.2
119.03501	1.3
119.51958	0.5
120.01280	0.8
135.94867	0.5
161.04585	1.2
173.04544	1.0
179.03693	0.5
191.05630	0.7
193.17755	0.5
211.13466	0.5
245.12167	1.2
263.13324	1.8
314.20776	0.6
349.14319	0.9
349.18774	2.9
350.16486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50393	0.5
55.01882	0.5
59.01381	100.0
60.01715	1.0
61.98843	0.9
62.14957	0.6
69.17681	5.6
71.01373	5.1
73.02956	1.0
85.02959	1.4
89.02455	4.2
93.03471	1.0
94.03800	0.6
98.20663	1.2
101.02411	3.6
113.02471	2.3
119.03517	2.2
136.07762	0.9
138.05678	0.8
161.04588	1.4
173.04614	1.8
174.04892	0.7
175.05070	1.8
187.13533	0.8
187.35776	0.6
191.05574	0.8
349.14670	2.8
349.18805	2.3
350.17471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.65048	0.7
56.47380	0.9
57.03429	1.1
57.28843	0.8
58.00584	1.8
59.01379	33.9
60.32344	0.8
69.32075	7.8
71.01375	17.7
72.99306	3.5
73.02921	0.9
75.00839	1.0
83.01340	1.2
85.02944	4.0
87.00890	1.1
88.04034	0.8
88.48335	0.9
89.02442	13.4
95.01365	1.8
96.95994	0.8
101.02443	9.7
104.42417	0.8
113.02457	6.2
117.03473	10.1
119.03622	4.2
119.05022	26.5
120.05318	1.5
139.11314	1.0
141.12849	29.0
141.13966	1.4
142.13220	1.2
145.02948	45.4
146.03308	1.3
157.12283	1.1
163.03999	50.8
164.04308	2.8
169.12291	5.1
171.13901	1.5
183.13872	2.1
185.11784	1.8
187.13387	52.8
188.13722	3.0
203.12903	4.0
213.36664	0.8
247.07846	2.0
247.16267	1.5
271.52478	0.8
349.18634	100.0
350.19022	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	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.63275	0.8
55.01880	1.4
57.03427	2.5
58.00589	1.8
58.05721	0.8
59.01382	100.0
60.01716	2.0
61.98836	1.0
62.65580	0.9
62.99714	0.8
71.01383	35.0
71.70295	1.0
72.99297	3.1
73.02948	4.7
75.00900	4.5
83.01395	4.5
85.02947	10.6
86.23257	1.0
87.00877	1.9
89.02451	25.0
95.01397	1.5
96.96029	1.2
98.20661	2.2
99.00863	2.0
101.02454	20.3
111.00862	1.1
113.02462	11.5
119.03503	12.1
121.10258	1.3
128.49805	1.0
159.02954	0.9
161.04544	3.7
167.10756	11.4
173.04535	4.1
185.11826	3.3
186.55774	0.9
188.04739	1.0
206.05847	1.3
305.16281	2.1
305.19611	1.6
329.16205	1.5
347.17102	94.9
347.20490	5.0
348.17532	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	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
59.68650	0.2
61.98828	100.0
62.98526	0.5
63.99261	0.3
69.83055	0.2
73.37060	0.2
88.46958	0.1
146.95189	0.2
162.98466	1.8
164.96381	0.3
170.37015	0.2
192.93266	0.2
203.99956	0.7
205.00166	1.9
205.99725	2.5
206.97443	64.6
207.97542	5.0
266.89673	0.2
348.98581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22714	0.5
52.16860	0.5
57.03439	1.8
59.01385	2.8
67.01894	4.7
69.03425	0.8
69.24356	4.1
69.24763	1.1
70.41268	0.7
71.01385	3.7
81.03447	0.6
83.05022	2.7
85.02940	1.0
87.00880	1.2
89.64491	0.5
93.03455	23.7
94.03786	0.8
95.78839	0.6
101.02406	1.0
109.02923	1.1
111.00880	1.4
111.04517	4.7
111.08159	18.1
112.08453	0.7
116.10416	0.6
127.04018	0.7
129.09167	0.6
136.17909	0.6
137.02426	4.9
155.03474	4.5
173.04539	100.0
173.08151	24.5
174.04890	4.2
174.08517	1.6
180.16571	0.6
191.05675	1.4
347.13431	18.9
347.17139	2.3
348.13766	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29404	0.4
51.75409	0.3
59.01376	16.9
59.12341	0.3
60.01714	1.3
61.01811	0.5
61.98827	100.0
70.99200	0.8
87.65755	0.4
159.03329	0.5
177.64713	0.4
189.91739	0.3
192.27182	0.4
201.02563	2.7
202.02695	8.1
203.02274	10.4
203.99977	46.8
204.02643	2.4
205.00122	4.1
346.00900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95072	0.6
57.03441	1.9
57.28885	0.5
59.01376	17.7
60.99300	4.1
67.01888	11.0
69.03442	3.4
69.41850	4.7
71.01382	8.2
73.02944	1.6
81.03448	2.8
83.05024	3.5
85.02940	4.3
87.00874	15.7
88.39552	0.5
89.02431	1.1
93.03454	73.0
94.03770	2.8
96.04540	1.9
99.00864	1.2
99.04512	0.9
101.02422	2.1
109.02955	1.0
109.06583	1.0
111.04510	11.5
111.08155	14.8
113.02449	1.5
113.09721	0.7
118.05199	0.7
120.01218	1.7
120.08205	1.4
122.02436	1.0
123.03236	1.3
124.04034	9.4
125.04429	0.6
127.03992	0.9
129.01949	2.9
129.09198	1.0
135.04507	0.8
135.05588	1.0
136.07707	0.6
137.02412	1.4
145.72046	0.6
148.07677	1.6
155.03479	3.1
173.04536	32.5
173.08163	8.7
173.11821	12.2
173.13216	0.4
174.04904	1.3
177.42567	0.6
184.11330	0.7
191.05595	23.7
192.05910	0.8
201.10382	0.8
217.09758	0.6
227.12080	0.7
229.54465	0.8
243.12079	0.7
259.14230	0.8
261.12576	1.2
271.10910	1.0
289.11887	5.3
317.11481	4.0
321.44522	0.7
329.11670	0.9
347.13351	100.0
348.13730	9.6
353.46124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16699	0.7
54.86876	0.7
57.03430	2.5
59.01362	1.3
69.43050	1.4
69.43474	4.0
71.01377	1.4
83.05018	8.1
87.07216	0.6
93.03454	3.8
98.20638	0.8
101.02529	0.6
109.06554	2.6
111.04498	2.2
111.08155	63.7
112.08520	3.1
122.06106	1.2
129.09216	3.5
130.28334	0.6
130.35632	0.6
137.02428	0.7
144.04500	0.8
146.94363	0.6
155.03470	3.4
159.39072	0.6
169.05721	0.8
173.04591	13.0
173.08174	100.0
174.08548	4.8
191.05627	1.4
193.46109	0.6
243.49152	0.7
252.09244	0.9
267.11307	1.7
285.12564	1.5
303.13516	1.1
311.10431	0.9
329.11310	1.0
338.38199	0.7
347.13397	26.4
348.13776	2.3
359.76193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79097	32.0
59.01382	81.2
62.02144	32.3
71.55399	38.9
93.91784	34.7
103.79071	30.9
144.11716	36.7
144.84982	36.6
176.62488	34.7
203.27864	33.3
209.11836	100.0
236.79248	34.0
290.96786	34.0
291.19809	82.6
309.20834	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.1
64.15352	1.1
69.57716	3.3
69.58128	4.8
85.53911	1.1
130.17197	1.2
165.70088	1.1
263.20129	100.0
264.20486	9.3
345.20383	21.9
346.20697	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.40538	0.3
59.01380	29.1
62.23452	0.3
70.60072	0.8
70.60412	0.4
72.99281	0.4
75.82259	0.3
79.33542	0.4
82.23421	0.3
94.38483	0.4
96.95985	0.7
97.06594	0.4
99.08171	4.3
109.06589	0.7
111.08120	0.9
113.09720	3.1
123.08131	1.1
125.09723	1.1
127.11274	0.8
129.08318	0.6
129.09221	9.1
139.11308	0.9
141.09172	0.9
143.10776	8.2
146.04095	0.4
155.10791	1.6
157.12326	1.3
169.12302	0.6
202.60480	0.3
209.19156	0.4
227.20139	1.4
235.16989	0.4
237.18596	5.1
238.19032	0.5
239.20067	2.2
255.19681	2.5
257.21222	11.1
258.21597	0.8
285.20697	19.8
286.21228	1.9
303.21762	100.0
304.22110	9.3
345.22815	32.0
345.27161	0.8
346.23151	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	345.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69717	0.6
54.12929	0.5
55.01858	0.6
58.02978	4.1
58.57335	0.6
59.01378	5.1
59.34823	0.5
61.98826	0.7
69.03452	0.8
71.01385	2.2
71.25646	1.1
72.04559	3.4
72.77229	0.6
78.95866	0.6
81.03455	0.9
82.02980	0.8
83.01376	1.2
84.04545	1.1
85.02933	1.0
88.04035	56.8
89.02426	0.9
89.04362	0.8
92.58912	0.6
93.03450	2.3
94.03003	1.1
96.04543	1.6
97.02940	0.7
98.06117	2.9
99.00880	1.6
100.04032	5.9
101.02425	1.2
108.04539	1.0
111.00884	0.8
112.04021	2.2
113.12201	0.6
114.05589	3.6
116.07171	16.5
123.04514	2.4
124.04023	5.1
125.02424	0.8
127.07673	1.9
135.04533	0.6
136.04028	4.4
138.03209	1.6
140.03523	1.1
142.05070	2.7
158.04602	0.9
160.06140	15.2
161.06340	0.7
168.04240	1.8
171.06618	1.4
173.04549	4.3
179.03479	0.7
181.05070	0.9
183.06633	3.3
184.06136	1.3
191.05548	1.7
202.07201	5.2
267.09988	0.6
290.97003	0.8
345.12985	100.0
346.13278	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	345.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11867	0.4
57.03449	0.7
59.01376	2.6
59.98524	0.5
69.44113	3.5
71.01369	1.7
71.05009	0.5
72.02177	0.7
73.02934	0.7
81.03448	0.6
82.95455	0.4
83.05025	0.8
87.00872	100.0
88.01213	2.0
93.03449	1.3
96.89291	0.4
97.02961	0.4
97.06555	0.6
125.09793	0.7
127.11331	0.5
136.05295	2.0
140.43974	0.4
141.21516	0.5
142.72163	0.6
150.45018	0.6
153.12822	1.0
169.12364	1.3
171.10249	1.2
173.04527	2.8
181.12331	2.8
189.12820	0.8
201.11452	0.5
207.13901	1.8
209.11858	1.6
211.13411	0.8
215.14655	0.9
223.13385	4.3
225.11348	0.6
229.14587	0.7
233.11810	3.6
239.16515	0.6
241.14424	33.3
242.14804	2.7
251.12866	14.2
252.13007	1.0
262.89484	0.5
266.40271	0.5
273.17032	5.9
283.15564	5.2
295.11923	1.4
313.12863	0.9
327.14502	2.3
345.15558	4.8
345.22583	5.2
346.16052	0.6
346.22311	8.7
346.25949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98671	0.4
57.03438	1.5
57.27558	0.5
57.49759	0.6
59.01379	5.3
60.99308	0.9
61.98825	0.8
66.03185	0.5
66.61269	0.5
67.01885	4.6
69.03472	0.7
71.01389	4.4
71.54919	0.7
72.00874	0.6
73.27274	0.5
75.00873	1.0
81.03431	0.6
83.05013	0.8
85.02954	1.8
87.00871	2.0
93.03460	30.2
94.03797	1.1
99.00851	0.6
99.04447	0.7
101.02416	0.6
102.83096	0.6
109.02952	1.6
109.06580	1.3
111.00916	1.0
111.04528	4.5
113.02497	0.9
118.05112	2.1
119.05025	1.0
122.12213	0.5
126.25948	0.5
127.07659	23.4
128.07977	1.1
133.02960	1.3
134.21655	0.5
135.04523	1.8
137.02466	4.8
138.04242	0.5
142.01648	0.9
155.03523	5.6
163.03969	1.0
171.06624	17.5
171.10229	1.3
172.07031	1.2
173.04549	100.0
174.04916	4.6
179.03531	1.1
191.05621	8.1
217.10744	1.5
229.04259	0.8
257.12909	0.9
258.06369	1.3
336.89804	0.5
345.11902	15.8
345.15417	1.0
346.12311	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	344.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65481	0.4
53.20544	0.4
56.19894	0.5
57.03450	1.1
58.00591	1.3
59.01378	3.2
60.08941	0.5
61.83237	0.4
69.19516	2.6
69.19948	1.8
70.02979	0.8
71.01381	5.5
71.05031	2.3
73.02957	1.3
81.02202	11.4
81.02680	0.6
82.02977	0.9
83.05025	0.7
85.06591	0.7
85.98187	0.4
96.04541	0.6
110.06089	0.6
115.07620	1.1
130.08768	0.6
137.22916	0.4
166.12370	0.5
169.16002	0.7
173.04562	2.1
180.13905	0.8
183.13895	1.7
197.15411	2.8
199.16975	1.9
206.15485	1.9
208.17068	0.8
209.15569	0.5
211.17198	0.6
220.17058	3.3
222.14932	0.7
225.18637	1.2
227.16495	1.8
227.20169	1.0
228.74319	0.5
229.18074	0.8
232.17093	0.9
236.16553	3.1
236.20148	0.7
237.18704	1.1
238.18103	3.0
240.19705	1.0
246.18532	0.6
246.98103	0.5
248.16550	1.1
248.20071	0.5
249.18607	1.3
254.21307	0.7
254.50743	0.5
255.19678	10.5
256.19977	0.9
257.21252	0.8
264.19720	4.0
266.21283	0.7
267.19656	1.2
268.19226	0.7
274.18073	0.6
276.19788	2.4
278.21198	3.6
282.20633	0.7
283.19070	1.2
285.17789	1.0
285.20728	11.5
286.20938	1.3
290.21375	0.7
294.20740	62.5
295.21039	5.8
296.22311	0.8
306.20798	6.6
308.22333	0.6
310.20224	1.2
312.21820	14.7
313.22064	1.8
324.21783	2.9
325.22263	0.6
344.24405	100.0
345.24722	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.72990	0.3
57.03454	0.7
59.01385	3.1
59.93253	0.3
69.03465	1.5
70.63758	1.0
83.05021	1.4
96.96008	0.4
97.06585	1.1
99.07549	0.8
99.08157	9.3
100.08553	0.3
100.30367	0.4
121.02905	0.4
121.10197	0.5
125.09735	2.5
127.11274	0.4
137.09702	1.4
139.11292	0.4
144.61865	0.4
149.13350	0.7
151.11292	0.6
165.12790	1.0
171.10268	7.7
172.10583	0.5
175.11281	1.0
185.11725	0.7
193.12332	16.1
194.12709	1.2
197.15511	0.9
201.02481	0.5
201.11353	1.0
211.13347	2.8
225.14957	22.8
226.15298	1.4
232.54817	0.3
237.19354	0.4
243.15981	7.3
244.16336	0.9
250.16223	0.4
293.21216	1.8
311.22330	0.4
320.12927	0.4
325.23779	0.4
341.05493	0.4
343.24878	100.0
344.25201	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	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82657	0.7
56.28690	0.9
58.00598	1.5
59.01374	13.0
61.98833	3.0
71.01381	12.0
71.49842	1.0
71.50183	0.9
72.00903	10.1
73.02953	1.6
85.02956	1.8
88.04049	3.3
89.02451	11.5
93.03510	1.9
96.96017	1.7
101.02414	3.8
103.05465	0.8
113.02482	3.1
113.71407	0.8
116.07134	0.9
119.03532	2.4
119.04989	1.1
123.04475	1.1
127.07658	3.9
135.90588	0.8
136.93982	0.7
139.04045	1.1
143.03471	1.2
145.50031	1.0
147.04523	35.1
148.04919	1.3
156.14651	0.7
161.04636	1.1
163.12138	1.0
164.07166	100.0
165.05569	2.3
165.07466	3.8
171.06648	2.9
173.04565	2.7
179.05589	3.0
191.05605	1.7
210.56479	0.8
224.06328	1.0
228.17247	1.5
253.06926	1.3
254.07521	5.4
263.01846	0.8
344.10349	1.1
344.18521	1.7
345.12839	5.4
345.17395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83790	0.3
54.79396	0.3
57.03437	1.5
58.00570	0.9
59.01111	0.4
59.01379	6.1
60.01693	0.6
65.18917	0.3
69.35078	0.6
69.35487	1.9
71.01381	4.3
71.05002	1.2
72.99290	0.3
73.02916	1.3
74.02473	0.7
81.02193	7.4
83.05002	1.3
85.02937	0.8
88.07814	0.3
93.03445	0.6
96.04536	0.5
97.06573	0.4
101.06064	0.6
107.89656	0.3
115.07603	0.3
116.07202	1.6
139.11209	0.4
155.14348	0.4
169.15938	0.5
171.10204	0.6
173.04546	1.5
175.12799	0.3
180.13907	1.1
181.12212	0.4
183.13896	0.6
190.15971	0.4
191.05510	0.5
192.17584	0.5
197.15436	2.2
197.18921	0.4
199.17024	0.9
204.17517	0.3
205.04901	0.3
206.15439	1.3
207.15720	0.3
208.17046	0.7
209.11827	3.0
209.19016	0.5
218.15388	0.7
220.17116	2.5
222.18559	0.7
225.18591	1.0
227.12868	1.7
227.16521	1.5
227.20180	0.8
229.17987	0.7
232.17030	0.5
234.18806	0.3
235.17032	0.6
236.16539	2.8
236.20114	0.6
237.18596	3.2
238.18149	1.9
240.19626	0.6
246.18640	0.8
248.16524	0.7
248.20175	1.2
249.18620	1.6
250.21791	0.5
254.58853	0.4
255.17146	0.6
255.19635	7.4
256.19897	0.5
258.18637	0.6
260.20148	0.9
264.19672	4.4
265.18085	1.0
266.21173	0.7
267.19617	3.5
268.19351	0.9
274.18057	2.0
276.19699	3.8
277.20016	0.4
278.21146	2.6
279.21506	0.5
282.20712	0.9
283.19067	0.7
285.20700	12.3
286.20782	1.4
290.21268	0.9
294.20712	45.2
295.21060	3.8
296.22253	1.0
306.20770	6.7
307.21011	0.7
308.22263	0.6
310.20187	0.7
312.21780	10.2
313.22137	1.3
324.21747	2.9
325.21896	0.4
326.23346	0.5
342.23203	0.4
344.24380	100.0
345.15463	0.4
345.24728	11.9
345.29034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01387	6.8
69.03462	1.8
71.01358	1.0
71.05025	1.0
71.55717	0.8
73.02948	1.3
78.95882	0.8
79.28377	0.5
79.95747	0.9
83.05059	1.5
95.05016	0.7
96.96014	42.6
97.06590	4.5
99.08170	9.6
113.06026	0.5
113.09727	0.7
115.07672	3.8
119.08693	0.6
121.02994	0.7
121.06612	1.5
123.08141	1.7
125.09731	6.2
127.11298	1.2
129.09258	3.9
137.09735	1.6
139.11299	0.8
141.09210	5.2
143.10757	1.2
151.11295	6.2
153.09229	0.7
155.10774	1.4
165.09108	0.7
165.12784	1.0
167.10709	0.6
171.10274	19.5
172.10680	1.4
173.06107	0.6
185.11838	3.1
187.09705	0.7
188.23146	0.7
193.12337	15.1
194.12677	0.7
197.11729	1.2
199.13332	0.7
201.02550	0.7
201.11301	6.7
209.11745	1.7
211.13461	4.5
213.11360	1.3
215.12834	1.1
223.13411	1.5
225.11505	1.0
225.14960	19.8
226.15305	1.2
227.13040	3.1
229.14415	0.8
233.15404	1.6
235.13431	1.0
243.10301	0.8
243.15964	7.5
244.16452	0.6
271.09787	3.3
289.18176	5.2
293.21310	2.6
301.65472	0.7
307.19180	5.8
307.22537	1.0
311.22256	1.0
325.20242	2.8
325.23819	1.0
343.03751	1.0
343.16241	4.1
343.24890	100.0
344.25201	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01381	8.5
61.42793	0.8
61.98824	0.9
69.03475	1.1
70.14055	1.9
70.14434	2.6
71.01334	0.8
79.47173	0.9
83.04977	1.1
90.82149	0.7
97.06561	1.0
99.08163	8.5
121.10210	1.9
125.09756	1.8
127.11280	1.1
137.09746	1.1
137.27759	0.8
165.12794	1.0
171.10284	16.7
172.10634	1.2
193.12325	13.7
200.77391	0.8
201.02530	3.0
211.13483	2.4
225.14960	16.3
226.15273	1.2
243.16069	5.8
244.16493	0.9
289.18011	1.0
292.36240	0.9
293.21240	1.6
307.19330	1.2
307.22864	1.0
311.22458	1.0
343.24881	100.0
344.25266	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
54.29622	0.5
55.01869	0.7
57.03450	3.4
59.01376	3.6
69.03455	1.7
69.37673	3.8
71.01376	1.2
71.05010	3.4
73.02940	0.6
80.02661	0.5
81.03466	1.5
83.05032	4.7
84.02164	3.7
85.02959	3.6
85.06596	1.9
87.04529	2.9
93.03471	1.1
95.05032	6.0
96.95971	0.5
97.06578	2.5
106.04231	1.8
109.06630	1.3
111.04558	2.5
113.02576	0.6
113.06075	1.9
121.02908	0.8
123.08132	1.8
125.09699	2.3
127.11275	2.4
135.08192	2.4
137.09731	0.7
153.09253	1.4
163.11258	0.9
165.12875	0.7
167.14330	1.2
170.53493	0.5
170.89903	0.5
171.10272	42.6
172.10614	2.0
173.10648	0.6
181.12341	0.7
182.04578	3.1
183.13928	2.7
185.11800	1.4
193.12326	0.9
193.15979	0.6
197.11737	0.7
199.13377	0.8
201.11333	2.4
209.11829	4.7
211.13394	13.0
212.13687	0.7
221.11775	0.9
229.14430	14.3
230.14754	1.0
235.13283	0.8
237.14964	10.2
238.15349	0.8
249.14859	1.6
255.16043	1.2
258.44159	0.5
267.15906	1.5
277.68933	0.6
281.17651	0.6
289.18100	1.7
307.19016	1.1
325.20184	7.1
326.20499	0.6
343.21231	100.0
344.21518	11.4
344.25244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01377	36.9
69.45074	3.5
69.45494	3.4
71.01378	1.8
71.05015	1.5
83.05015	2.0
85.02940	1.9
85.06581	6.6
87.04492	1.3
87.07556	0.8
89.02462	1.0
95.05001	1.2
97.06592	4.1
98.19894	1.6
115.07642	10.3
121.02959	1.0
122.22342	0.8
125.09691	1.0
127.11346	1.4
129.09233	2.0
138.03236	4.5
139.11288	3.4
143.10695	0.9
150.47955	0.9
157.12337	2.4
171.10280	5.7
185.11815	2.1
191.18130	1.2
197.11841	1.3
199.13251	1.0
208.07413	1.7
210.12386	1.2
211.13373	1.6
212.92383	0.8
229.14505	1.7
237.14912	3.2
237.18495	2.0
283.19119	21.8
284.19489	1.9
301.20187	100.0
302.20496	7.6
325.20126	2.0
343.09628	1.4
343.14658	4.4
343.21216	51.5
344.21408	5.2
355.87164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.25417	0.7
71.01379	5.2
73.02930	0.7
75.61937	0.6
78.95933	0.7
85.02979	0.8
89.02436	6.1
89.02884	0.6
93.03466	1.6
96.96018	1.2
96.96967	1.4
101.02448	3.3
107.01416	1.3
113.02459	2.6
119.03493	2.1
119.05000	0.8
121.02982	1.3
135.04572	1.9
138.96152	0.8
149.02354	0.9
151.00430	0.8
170.76730	0.7
171.10231	0.8
173.04565	3.0
179.03539	1.7
179.05611	0.8
191.05591	3.7
227.05614	1.0
241.14552	1.4
255.11499	0.9
263.10278	0.9
291.04492	1.2
294.20883	2.0
311.01880	0.9
315.03683	0.8
343.04642	1.6
343.08405	1.2
343.12054	1.0
343.21359	2.5
344.24512	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	343.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39409	10.0
55.07428	7.7
59.01388	47.8
59.38277	8.3
71.03376	11.6
71.03700	12.5
74.51491	8.7
75.44069	8.7
77.80438	9.7
83.05021	10.2
91.77866	8.6
97.28616	10.5
109.06557	11.1
110.54007	9.0
113.66944	9.9
151.67635	7.9
156.56941	8.2
171.10245	9.4
187.09827	9.2
199.09666	15.9
250.43907	9.5
260.44186	8.9
287.16516	14.3
289.18140	17.9
305.17636	23.8
307.19147	100.0
308.19394	14.1
312.65909	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	343.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78159	1.3
53.56635	1.2
57.03441	2.7
59.01377	17.7
67.21156	1.2
69.03457	2.5
71.01382	13.5
71.05009	2.3
73.02937	3.5
79.97704	1.3
80.02680	1.9
81.03461	2.3
83.05024	6.8
85.02971	3.0
85.06578	1.3
91.42298	1.3
95.05022	8.5
97.02947	1.8
97.06596	3.9
99.04514	2.3
101.13685	1.3
109.06602	3.1
110.03738	3.0
111.04553	3.7
111.08153	2.4
113.02463	1.5
123.08128	2.1
125.09734	2.8
127.11277	2.4
129.09233	2.2
135.08189	1.4
137.09712	1.5
141.09294	1.6
149.09682	1.8
151.94308	1.3
153.09204	3.0
155.10747	2.8
165.12830	3.1
167.14424	3.2
171.10262	25.2
175.11313	2.8
177.12877	9.2
183.13858	2.5
185.11871	2.4
193.12303	2.9
195.13864	5.9
201.11328	13.3
203.10788	5.1
209.11810	3.1
211.13295	7.7
213.11346	2.5
215.12894	11.2
216.13191	1.7
221.11810	37.9
222.12172	3.6
227.12994	1.3
229.04015	1.4
229.14436	2.9
237.14861	2.1
239.12881	100.0
240.13206	6.0
249.14868	1.3
255.16055	2.9
271.15451	9.0
283.19266	1.4
284.03314	1.6
289.18021	3.4
293.14026	1.9
301.20215	8.3
307.19095	6.6
311.14789	1.7
325.20160	10.1
328.60101	1.5
343.17517	36.8
343.21259	52.2
344.17889	2.9
344.21600	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35023	0.3
57.03452	0.5
59.01377	1.8
69.03451	2.4
69.68514	0.7
69.68922	1.2
71.01370	0.6
71.60166	0.3
80.89388	0.3
81.03453	0.6
83.05035	1.6
84.02181	1.4
85.02987	0.5
87.38786	0.3
95.05031	0.5
97.02982	0.7
97.06595	12.6
98.06915	0.5
98.19921	0.3
99.04515	0.7
111.08196	0.4
113.02473	0.3
121.10249	0.7
121.78710	0.3
123.08091	0.3
125.09737	2.1
127.11288	0.3
130.23924	0.3
137.09721	1.3
142.35892	0.3
149.13362	0.7
151.11243	0.5
163.11275	0.5
165.12836	1.0
167.14371	0.4
171.10260	7.1
172.10582	0.6
175.11298	1.0
177.12878	0.7
185.11804	0.6
193.12337	16.7
194.12646	1.1
197.15422	0.8
203.10675	0.3
211.13383	3.5
221.11879	0.9
225.14963	24.7
226.15295	1.3
243.15981	9.2
244.16391	0.7
253.14455	1.1
291.19647	1.4
297.35858	0.3
305.21350	0.5
323.22330	0.6
341.23318	100.0
342.23685	12.3
348.85382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	86.3
60.01719	0.7
71.53549	0.3
98.91054	0.3
113.04555	0.3
134.96080	0.3
141.18126	0.2
142.42570	0.2
157.03563	7.4
158.03738	0.3
159.01489	2.9
178.95053	1.8
178.97795	0.7
201.02545	100.0
202.02711	9.7
255.53970	0.3
260.95218	0.7
279.01785	0.2
343.03757	3.1
344.03839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01376	13.5
69.66649	1.9
69.67070	1.1
71.01367	0.7
81.03448	0.6
88.04044	1.2
93.03461	1.5
95.05008	0.8
106.87719	0.5
107.05022	0.9
109.02960	5.8
109.06602	3.6
111.62428	0.5
119.05019	3.6
121.02947	7.0
122.03717	1.2
135.04543	6.0
137.06085	30.6
138.06438	1.4
173.04520	2.4
179.03488	0.6
181.05064	100.0
182.05376	5.5
191.05618	1.0
194.99167	0.5
216.99585	0.5
220.18071	0.5
235.06136	0.9
253.08621	0.8
257.05722	1.3
271.51178	0.5
282.29980	0.5
300.15680	1.4
307.13843	0.8
343.10303	14.6
343.19894	0.7
344.10706	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34533	1.3
55.01865	3.3
57.03432	2.9
58.00595	1.3
59.01377	19.5
63.99119	1.2
68.32231	1.1
69.03444	2.0
71.01369	14.7
71.05013	16.4
80.43027	1.0
81.03452	38.8
81.03933	2.1
83.01357	1.8
83.05020	27.4
83.57095	1.2
84.02145	0.9
85.02937	4.0
86.75523	1.2
87.00916	1.3
89.02441	16.6
93.03455	22.7
95.01395	2.0
95.05003	4.2
96.02165	1.3
96.95981	2.2
97.02959	5.0
97.06573	1.7
99.04533	1.5
101.02428	6.7
102.35068	1.2
105.07101	1.5
107.04985	2.8
108.02174	1.5
109.02948	2.2
109.06571	6.4
110.03763	1.7
111.04514	87.3
112.04831	3.1
113.02447	5.1
119.03473	5.7
119.05029	1.5
121.06538	1.2
122.03708	4.4
123.04527	12.1
123.08150	4.0
125.09713	5.1
127.07622	3.2
127.11276	3.3
127.95019	1.1
133.06577	1.9
135.04526	1.4
136.05246	2.2
138.48843	1.4
139.07664	7.5
141.09181	1.5
143.03485	2.3
145.54008	1.0
151.07643	52.4
151.11150	2.0
151.38959	1.1
152.07916	3.6
153.09203	1.3
161.04539	1.2
167.07039	0.9
169.08685	40.3
170.09026	2.6
171.10255	100.0
172.10608	5.5
179.05612	7.2
195.10207	1.4
201.11314	17.2
202.11626	1.1
209.11830	1.9
213.11327	11.8
213.39629	1.1
251.12852	4.8
281.07080	2.6
283.09702	1.0
287.16434	4.1
299.18204	1.1
305.17538	5.0
311.09125	1.5
323.18570	6.0
341.10687	8.9
341.15286	1.5
341.19629	17.1
342.16568	1.7
342.23248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.1
59.01376	10.4
69.03457	4.6
70.56424	4.6
71.01356	2.7
71.05019	30.6
80.02674	2.0
81.03457	26.4
83.05027	18.5
84.02184	2.3
85.02950	3.6
87.04527	1.9
89.02431	2.9
93.03465	2.0
95.05019	11.3
95.44683	1.3
97.02950	6.2
97.06582	5.3
98.03706	1.6
99.04519	33.8
101.06082	1.8
102.05573	2.3
106.01487	1.5
109.02967	3.0
109.06614	7.5
110.03747	3.3
111.04551	8.1
121.06609	3.3
123.08179	5.8
125.09736	2.7
127.11306	2.0
133.06645	2.1
136.05347	1.5
136.14595	1.3
138.76799	1.2
151.07631	13.3
152.98578	1.6
153.09206	2.7
155.10846	2.3
163.11299	1.7
165.09190	2.8
169.08640	1.3
171.10271	38.4
179.05649	2.5
185.11873	2.4
189.12849	4.3
191.14485	7.1
192.43826	1.6
193.12326	18.1
199.13443	3.8
201.11363	2.7
207.13829	2.2
209.11823	2.8
211.13373	4.0
223.13438	2.2
225.11252	1.8
233.11900	3.2
235.13390	37.9
236.13768	2.1
243.17555	4.7
249.14975	3.3
253.14438	100.0
254.14764	7.3
287.16544	25.1
288.16907	3.5
305.17535	20.4
306.17868	3.7
323.18661	9.6
341.10760	3.0
341.19653	18.3
342.19513	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.2
58.00584	2.0
59.01374	3.5
63.78819	0.9
64.98351	0.9
69.03439	2.9
69.42391	4.5
69.42829	3.7
71.01400	2.7
71.05025	6.2
73.02962	1.9
80.02664	1.6
81.03452	6.3
83.05036	5.1
85.02943	1.2
85.06576	1.2
87.04498	1.6
89.86796	1.0
95.05011	6.2
97.06581	4.1
98.03722	6.2
101.10460	1.0
108.02158	1.2
109.06593	33.8
110.03674	1.4
113.06070	3.0
121.06599	1.5
123.04522	1.5
123.07286	1.2
123.08158	8.1
125.06099	2.5
125.09722	23.8
127.07654	15.9
127.11295	13.3
134.92065	1.1
135.08098	1.9
137.09714	2.7
139.11278	1.8
141.09190	3.7
149.09686	1.2
151.07635	4.2
151.11255	2.9
153.09222	1.6
155.10753	4.2
163.11243	1.0
165.09193	3.9
167.10782	1.1
169.08665	1.6
171.10265	12.6
177.09174	1.0
183.10141	1.9
185.11803	4.3
189.12866	1.2
195.10214	3.9
197.11827	3.2
199.09731	7.7
199.13350	3.0
201.11311	100.0
202.11568	5.0
204.12585	1.0
209.11823	18.2
210.12114	1.8
211.13235	1.3
213.11313	64.7
214.11618	3.9
227.12874	3.6
233.11777	2.7
235.13240	1.5
249.14987	1.7
251.12852	28.0
252.13161	2.6
265.14542	2.4
287.16492	20.9
288.16724	1.8
305.17560	22.3
306.17838	2.5
323.18591	32.1
324.18832	3.8
336.23682	1.1
341.19635	71.0
342.20020	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74738	4.8
59.01378	42.9
59.37572	5.5
68.82654	4.6
70.86885	6.6
70.87235	6.5
71.01384	86.1
73.02943	6.5
81.03448	12.8
83.05007	8.2
85.02927	5.6
86.17085	4.6
89.02454	17.6
91.84103	5.0
97.02953	18.4
97.06580	20.6
101.02489	9.0
107.05019	6.7
109.06589	81.1
113.02476	8.3
121.06609	7.7
125.06118	5.2
126.78081	5.4
135.08217	9.8
137.09625	4.7
163.11279	36.4
164.86786	5.3
171.10309	9.5
179.05649	8.0
181.12367	17.6
199.09737	13.8
207.10248	100.0
208.10672	6.6
225.11346	19.6
246.69727	5.6
323.76794	4.8
341.10812	8.6
344.38297	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	341.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.8
59.01374	27.7
59.35071	2.7
62.25224	2.9
69.03457	3.4
71.01366	20.7
71.56062	4.6
72.99303	6.5
75.00870	7.5
80.02686	3.3
83.05013	7.3
85.02938	6.8
87.00874	4.4
89.02446	19.9
93.03445	3.9
93.85253	2.7
95.01366	3.6
95.05035	3.1
97.06609	3.5
97.61892	2.9
109.06597	8.4
111.00889	12.6
113.02484	6.7
117.01915	2.8
117.03430	3.6
119.03488	3.6
125.06100	3.9
129.01939	12.4
131.03505	3.1
135.04532	3.9
135.08130	4.0
136.05292	12.3
138.98526	2.9
161.02422	3.0
165.12830	4.9
179.05629	6.3
183.13824	3.1
189.12857	6.5
191.14420	3.0
197.42433	3.8
201.12869	3.7
203.14359	3.2
205.12346	5.8
207.13837	4.7
209.11913	4.1
211.13391	38.8
217.12277	3.9
221.15541	4.9
223.13338	13.1
225.15015	4.0
233.11855	5.4
235.13307	10.3
236.13652	3.0
245.11781	13.3
247.13387	18.2
248.13829	4.1
249.14740	7.6
251.12845	100.0
251.16705	4.3
252.13173	10.0
253.14377	9.0
259.13452	17.7
261.14896	4.8
263.12823	29.5
265.14508	17.2
275.12997	3.4
277.14359	13.2
281.13898	13.5
283.05942	5.4
287.12881	4.5
293.13831	13.2
295.15353	2.9
305.13895	32.5
306.14206	3.6
323.05563	6.9
323.15033	22.5
341.06570	31.6
341.10873	9.5
341.16037	12.1
342.07040	4.8
342.16040	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	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
58.00592	2.4
58.92598	0.8
59.01378	59.9
60.01697	0.8
61.79508	0.7
61.98838	1.1
71.01381	34.5
71.55630	0.9
72.99318	1.9
73.02946	10.6
83.01385	4.0
83.07875	0.8
85.02946	6.0
87.00882	2.5
89.02443	29.4
93.03478	2.7
95.01376	2.1
99.00899	1.0
101.02438	19.7
105.52977	0.7
107.05064	1.2
113.02457	15.0
113.03242	0.9
119.03519	9.2
119.05017	13.8
120.05389	0.9
131.03474	1.7
134.03731	3.7
135.04521	99.1
136.04834	4.3
137.06071	1.5
143.03503	2.4
149.04567	1.1
161.04547	3.5
175.05020	1.4
176.05376	0.9
177.05453	1.0
179.03493	100.0
179.05562	9.8
180.03822	5.1
249.49966	0.6
266.02231	0.8
274.87067	0.9
276.00156	0.6
281.10208	5.0
282.10651	1.0
299.11398	2.7
310.56305	0.8
341.08578	10.2
341.11087	7.6
342.09128	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	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03323	0.7
55.01883	0.9
57.03441	1.1
58.00590	1.8
59.01381	100.0
60.01716	1.0
69.03458	1.6
70.89819	0.7
71.01382	54.5
71.55406	1.3
72.01723	0.8
72.99316	3.4
73.02948	53.4
74.03291	1.4
75.00891	1.2
81.02213	1.2
81.03442	1.2
83.01392	16.3
85.02956	6.0
87.00878	2.3
89.02445	31.9
95.01396	1.5
96.96028	1.0
97.02970	1.2
98.02496	0.9
99.00915	1.1
101.02447	52.7
102.02818	1.7
102.05667	0.8
107.05067	1.6
113.02457	20.7
114.05630	2.3
115.07668	0.9
118.98072	1.7
119.03533	11.8
119.05016	15.5
119.05820	1.2
125.02512	1.4
130.08759	1.7
131.03488	4.0
137.02446	5.4
137.06131	2.7
143.03502	4.2
149.04579	2.7
151.12700	0.9
155.03552	2.1
161.04552	9.5
179.05591	11.3
186.40817	0.8
193.05040	1.4
195.06735	1.1
209.11797	10.2
227.12901	4.5
261.67410	0.8
292.19260	1.8
299.11343	1.3
341.10828	14.7
341.20593	1.1
342.11835	1.1
342.22888	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03437	1.5
58.00587	3.0
59.01380	100.0
60.01713	1.8
70.94558	1.8
70.94936	0.8
71.01382	62.7
72.01706	1.0
72.99295	3.1
73.02950	2.6
83.01366	2.0
85.02953	8.9
87.00878	4.9
89.02446	78.9
90.02747	1.3
95.01395	2.8
101.02441	30.3
101.03106	1.7
102.02741	1.1
109.68800	0.8
113.02448	24.2
117.95770	0.8
119.03500	28.1
131.03455	4.3
143.03522	9.8
148.99345	0.7
149.04559	3.7
155.68126	0.8
161.04556	10.8
179.05618	36.2
180.05922	1.9
184.12875	0.8
191.05577	1.8
243.37738	0.9
341.10880	51.3
342.11166	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03442	1.7
57.52307	0.8
58.00584	3.5
59.01377	100.0
60.01711	1.2
70.60954	1.1
70.61288	1.5
71.01379	73.4
72.01723	1.3
72.99298	2.7
73.02944	2.6
83.01392	2.9
85.02950	11.2
85.60316	0.9
87.00870	4.5
89.02441	87.4
89.53814	0.8
90.02763	1.0
93.43755	0.9
95.01383	3.6
101.02439	35.0
113.02446	28.5
114.02762	1.1
116.16068	0.9
119.03497	30.1
125.02431	1.4
131.03494	5.7
135.04517	3.0
143.03491	8.3
149.04521	3.4
161.04532	11.6
173.04623	0.9
179.03828	1.3
179.05602	43.6
180.05992	1.5
306.89429	1.0
318.80817	1.0
341.10876	52.3
342.11139	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	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
59.01111	1.0
59.01433	13.1
60.01730	0.4
69.72641	1.3
69.73067	1.1
71.01379	8.1
73.03001	0.7
79.55340	0.4
83.01398	0.4
85.03009	1.1
87.00941	0.6
89.02438	10.3
91.05551	0.4
93.03520	0.8
95.01428	0.5
101.02441	3.7
107.05056	0.9
113.02447	3.4
119.03486	3.9
119.05006	0.9
121.12454	0.4
131.03514	0.6
134.03720	2.3
135.04521	90.2
136.04863	4.6
137.02461	0.8
143.03503	0.9
149.10252	0.4
161.04587	1.0
173.04593	0.4
175.04944	0.5
178.02568	0.7
179.03488	100.0
179.05403	3.1
179.05800	2.9
180.03825	5.3
187.94913	0.4
211.64728	0.4
341.08307	14.4
342.08768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Sucrose
Peak:m/z	Relative Intensity
52.11805	0.6
55.01881	1.4
56.40966	0.5
57.03444	2.1
57.14762	0.5
58.00593	3.3
59.01378	100.0
60.01738	0.8
61.56391	0.6
69.28081	2.4
69.28497	2.7
71.01380	63.5
72.01735	1.2
72.99306	2.7
73.02954	1.5
75.16420	0.6
83.01393	2.4
85.02948	9.3
87.00867	3.8
89.02443	81.8
90.02775	1.2
95.01385	3.6
101.02439	31.7
108.14371	0.6
113.02449	24.1
119.03500	28.0
120.03896	0.6
125.02487	0.7
131.03503	4.6
143.03505	7.4
149.04494	3.2
161.04561	9.6
179.05605	34.6
206.86490	0.6
341.10855	49.7
342.11279	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03425	1.1
57.21352	0.7
58.00596	3.2
59.01378	100.0
61.04782	0.7
71.01379	66.6
71.16518	1.5
72.01723	1.1
72.99313	2.8
73.02960	2.1
83.01397	3.0
85.02945	8.1
87.00874	4.4
89.02443	83.5
90.02780	1.0
95.01398	4.0
101.02441	30.0
113.02450	27.2
114.02782	0.9
116.92100	0.7
119.03492	28.5
125.02470	1.0
131.03511	4.9
143.03482	7.5
149.04568	2.8
161.04556	8.7
179.05603	36.7
180.05980	1.2
232.31288	0.7
301.73401	0.8
341.10852	51.8
342.11148	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03445	0.7
58.00598	0.4
59.01379	11.0
60.49152	0.3
61.98841	0.9
69.57299	1.8
71.01382	7.5
72.99297	0.4
73.02948	0.5
83.01391	0.4
85.02954	0.9
87.00887	0.5
89.02444	8.0
92.27606	0.3
93.03455	0.4
93.69366	0.3
98.20623	0.5
101.02435	3.0
107.05035	1.2
108.05396	0.2
113.02454	2.9
119.03510	3.4
119.04952	0.3
121.02910	0.3
127.12789	0.3
131.03474	0.4
133.02971	0.7
134.03766	3.0
135.04526	100.0
136.04849	4.8
143.03490	0.9
147.84215	0.3
149.01163	0.3
149.04564	0.3
161.04567	0.8
172.32967	0.3
179.03496	67.7
179.05496	2.7
179.07014	1.6
180.03833	3.5
197.95700	0.3
297.09692	0.6
341.08582	3.1
341.11075	3.0
342.08777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.6
59.01379	23.6
61.98826	4.6
63.95132	2.3
71.01379	29.8
71.05023	7.8
71.55784	4.1
72.02185	12.9
73.02946	3.5
84.02191	4.3
85.02951	10.5
95.05040	5.3
97.06593	12.1
98.03739	3.4
98.19934	2.3
99.08161	15.0
99.65121	2.3
108.61414	2.2
109.06615	9.9
111.04507	3.3
111.08157	20.2
123.08154	5.6
124.05305	2.8
125.06118	5.1
125.09721	100.0
126.10108	2.9
127.07648	79.8
136.37779	2.4
139.07651	76.7
151.79689	2.6
153.09227	8.8
154.25409	2.5
155.10780	10.3
163.02303	3.2
165.09236	7.1
167.10773	10.8
171.10155	3.0
177.12863	6.1
183.01221	15.4
183.10352	15.4
195.10300	7.9
195.13918	5.9
199.13353	13.2
218.52066	2.6
221.76271	2.9
227.12888	6.0
239.12943	4.7
251.85188	2.4
252.13644	47.8
253.13997	4.0
268.13110	17.8
269.13763	4.9
289.18170	10.3
307.01663	2.6
307.19260	5.0
321.20798	18.8
322.21078	3.1
339.12695	4.2
339.16455	23.8
339.21869	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	339.2174
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03435	4.2
58.09047	1.7
59.01360	7.5
69.18225	17.5
76.91405	1.6
78.95902	3.5
80.02664	1.7
81.03447	3.7
95.05009	2.2
97.02952	4.1
97.06569	2.5
121.06568	3.2
123.04528	7.2
123.08160	15.2
125.09743	3.1
137.09680	2.2
139.11270	9.1
142.02734	4.7
149.09634	2.3
151.11287	6.6
152.08434	7.3
152.99611	4.2
153.09213	2.5
167.10774	4.9
171.10266	23.9
177.12794	2.9
183.10242	3.7
191.14343	3.4
192.73595	1.6
199.13382	26.9
200.13808	2.0
213.11208	1.6
221.11824	3.8
245.19038	16.4
271.16754	2.1
289.18076	100.0
290.18503	15.4
307.19131	55.3
307.22540	3.5
308.19461	6.8
321.20691	15.1
324.19415	11.9
339.17526	3.4
339.21759	71.3
340.22113	7.7
344.27277	1.8
348.10815	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.92239	0.4
71.00488	0.9
76.54150	0.5
96.95834	0.4
163.11285	69.4
164.11609	3.9
192.74846	0.4
226.03253	0.4
330.06161	0.4
339.23273	100.0
340.23615	14.8
350.60318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.9
59.01374	8.3
68.70543	0.5
69.03444	0.9
69.28158	0.6
69.28447	5.5
70.98903	0.5
71.01370	5.3
71.05009	1.3
72.99301	0.6
73.02930	0.7
81.02179	2.4
81.03418	1.0
82.02976	6.5
83.05010	2.5
84.02182	0.9
84.04533	2.3
85.02938	1.9
89.02436	3.9
93.03448	0.9
94.02973	3.9
95.05010	2.7
96.00913	0.8
96.04549	11.6
97.06580	1.3
101.02426	1.7
102.05598	4.0
107.03779	1.6
108.04526	1.8
109.06598	5.5
110.02457	1.9
111.04542	0.7
113.02451	1.9
113.06064	1.7
119.03489	1.5
121.06606	1.0
122.06091	0.9
123.08152	4.3
124.04041	0.8
125.06069	1.9
125.09725	3.9
127.07629	1.0
127.11189	0.7
134.06120	1.1
135.08173	0.9
137.06082	1.0
150.05579	4.5
151.07643	0.8
151.11243	0.8
153.09245	0.7
161.04623	1.2
161.09686	1.4
163.06415	0.8
163.11246	1.3
165.04295	0.9
165.09250	0.8
166.81854	0.6
168.06685	1.7
171.10233	4.1
173.04507	0.8
176.10779	1.0
178.12350	10.4
179.05592	1.4
179.10831	1.4
179.12646	0.9
180.06680	3.6
185.11781	3.3
186.09267	2.2
193.36609	0.6
195.10345	1.0
197.11815	3.5
199.09749	2.5
201.11308	5.9
202.11653	1.1
204.10283	10.7
205.10593	0.8
206.11772	1.7
209.11827	14.2
213.11334	4.5
215.12831	1.7
222.11333	22.6
223.09683	1.3
223.11708	1.8
224.12959	2.4
225.11301	0.8
227.12825	3.3
238.10350	1.1
239.12814	0.9
246.14983	3.4
247.13326	0.7
248.16508	1.6
251.12814	1.4
254.13983	1.2
264.15982	2.9
265.14328	0.9
266.14099	0.7
272.12778	0.8
278.17914	0.7
287.16507	4.8
290.13962	4.2
292.15506	3.8
299.18661	2.3
304.16422	1.4
305.17490	4.6
308.14978	8.7
309.15689	1.8
310.16507	5.2
322.16626	11.8
323.18674	12.5
340.17615	100.0
341.10968	3.8
341.18481	8.0
357.72083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11089	5.8
57.03437	15.0
59.01370	46.2
61.22491	7.2
69.58768	18.7
69.59187	21.2
71.01376	18.3
71.04974	8.2
75.28864	5.5
78.88300	6.3
97.06567	16.6
111.08121	9.9
111.30605	6.5
123.08164	8.0
125.09676	8.4
127.07653	55.8
139.07669	9.3
151.11232	21.6
152.04773	6.5
153.09181	10.1
157.06853	7.9
160.81941	6.1
163.11255	10.4
165.12796	24.7
171.06612	8.0
179.10757	15.4
181.12274	29.2
183.01109	19.6
191.10774	15.8
209.11815	100.0
212.73804	6.6
233.94000	8.0
245.18968	22.6
253.14311	8.6
279.19583	10.0
289.18063	20.7
294.41339	7.7
307.19150	27.7
316.44244	7.9
339.16226	36.5
339.20187	22.0
340.16470	8.2
357.86209	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	339.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32555	4.8
57.03437	16.2
59.01366	34.1
64.14097	4.9
69.03453	8.2
71.01378	16.1
77.80780	5.1
80.02708	5.4
83.04991	5.9
87.91538	5.4
95.05033	8.0
97.06606	25.7
98.20627	14.4
111.08160	26.1
123.08158	8.6
125.09724	27.7
133.10266	5.3
135.04501	11.7
139.06596	5.5
151.11269	20.0
153.09230	15.2
155.10751	21.1
163.11293	8.8
165.09212	9.2
165.12833	31.3
167.10689	5.4
171.10123	6.1
177.12767	6.0
179.10747	14.1
181.12309	37.6
183.01207	7.2
183.10283	8.5
191.10736	19.2
195.10222	12.5
209.11803	100.0
210.12206	6.1
211.13445	16.0
227.12784	16.3
241.14594	8.6
245.19043	24.8
263.20187	5.8
279.19714	9.8
289.18082	26.4
307.19147	37.6
321.20520	17.2
339.16153	17.0
339.21405	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	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52211	1.4
57.03453	1.6
59.01379	13.4
68.82762	1.3
71.56265	2.1
72.99301	3.5
73.02943	1.6
77.05959	1.4
79.50580	1.4
85.58533	1.4
97.06569	6.2
118.87017	1.3
125.06085	18.0
125.09679	3.4
137.47910	1.5
143.07135	69.0
144.07466	2.4
151.11275	14.8
153.09123	2.3
167.10753	4.3
169.12335	100.0
170.12656	5.8
171.10205	6.4
172.47902	1.7
183.01167	3.9
195.10243	1.8
209.11833	1.9
213.11305	94.4
214.11659	4.3
217.10809	1.7
225.75798	1.6
245.19064	6.4
271.17032	2.1
289.17941	5.6
307.19183	3.2
321.20724	3.6
339.17886	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	339.1993
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
60.83152	0.3
62.85278	0.3
65.81504	0.3
71.56097	0.5
79.95761	1.0
94.97293	0.3
119.05038	1.2
131.47087	0.3
134.72008	0.3
149.09695	0.9
163.11263	3.1
167.80821	0.3
170.00386	2.0
174.30653	0.3
177.12770	0.4
183.01193	51.2
184.01564	2.9
197.02745	2.3
225.05948	0.9
230.02510	0.5
239.07516	1.1
253.08913	0.3
274.31253	0.3
275.24048	0.3
292.79340	0.3
339.19943	100.0
340.20264	13.2
357.62439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
60.43559	0.3
69.57002	0.7
69.57413	1.6
79.95345	0.3
79.95765	1.0
98.19876	0.4
99.98698	0.4
101.38728	0.3
114.44276	0.3
119.04979	1.5
124.45197	0.3
155.40532	0.3
163.11302	15.7
164.11629	0.9
170.00505	1.5
183.01213	55.5
184.01674	3.4
197.02751	1.1
198.03259	0.3
211.04376	0.3
216.01028	0.6
225.05881	1.1
239.07478	1.2
279.23306	0.5
289.86798	0.3
339.19952	100.0
339.23257	6.6
340.20267	10.9
340.23724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	Betaenone E
Peak:m/z	Relative Intensity
50.61484	0.8
58.11262	0.7
59.01378	100.0
64.79485	0.8
70.88914	2.0
73.61550	0.8
82.15729	0.8
91.51599	0.9
93.03435	1.0
115.07690	1.1
119.05013	2.3
145.61928	0.8
161.93311	0.7
163.03979	3.3
173.04500	1.1
191.05597	1.1
197.11853	1.7
209.15546	1.2
221.15425	0.8
239.16573	1.2
275.23950	1.2
277.21674	7.0
278.21817	0.9
295.22781	36.9
296.23105	3.2
319.22665	13.4
320.23032	1.9
337.23816	45.6
338.24200	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	338.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97878	0.8
59.01375	2.3
60.09621	0.9
60.74802	0.8
69.76349	4.5
73.02933	0.9
85.02942	4.0
85.68181	1.1
86.03335	1.1
87.00872	1.3
88.97307	0.9
89.03931	1.4
93.03455	5.3
94.03788	2.1
98.19933	1.8
104.68093	0.9
105.03439	2.0
111.04502	2.3
111.16013	0.9
112.04864	2.0
119.05019	56.5
120.05357	45.4
121.05573	1.5
133.02956	7.6
146.04272	0.9
155.03442	3.1
156.03818	1.6
163.04001	89.8
164.04338	100.0
165.04533	6.0
173.04533	4.8
174.04875	5.8
177.01918	78.8
191.05614	24.2
191.07352	1.1
192.05940	18.0
193.06058	1.8
338.09586	11.2
339.07068	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	339.0721
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01379	1.5
65.00324	1.1
65.03963	1.4
67.01893	0.6
68.99847	0.4
70.04180	0.3
70.04489	1.6
91.01897	47.8
92.02245	1.7
93.09803	0.3
103.26063	0.4
107.07731	0.3
108.02183	1.3
109.02953	13.2
110.03224	0.4
114.05166	0.3
121.02959	1.1
123.04542	0.6
133.02969	1.0
135.00888	100.0
136.01132	2.8
137.02452	3.5
149.02464	1.5
153.01941	62.9
154.02289	2.8
161.02414	1.9
177.01993	1.0
189.01920	1.4
224.89813	0.4
279.05121	1.9
297.06143	1.3
314.44894	0.4
339.07190	31.7
340.07523	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44499	4.3
57.03441	7.5
59.01378	40.0
61.98832	5.2
62.54433	3.8
67.01894	5.0
67.93716	3.9
69.03449	12.9
71.01360	5.8
71.05019	16.2
73.02954	8.1
81.03455	51.7
83.01379	5.8
83.05034	39.9
85.02957	16.0
88.98821	4.0
93.03435	8.0
95.01357	7.7
95.05029	14.7
97.02956	17.8
97.06583	11.6
99.04522	88.3
100.04871	5.2
107.05045	11.4
108.02207	20.3
109.02946	14.9
109.06577	11.2
111.04504	12.7
121.02992	25.9
121.06621	10.1
122.03747	27.0
123.04539	11.9
123.08186	14.4
125.06085	6.4
125.09711	22.3
127.04032	8.2
131.05104	5.4
133.06592	4.8
135.04532	9.3
137.06070	16.9
137.09862	4.3
139.11275	6.3
149.06052	32.3
149.09930	4.1
151.07594	6.5
151.11246	5.6
153.09219	7.1
163.04010	7.4
167.07140	15.7
167.10751	29.1
171.10278	92.1
172.10507	4.7
175.11232	4.5
177.12874	8.7
178.06352	22.3
185.11888	8.3
191.14360	11.2
193.12331	22.5
199.09775	6.5
199.13330	12.2
201.11263	7.7
203.10782	4.7
205.12369	5.5
209.11734	5.3
213.11261	8.2
215.12981	4.4
216.69058	4.3
225.11234	5.2
235.13397	53.4
247.13486	6.0
249.11241	19.5
250.12012	11.7
253.11960	8.2
253.14442	100.0
254.14827	9.5
265.14474	8.9
271.36804	4.1
277.18225	6.1
285.14908	16.1
303.15970	38.7
304.16129	4.8
321.17023	68.7
322.17349	7.1
339.18182	16.2
346.03137	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	337.2383
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
56.42235	1.4
59.01382	16.7
62.25930	1.4
69.19102	6.9
69.19527	7.6
88.42941	1.3
96.96018	3.5
109.06620	1.8
111.08157	34.9
112.64994	1.3
163.04013	4.9
173.04503	1.8
180.72951	1.3
190.12335	5.2
191.05569	2.5
197.15434	5.3
207.13875	2.9
209.15485	1.7
225.14967	100.0
226.15334	7.0
227.16585	3.6
239.16530	15.1
255.16107	2.3
291.23187	6.6
293.21246	4.1
319.19238	2.5
319.22720	17.9
320.23126	1.8
337.23813	48.2
338.24173	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	337.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	45.2
60.52280	23.8
71.31881	56.3
83.85007	23.8
93.03479	45.3
96.96011	58.8
119.05021	84.1
124.40484	24.7
133.67400	28.3
163.03995	100.0
173.04591	26.5
191.05652	56.4
224.70171	22.1
229.45189	25.3
253.71268	30.7
265.95871	26.8
277.21625	69.0
291.69931	27.6
337.17725	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17194	7.1
59.01374	100.0
64.14236	6.5
68.32005	7.6
69.20223	64.3
75.08488	6.6
76.39922	6.7
82.57185	6.1
96.96024	8.9
115.55389	6.8
119.05044	11.2
146.70039	8.1
163.04018	16.0
185.03986	6.0
249.08516	6.8
255.23300	13.7
277.13052	7.5
277.21756	26.4
282.41693	7.4
295.22894	16.0
314.42230	6.9
337.23831	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	337.2379
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
57.03449	1.6
58.40530	1.4
59.01375	12.4
70.21429	1.2
96.96001	2.6
109.06595	2.3
111.08154	35.0
119.05012	4.3
127.07607	2.3
154.54936	1.3
163.03979	4.4
173.04561	2.2
190.12300	3.3
197.15425	5.0
207.13936	3.5
211.17014	2.2
225.14948	100.0
226.15309	8.4
227.16542	2.9
233.18967	3.0
239.16475	10.4
291.20099	1.7
291.22925	7.3
293.21222	1.6
301.21848	1.6
319.19318	3.0
319.22733	24.9
320.23090	3.4
337.20392	2.4
337.23804	45.2
338.24030	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01418	2.0
62.57162	0.4
69.50828	3.8
79.95781	1.4
85.02946	0.5
93.03431	1.3
96.96005	100.0
99.00874	1.1
110.75913	0.5
119.05006	2.6
127.07566	0.9
145.02846	1.0
161.02313	0.6
162.03067	1.1
163.03998	6.0
173.04297	2.9
177.05315	2.1
191.05298	1.8
195.07825	1.3
207.05113	0.5
207.07777	2.2
208.05107	0.6
222.06361	0.8
223.07167	1.7
233.05623	0.6
234.06299	1.8
235.03539	1.2
235.07085	5.4
236.07600	0.6
237.05112	1.1
250.05753	2.0
251.06502	5.2
257.16946	2.4
262.05798	1.0
263.06421	2.4
264.07312	0.8
266.08786	2.2
274.25894	0.6
278.05219	1.3
278.07950	0.7
278.13248	1.3
278.15982	0.6
279.05844	36.2
279.09210	4.3
279.11020	1.4
280.06158	3.1
290.05182	1.1
291.05789	16.4
291.09378	2.1
292.06351	5.0
293.07263	1.8
294.08041	3.8
305.07272	2.1
306.08029	12.5
306.11972	1.7
307.01221	1.4
307.05173	45.2
307.09009	8.9
307.10709	2.7
308.05515	4.2
321.06604	6.0
322.07379	22.5
322.11597	3.1
323.07791	2.3
330.50302	0.5
337.09659	31.0
337.12448	10.0
337.16672	5.1
337.18903	1.9
338.10059	2.5
338.19003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2022
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
50.86052	2.1
57.03460	2.2
59.01382	23.3
71.55817	3.1
78.95895	6.2
81.03448	3.2
83.05021	3.8
85.02950	2.3
92.83308	2.2
93.03420	4.1
95.01395	18.7
96.02184	8.8
97.06582	6.9
106.04245	13.8
107.05059	15.2
108.02164	6.7
109.02937	7.8
109.06588	5.4
119.05034	10.3
122.03741	5.8
123.04530	2.9
123.08171	2.5
125.06094	79.3
125.09730	33.3
126.06386	3.6
134.03661	2.8
135.04474	4.8
135.08174	53.2
136.08455	2.8
137.05121	3.6
137.06096	51.6
139.11269	6.3
151.07671	3.9
152.99585	10.3
161.06100	12.4
163.04030	13.6
173.04564	5.8
191.05516	3.8
193.40022	2.3
197.11855	2.7
201.11243	4.6
251.12921	4.1
254.85722	3.2
256.06000	2.4
283.92419	2.5
287.16498	8.3
290.15250	18.6
291.15759	4.2
301.14401	5.2
305.17657	7.2
306.17599	2.3
319.15448	23.2
319.19037	100.0
320.19443	12.6
337.16644	4.0
337.20193	66.1
338.20480	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.97615	0.2
59.01375	1.0
64.59594	0.3
67.01902	0.3
70.89938	0.2
71.00436	0.7
71.01371	0.5
71.83931	0.3
85.02950	5.4
86.90273	0.3
87.00878	2.2
93.03459	4.1
109.02975	0.5
111.04535	0.7
119.05018	1.7
126.72664	0.3
127.04025	1.2
145.02995	0.7
155.03468	0.3
163.03979	2.3
171.11803	0.3
171.17928	0.3
173.04579	2.3
186.84328	0.3
191.05611	100.0
192.05965	4.2
206.19511	0.3
337.09210	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0926
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
56.73557	0.5
69.47988	0.4
81.03465	0.5
83.05042	0.6
85.02961	2.3
93.03459	2.4
111.04500	1.6
115.28704	0.4
119.05022	34.6
119.49106	0.5
120.05362	1.3
126.20954	0.5
127.04100	0.5
133.86357	0.4
155.03510	1.5
163.03999	100.0
164.04367	4.2
173.04561	5.1
191.05594	28.5
192.05943	1.4
337.09247	9.8
338.09579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.21030	0.5
69.65523	1.1
69.65923	2.0
72.54964	0.5
85.02949	1.4
93.03462	2.3
98.19943	0.9
111.04511	2.5
112.98598	0.9
119.05022	52.9
120.05370	2.1
135.04556	0.6
155.03436	1.7
162.11041	0.6
163.04002	100.0
164.04323	4.1
173.04547	3.4
191.05594	8.8
337.09332	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.23248	0.4
52.09009	0.3
57.03431	1.0
59.01376	1.9
60.99298	0.6
67.01887	4.2
69.03440	0.9
69.50316	1.8
69.50732	0.8
71.01379	3.6
72.53052	0.4
75.79624	0.3
81.03472	0.7
83.05017	1.0
85.02937	3.2
87.00888	1.2
93.03452	26.1
94.03774	0.8
98.20682	0.4
108.29816	0.3
109.02963	0.7
111.00888	1.0
111.04513	4.0
113.02500	0.4
119.05019	19.0
120.05348	1.2
127.03960	0.8
137.02426	3.3
145.02974	0.7
148.88689	0.4
155.03499	4.0
163.04001	16.0
164.04349	0.9
173.04533	100.0
174.04892	5.1
191.05600	18.4
192.05937	0.9
248.84435	0.4
336.32410	0.4
337.09253	5.0
338.09506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09375	0.4
69.76406	1.5
83.05076	0.4
85.02943	0.8
85.42126	0.4
93.03450	1.6
111.04501	1.7
119.05019	28.8
120.05314	1.6
129.62968	0.3
137.02431	0.5
155.03488	1.8
159.81224	0.4
163.03998	100.0
164.04333	3.5
173.04533	5.0
174.04846	0.5
174.20313	0.4
191.05592	13.6
192.06010	0.4
212.86772	0.4
225.04460	0.4
337.09277	7.0
338.53711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57318	0.3
57.03441	0.7
59.01370	1.5
60.99281	0.3
67.01888	3.4
69.03446	0.6
69.25311	1.1
69.25719	1.8
71.01379	2.5
81.03442	0.6
83.05019	0.8
85.02964	0.4
93.03457	20.6
94.03785	0.6
98.20662	0.7
99.00883	0.4
109.02936	1.0
111.00876	1.0
111.04516	4.4
113.02422	0.5
119.05024	11.6
119.56117	0.3
120.05322	0.5
123.06773	0.4
132.18427	0.3
137.02434	4.2
141.65990	0.3
155.03514	4.4
163.04008	20.0
164.04338	0.9
173.04539	100.0
174.04890	4.7
191.05652	2.1
222.81868	0.3
330.26691	0.4
337.09308	4.0
338.09933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60555	1.4
59.01377	57.4
70.37109	4.8
71.07507	1.9
76.74753	1.7
78.07593	1.4
98.20277	3.8
98.69483	1.5
99.00642	10.3
112.74412	1.6
113.99324	3.0
142.99619	2.9
158.68552	2.1
162.77106	1.6
175.59149	1.7
195.07915	1.7
253.21695	100.0
254.22139	9.4
335.22006	95.9
336.22437	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	335.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68480	0.3
59.01382	18.9
60.01708	0.3
71.09895	0.7
73.97240	0.4
74.98475	0.4
88.46355	0.4
122.24779	0.4
137.82527	0.4
163.06918	0.4
174.36612	0.4
178.00487	0.3
179.85278	0.3
216.12982	0.4
253.21727	100.0
254.22072	8.4
335.22043	25.5
336.22354	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	336.9399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39148	0.8
58.03468	0.9
59.01383	4.6
61.40944	0.8
62.96337	0.8
69.28825	7.5
71.01385	1.2
76.95695	1.1
78.95900	1.4
83.72067	0.9
96.96015	3.2
98.19805	1.7
105.19615	0.9
108.37529	0.8
110.30845	0.9
113.02419	1.0
119.93773	1.2
127.90497	0.9
134.96082	28.1
135.96135	1.4
136.94005	71.4
137.94083	5.0
151.92731	4.4
152.91760	31.7
152.92709	0.8
167.90475	3.0
178.95056	100.0
179.95137	8.6
192.95909	1.5
194.92807	52.6
194.95613	2.5
195.93208	1.0
210.90724	1.8
212.93846	4.0
218.93097	1.1
220.94466	1.2
250.93842	1.5
252.91829	3.7
256.87668	1.4
274.88733	5.4
276.93524	1.4
292.95016	8.0
294.85202	1.0
294.92804	16.6
295.93118	1.3
336.93970	86.6
337.94162	9.2
354.84485	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	335.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14474	0.8
59.01377	100.0
60.01723	1.0
69.74929	5.1
71.01363	2.5
73.02948	0.8
74.22125	0.9
85.02946	1.0
98.20683	1.0
100.49606	0.8
108.93906	0.7
135.04451	1.1
239.12921	1.2
249.68013	0.9
263.55420	0.9
335.15057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25307	1.4
59.01378	100.0
60.01710	1.6
61.98841	1.9
65.97235	1.4
69.55952	3.5
69.56341	4.0
71.01381	19.3
75.00864	3.0
85.02937	9.2
89.02447	2.4
95.01371	2.0
99.00883	4.0
103.48125	1.5
105.27837	1.3
107.64193	1.4
113.02470	9.8
121.06623	3.1
125.09732	2.8
129.01895	1.7
131.75587	1.6
137.09709	3.3
141.51241	2.3
153.09230	3.3
175.02477	1.9
180.05141	1.5
181.08641	3.5
191.03481	2.0
192.04266	2.3
207.10190	1.9
211.13364	2.1
213.11296	6.6
215.77469	1.5
220.50351	1.3
229.52875	2.8
247.07640	1.5
255.03125	2.8
256.03781	8.4
279.25528	1.7
283.02463	3.4
284.03229	25.4
285.03687	4.9
298.04709	1.4
317.13797	1.5
317.49667	1.4
335.15018	2.9
335.18631	3.5
335.22192	1.8
359.07730	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	333.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76676	10.5
59.01362	31.4
71.56651	18.8
96.96017	100.0
342.28699	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	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01690	0.8
61.98825	0.9
69.36846	2.8
69.37270	2.5
71.01381	2.0
73.80345	0.7
80.05029	0.6
81.29425	0.7
84.35026	0.8
98.19842	1.2
101.02420	0.8
102.80450	0.6
108.12939	0.7
120.99715	0.7
234.03221	0.7
247.04727	0.7
255.12422	3.2
261.24585	0.8
277.70401	0.7
333.13510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	41.6
60.01970	0.8
61.98829	0.9
69.53182	5.1
71.01382	3.8
73.02942	0.9
83.01385	1.2
85.02954	2.1
89.02451	1.5
91.04027	1.9
101.02450	3.1
105.01927	2.7
111.08166	1.5
113.02457	1.3
137.09729	10.9
155.10771	100.0
156.11121	5.0
161.04610	1.0
163.72061	0.9
164.07188	1.2
171.10262	30.0
171.75824	0.9
172.10594	1.5
173.04535	1.1
181.08681	3.9
194.28488	0.8
197.11916	1.5
199.09724	19.8
200.10025	1.2
215.12901	4.4
217.10785	39.9
218.11154	2.1
241.10884	1.1
249.82539	0.9
273.13409	23.0
274.13663	1.9
291.14478	82.1
292.14703	5.1
333.15552	40.6
333.19196	3.5
334.01288	1.1
334.16226	3.2
351.16333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46933	0.7
56.88525	0.7
59.01386	20.9
69.33458	1.6
69.33858	6.1
74.44901	0.8
91.62707	0.9
104.47769	0.8
233.19247	0.9
251.20171	100.0
252.20511	10.2
333.20502	23.0
334.20685	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	334.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27094	0.6
59.01381	5.0
61.98827	100.0
69.54430	1.2
69.54839	2.4
71.01398	1.0
73.02948	0.6
78.47207	0.6
83.01354	0.7
87.00876	0.6
97.09126	0.5
98.19923	1.3
111.08176	0.9
135.04573	1.1
174.01709	1.9
191.11945	0.5
193.05057	0.7
198.12938	0.6
213.99756	0.5
285.96469	0.6
318.84741	0.6
335.12860	1.2
335.20883	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	333.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42210	0.4
57.03453	1.0
59.01380	4.6
60.99309	0.7
61.98824	2.3
65.03975	0.4
67.01895	4.5
68.02673	0.4
69.03455	1.0
69.48855	0.9
69.49265	2.1
71.01382	4.1
73.02942	0.5
75.64513	0.4
81.03465	1.1
83.05042	1.7
84.01412	0.4
85.02949	1.0
87.00900	0.8
89.02460	0.7
93.03460	27.1
93.93353	0.4
94.03783	0.8
95.05034	2.9
97.06590	18.1
98.06918	0.5
98.19940	0.8
101.02424	0.8
108.04542	1.9
109.02969	0.6
111.00885	1.2
111.04517	6.0
113.02433	1.0
115.07635	4.9
117.46902	0.4
119.05006	0.4
127.04046	1.0
135.04599	0.5
136.04027	2.8
137.02444	4.8
141.05609	0.7
155.03523	4.3
159.06635	29.5
160.06978	1.1
173.04547	100.0
174.04889	3.6
179.47261	0.4
191.05617	1.6
191.07182	0.9
235.06068	0.8
262.52701	0.4
269.04388	0.5
298.09195	0.5
333.11890	18.8
333.19891	0.6
334.12241	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	333.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.6
60.60793	1.5
65.08160	1.4
67.12701	1.4
87.63908	1.5
94.97898	1.9
96.96007	100.0
118.62557	1.6
128.23570	1.5
130.56241	1.7
201.26260	1.6
208.30962	1.9
250.82416	1.7
311.89700	1.8
319.86386	1.7
333.20587	2.2
333.24359	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	333.0592
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
70.24413	2.0
78.95900	90.5
88.81546	0.8
95.41946	0.6
96.96959	17.4
108.38232	0.6
141.52472	0.6
150.98047	0.9
152.99580	73.4
153.99940	1.3
157.59645	0.6
168.99876	0.8
171.00644	9.0
191.05612	1.5
195.01440	2.5
201.51462	0.5
223.00105	1.0
231.03445	0.6
241.01186	37.6
242.01605	1.0
259.02170	2.3
273.04639	13.0
274.04813	1.7
333.05893	100.0
333.96011	0.8
334.06210	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.4
64.16093	0.6
71.01389	1.4
71.56451	0.8
78.03521	0.9
79.95739	1.4
82.49598	0.7
85.02990	0.8
87.00877	1.8
92.05054	2.0
93.03458	3.0
94.06596	4.1
96.96064	0.9
101.02433	0.7
104.05063	3.4
105.03461	2.7
106.05944	1.1
106.06634	12.6
106.86971	0.7
108.04562	1.6
111.04549	0.8
119.05010	1.3
120.04559	5.3
121.05314	1.1
121.24519	0.7
122.06127	13.5
123.03259	1.7
123.06478	1.0
129.50841	4.8
131.03726	1.5
132.04570	8.5
134.06175	0.8
134.94400	0.7
135.03242	1.3
135.04475	0.8
138.05617	20.6
148.04024	1.1
150.05603	2.4
162.74742	0.8
166.05011	0.9
173.04556	7.2
173.08473	0.8
180.06656	2.9
189.07880	1.1
199.00572	0.9
209.11871	1.6
213.06696	1.3
215.11868	2.0
217.07477	1.2
226.07567	0.8
227.11967	0.9
228.08937	0.9
229.09785	1.0
229.72919	0.8
231.09038	1.0
231.11316	0.8
241.09830	2.7
243.11346	2.3
260.02274	1.0
271.10822	1.0
289.11942	100.0
290.12286	9.3
302.77478	0.9
333.10922	9.8
333.19940	0.8
334.11346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36745	1.4
50.63401	1.4
54.55122	1.5
55.64588	1.6
59.01379	26.7
66.19349	1.4
66.62807	1.5
71.01376	2.7
71.55716	1.9
78.95911	2.6
89.02457	2.3
101.75840	1.4
119.38432	1.5
129.57758	1.7
149.89937	1.5
152.99579	4.9
173.94263	1.5
208.22394	1.8
212.88521	1.5
223.20734	1.5
249.18590	100.0
250.18935	8.5
331.18909	23.8
332.19220	1.7
341.19046	1.5
344.05563	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	332.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
67.43962	0.3
71.01381	1.2
72.00910	14.4
73.02943	0.3
74.02476	10.8
75.00874	0.5
83.05013	0.9
85.02915	0.4
93.03443	2.7
95.09201	0.4
98.20654	0.8
104.03540	100.0
105.03873	2.1
111.04517	0.6
112.22555	0.3
113.02490	0.5
113.09712	0.5
135.04521	2.7
155.10747	0.7
159.10258	3.2
163.11397	0.5
173.04546	12.8
191.05666	0.4
209.11821	9.4
210.12120	0.7
211.12367	0.6
217.10803	0.3
227.12888	9.6
228.13167	0.7
229.13280	0.4
291.14459	0.5
291.22177	0.4
297.09811	0.4
332.17276	0.7
332.20816	0.8
333.15512	2.8
333.19281	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	331.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	1.9
67.13375	0.7
69.03459	9.2
69.17481	0.7
69.17879	5.6
71.01384	2.9
83.52941	0.6
84.02125	0.7
89.02420	0.6
97.02955	43.5
98.03312	0.8
111.04483	1.8
125.06039	2.5
127.07636	0.8
143.62621	0.6
152.00880	1.7
152.82898	0.7
163.02516	0.7
168.00380	0.7
177.01605	0.8
178.02477	5.3
191.03247	4.8
210.01488	4.9
219.06395	6.0
222.08723	1.3
223.09346	0.6
231.05183	0.7
233.07928	1.6
233.11540	1.9
234.08806	0.7
249.89587	0.6
261.11075	52.0
262.11844	100.0
263.12198	6.6
294.10873	11.6
313.17975	0.8
314.76804	0.7
331.18924	31.0
332.19217	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
69.47662	4.2
71.01402	1.1
75.66221	0.6
77.98516	0.6
79.16512	0.6
80.02666	1.5
81.03448	0.7
83.05032	4.5
84.02158	2.0
84.04539	1.1
95.05019	0.6
102.05610	28.8
117.86882	0.7
135.08113	0.9
145.31831	0.6
163.11302	3.6
165.12883	3.1
173.04581	1.0
188.73743	0.7
191.10820	1.1
197.30447	0.6
198.72850	0.6
209.11827	100.0
210.12140	6.7
227.12886	54.3
228.13181	4.6
248.65347	0.6
268.15472	0.9
286.16623	2.5
330.19162	2.7
331.13898	0.6
331.17435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.54651	0.5
59.01368	1.0
61.70033	0.5
69.03448	2.3
70.68519	1.2
70.68855	0.6
71.01376	0.6
79.01877	1.3
81.03448	1.2
83.01383	1.3
88.45557	0.6
89.52486	0.5
92.42805	0.5
95.01379	0.7
96.64730	0.6
97.02940	1.9
107.01393	1.5
123.00870	4.3
124.01664	13.1
125.02441	53.0
126.02759	1.3
149.02417	0.6
149.99582	26.3
151.00246	2.2
167.03455	1.9
168.00630	58.3
169.01335	5.2
169.05093	0.8
188.27994	0.6
193.05025	0.8
211.05992	0.7
214.69269	0.6
281.02557	0.6
281.38867	0.6
286.23093	0.6
313.05655	7.5
331.06674	100.0
332.06979	8.4
336.38885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.5
59.01381	57.1
60.01706	2.7
67.01886	1.4
69.41814	3.7
69.42243	2.4
71.01385	26.9
72.99305	1.2
74.02451	1.0
81.03439	1.2
83.01376	1.0
83.05040	5.4
84.02173	1.4
84.04546	1.0
85.02959	4.8
87.00873	2.3
89.02448	25.0
93.03480	6.2
95.01364	1.5
95.05032	1.0
101.02452	14.7
102.05612	30.7
111.04527	1.4
111.99549	1.4
113.02461	9.7
119.03506	9.1
121.88956	0.9
122.03733	1.4
130.08713	2.8
137.02411	1.8
138.01944	3.0
143.03490	2.1
151.02708	1.9
152.03531	10.2
153.03891	1.2
155.98500	1.5
157.08694	3.6
161.04568	2.7
163.11301	4.3
164.60786	0.8
165.12839	2.1
166.01468	3.1
167.02161	1.3
168.03017	32.1
173.04556	28.6
179.05608	3.6
191.10722	1.5
192.03040	1.8
209.11824	100.0
210.04056	7.0
210.12141	5.1
222.04076	3.1
227.12883	45.2
228.13185	2.5
240.05124	1.6
256.02380	0.9
268.15524	0.9
270.06204	2.5
286.17410	3.2
330.08286	49.0
330.20016	1.9
331.08655	3.6
331.13821	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	330.1195
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01380	16.6
61.98832	6.9
68.99823	2.2
70.06576	3.6
71.01387	9.6
72.99271	1.1
73.02946	1.5
83.01418	1.3
85.02965	3.1
86.00098	3.9
87.00874	19.7
89.02448	2.7
96.88746	0.9
99.00898	2.2
101.02439	4.2
107.03773	1.3
108.04539	1.6
109.02982	1.0
113.02428	4.0
115.00379	1.0
117.83344	0.9
119.03484	1.9
120.04530	1.1
120.32108	0.9
121.05353	2.1
122.06126	41.1
124.04073	1.1
129.01987	1.5
131.03877	1.4
132.98225	1.2
134.06120	4.4
136.04059	1.8
136.06744	1.8
136.07700	17.4
138.01950	1.1
138.05597	1.9
146.06108	0.9
148.07672	1.6
149.04778	2.4
150.05608	100.0
151.03981	1.9
151.05959	2.7
152.07155	7.4
153.28690	1.0
160.97565	1.3
161.04701	1.8
162.05598	2.7
164.07190	2.5
168.06664	2.0
174.05608	2.0
174.99269	2.0
175.06396	3.5
176.07153	6.9
180.36201	1.0
186.04097	1.6
194.08206	3.9
198.99246	1.2
204.06657	3.5
222.07715	2.7
270.02530	1.6
270.06796	1.5
270.97791	1.7
281.67978	1.0
300.10831	1.8
304.35852	1.2
312.10895	53.1
313.11206	4.1
330.04953	6.9
330.08047	2.0
330.11948	38.5
331.12134	3.8
345.04993	1.0
346.71213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1604
Annotation	Tetranor-Prostaglandin FM
Peak:m/z	Relative Intensity
55.01841	1.2
55.98464	1.1
56.27377	1.1
56.77584	1.1
57.03446	9.4
58.00606	1.0
59.01379	19.3
59.36825	1.1
67.15566	1.0
67.31777	1.2
69.03445	6.6
70.14576	1.0
71.01371	4.7
71.05009	2.2
73.02930	2.4
78.37122	1.0
79.51916	1.1
81.03450	4.0
83.01396	2.5
83.04983	1.2
85.02932	7.3
87.00871	48.6
87.04514	15.7
95.05045	2.0
97.06579	3.5
99.04510	19.3
101.02486	5.8
113.02451	15.3
115.07593	2.6
121.02955	1.4
123.08159	2.6
125.02296	1.3
125.09718	12.4
131.03491	54.8
132.03793	1.7
137.02412	1.6
147.04474	2.3
150.03172	2.2
151.11276	1.5
158.03674	1.8
159.04518	5.8
160.05298	14.0
161.04547	1.1
161.06055	5.8
163.03983	3.0
163.11230	1.8
164.04730	1.9
171.10223	2.5
173.06108	1.7
175.07626	9.0
177.05537	1.9
178.06358	2.4
181.12335	1.8
185.11823	12.9
185.52850	1.2
197.11844	7.0
205.15941	4.9
207.13829	2.3
209.11758	10.2
225.14922	5.8
231.13838	3.8
235.13274	1.4
239.12984	1.8
241.14491	1.7
241.18230	1.2
242.17461	1.4
249.14951	18.7
250.15271	2.5
267.13379	2.1
267.16028	28.7
268.16257	3.0
269.06946	1.4
269.14197	1.5
269.17419	1.9
285.17014	2.1
287.18652	20.6
288.18881	2.2
293.13675	2.1
297.13318	1.9
311.14929	14.7
312.15274	1.6
329.16220	100.0
330.16592	10.1
330.26358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47546	10.4
59.01377	100.0
60.80195	11.2
65.53049	10.3
69.30015	39.2
69.30432	56.7
78.95893	22.6
88.87363	10.9
106.21492	10.9
134.99728	12.1
152.99561	44.1
230.86014	11.8
246.59515	11.2
259.37054	11.8
279.23215	19.2
293.21216	38.9
329.06665	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	329.233
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03421	0.7
59.01347	0.4
67.49266	0.3
69.03442	0.5
71.01752	0.9
71.05009	0.4
81.02915	0.3
83.05024	0.5
92.74751	0.3
97.06567	0.4
99.08155	4.2
125.09711	1.5
127.11272	2.9
129.09193	0.4
130.81061	0.3
137.09769	0.5
139.11290	3.3
144.68758	0.4
155.10754	0.5
155.14413	0.8
157.12331	0.4
167.14386	1.2
171.10268	6.6
172.10539	0.4
183.13878	5.2
193.12323	1.6
199.13367	0.4
209.11780	1.0
211.13379	26.0
212.13756	1.7
229.14421	13.4
230.14706	0.6
247.59404	0.3
293.21158	0.9
311.22327	0.9
329.23297	100.0
330.23624	12.4
330.27640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03439	1.4
58.00600	0.8
59.01381	4.6
69.89641	2.0
71.01379	1.0
71.05007	0.5
73.02950	0.7
83.05010	0.6
85.02946	0.6
87.00871	0.6
93.03456	1.1
97.06610	0.9
99.08154	1.0
101.02457	0.5
111.04511	0.6
123.08178	0.5
124.88070	0.5
125.09747	4.6
127.11301	7.0
137.09702	1.4
139.11295	3.0
141.09238	1.0
151.07773	0.4
154.19443	0.4
155.03398	0.5
155.10780	2.8
157.12341	0.6
165.09164	2.5
171.10269	12.8
172.05356	0.6
173.04555	1.5
173.05959	0.7
183.10260	1.3
183.13940	1.0
191.05614	0.5
199.09749	1.7
201.11316	40.4
202.11623	2.0
209.11867	0.4
211.13362	4.1
221.11830	1.9
229.14398	1.9
241.13593	1.2
243.11380	1.9
263.20224	0.4
275.20120	1.5
283.13367	3.0
293.21100	2.8
301.14386	1.4
311.22299	3.7
329.23309	100.0
330.23639	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	1.1
69.49453	1.2
69.49860	4.6
71.01376	3.9
80.54092	0.7
81.05976	0.8
85.02953	1.3
93.03465	1.1
95.28584	0.9
98.20611	1.3
101.02428	4.8
102.05603	4.0
113.02404	0.9
130.08763	0.9
145.02922	1.6
161.03235	0.7
161.04572	3.9
167.03534	1.0
173.04543	2.7
209.11806	16.1
227.12900	7.0
247.59047	0.8
261.58582	0.9
269.10355	4.1
329.11676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01716	1.4
69.93257	0.6
71.01378	3.9
73.02946	1.4
81.03472	0.6
83.01425	0.6
83.05040	1.7
85.02972	1.7
90.76546	0.5
93.03468	1.0
99.00892	0.8
100.67120	0.5
101.02472	3.1
102.05622	6.1
113.02497	1.2
119.05012	5.1
130.08746	4.5
133.02977	1.1
135.04587	0.6
161.04515	3.6
163.04002	5.0
163.11264	0.9
173.04643	0.8
199.18217	1.3
205.55186	0.5
209.11829	25.5
227.12885	11.3
227.15106	0.6
256.20386	1.2
269.10294	5.2
286.16519	0.8
291.08835	2.8
301.06296	1.8
329.05734	6.8
329.11237	2.6
330.20300	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	329.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58459	0.8
54.54203	0.7
54.61585	0.7
54.61861	0.6
59.01373	3.1
61.98832	100.0
65.48202	0.8
65.94363	0.8
69.16508	0.7
69.75452	4.2
71.01395	1.2
82.25761	0.8
89.02435	1.0
95.01403	0.9
108.02190	1.8
120.17668	0.8
121.23270	0.7
122.03768	1.0
123.00904	4.9
123.04505	1.4
139.00394	1.5
166.99843	0.9
167.03456	2.4
173.76918	0.7
191.05620	1.4
198.99371	0.8
268.95978	1.9
269.55389	0.8
277.83215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.72200	0.4
59.01370	1.5
62.87488	0.4
70.15897	0.7
70.16292	1.0
71.01379	0.9
83.01364	0.5
85.02961	0.4
88.04056	0.5
93.03444	0.5
99.31432	0.4
108.02168	54.2
109.02516	1.3
123.04521	21.8
124.04909	0.7
134.28842	0.4
152.01140	37.6
153.01506	1.5
167.03484	100.0
168.03836	3.7
209.04529	0.6
237.08899	0.4
329.08530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1141
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
50.02355	0.8
54.28056	0.6
59.01381	5.3
62.43245	0.7
69.41125	1.9
69.41528	4.4
71.01375	0.9
82.02979	6.8
93.03451	1.6
94.03001	0.8
99.89585	0.7
104.05054	1.4
106.06622	7.6
108.04564	1.7
110.02496	0.8
122.06107	3.1
122.53112	0.8
132.03531	1.4
132.04546	28.1
133.05278	2.7
134.06116	32.2
135.04585	1.0
135.06487	0.9
136.04015	2.1
138.05733	0.7
142.13164	0.8
148.04041	1.1
148.24965	0.7
149.04727	1.8
152.07199	1.7
160.04031	17.8
160.23715	0.7
161.04814	33.5
162.05602	78.9
163.05975	3.8
163.31557	0.7
164.07089	1.1
173.04535	2.6
176.03519	3.2
178.05052	1.4
193.03793	45.8
194.04305	2.9
212.07130	4.8
213.07928	2.6
214.08788	5.2
226.08723	2.1
227.08104	0.8
240.10292	1.4
241.06178	6.2
242.11810	6.1
243.11293	3.5
252.53224	0.8
255.07698	1.6
257.09323	9.4
267.11407	0.9
268.09726	2.4
269.09317	6.8
285.12448	68.6
286.12775	7.5
311.10364	10.6
329.11392	100.0
330.11685	11.2
330.15302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
69.24707	0.6
69.73448	2.6
69.73783	0.5
85.02960	2.9
85.79051	0.5
97.06595	2.3
98.19898	0.7
102.16844	0.4
125.09730	0.6
127.11262	0.9
171.10280	5.6
177.12788	0.6
181.12523	0.5
183.13927	2.7
185.11850	0.9
193.12314	0.8
199.86520	0.4
209.11819	0.8
211.13399	11.1
212.13780	0.8
214.16093	0.5
218.92151	0.4
220.16200	0.4
221.11835	2.1
224.13721	0.4
229.14449	7.7
230.14612	0.5
235.58098	0.5
239.12875	1.7
291.19574	1.8
322.91257	0.5
327.21762	100.0
328.22156	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	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01374	10.7
68.34975	2.8
71.01352	3.1
71.11957	2.8
71.12299	7.2
73.51548	2.4
81.58096	3.0
82.65862	2.7
83.05016	5.7
89.02494	3.4
91.03964	4.3
92.42793	3.0
103.40162	2.7
118.17878	2.6
124.28525	2.7
166.30115	2.8
169.53709	3.4
185.00751	3.9
235.20641	26.1
250.45781	3.3
253.21729	100.0
254.21989	10.2
319.38736	2.8
327.18585	14.5
327.21976	15.7
327.28854	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	327.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.2
61.98827	3.4
69.23100	27.4
78.90600	2.8
83.05019	6.3
89.02446	3.1
89.41720	3.4
91.04006	3.8
94.75484	2.6
171.10300	3.5
185.00758	5.0
235.20638	21.1
253.21722	100.0
254.22061	8.5
309.20581	3.1
327.18137	9.8
327.21808	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	329.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74696	0.5
56.98136	0.5
59.01379	41.0
61.98821	1.4
69.26820	4.6
98.20607	1.0
115.02502	2.3
115.85634	0.5
117.00439	4.0
125.00935	0.7
126.98912	0.8
143.01990	3.0
157.03557	1.1
159.01495	60.9
160.01628	4.0
168.99921	3.1
170.97795	4.8
171.97993	0.7
183.93190	0.6
185.01259	0.6
187.00978	100.0
188.00478	11.2
201.02541	13.6
202.02748	1.3
214.67647	0.6
232.98172	0.6
241.00346	0.6
260.04272	0.6
274.99539	2.7
311.00873	0.9
312.01288	0.7
328.96811	1.4
329.02243	4.2
330.02402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03447	7.6
57.85139	0.8
59.01384	1.0
62.33187	0.8
69.03436	0.9
69.18163	6.4
69.18572	2.2
97.06557	1.2
98.20636	2.0
113.09727	14.1
125.09718	6.9
127.11293	9.2
130.33684	0.8
137.09721	2.3
139.11282	2.0
141.09149	1.2
151.11305	2.4
153.09221	1.2
155.10773	3.7
157.12294	0.9
165.09187	3.3
171.10286	9.1
183.10172	1.0
195.10272	2.2
199.09750	2.4
201.11313	59.3
202.11623	3.0
211.13441	1.5
213.11310	35.3
214.11720	2.6
229.14330	1.1
291.19711	4.8
309.20721	11.6
327.21753	100.0
328.22092	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	327.0498
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
51.89603	0.1
55.01877	0.1
59.01377	0.1
63.02391	0.2
65.00317	1.0
65.03944	0.1
66.00600	0.1
67.01888	0.2
68.99809	0.2
69.03448	0.2
69.30987	0.1
77.03960	1.7
79.01886	1.6
81.03445	0.6
83.01378	1.0
83.05048	0.1
89.03974	0.1
91.05539	0.3
93.03443	0.9
95.01385	0.2
95.05018	0.3
97.02937	1.4
99.00890	0.2
103.05547	0.1
104.02676	0.1
105.03451	1.1
107.01377	1.5
107.05025	0.1
108.02192	0.2
109.02946	3.2
115.01938	0.1
117.03475	0.3
119.05013	2.3
120.05337	0.1
120.06193	0.1
121.02951	3.3
122.03288	0.1
123.00869	0.6
123.04543	0.4
125.02447	2.4
126.02771	0.2
129.05577	0.1
131.01358	0.1
131.05028	0.1
131.07126	0.2
132.02139	0.6
133.02945	24.1
134.03455	0.6
135.00908	0.3
135.04523	3.0
136.01608	0.2
136.04913	0.1
137.02448	0.8
139.03979	0.1
142.33684	0.1
143.05017	0.2
145.02943	0.8
146.03691	0.2
147.00908	0.1
147.04504	1.8
148.01646	0.9
149.02426	2.4
149.99541	0.1
150.02962	0.1
151.00349	0.6
151.04005	0.8
155.08534	0.1
157.02986	0.1
157.06590	0.1
159.04535	0.2
161.02428	0.8
162.03218	0.1
163.00351	0.7
163.03998	5.8
164.01126	0.4
164.04330	0.2
164.21558	0.1
165.01913	2.8
166.02202	0.1
167.03635	0.1
167.05020	0.1
169.06477	0.1
170.03703	0.1
171.04514	0.4
171.08090	0.1
172.05312	0.1
173.02428	0.8
173.06044	0.2
174.03156	0.3
175.00461	0.4
175.03981	3.9
176.01131	0.3
176.04355	0.2
177.01923	0.5
180.05756	0.1
181.06564	0.2
182.03772	0.1
183.04402	0.3
183.08081	0.1
184.05231	0.2
185.06039	0.5
186.03238	0.1
187.04012	0.3
187.07643	0.2
188.04762	0.1
189.01884	0.4
189.05495	0.3
190.02657	0.2
190.99858	0.2
191.03493	2.6
192.03810	0.1
193.01399	2.8
194.01797	0.2
195.04515	0.3
196.05240	0.3
197.06056	0.2
198.03212	0.6
199.03990	1.6
199.07597	0.3
200.04836	0.3
201.01921	1.6
201.05638	0.2
202.02495	0.2
203.03427	0.1
203.07140	0.1
209.06081	0.5
210.03226	0.1
210.06764	0.2
211.04016	1.1
211.07597	0.4
212.04742	0.9
213.05544	1.8
214.02765	0.1
214.06082	0.1
215.03500	0.2
215.07037	0.1
216.04193	0.1
217.01445	0.2
217.05046	0.5
219.90733	0.1
223.03973	0.1
224.04810	0.2
225.05556	0.6
226.02692	0.2
226.06248	0.2
227.03484	0.6
227.07062	0.7
228.04160	0.2
229.05005	0.5
229.67473	0.1
230.05772	0.1
231.06636	0.6
232.79799	0.1
236.04774	0.1
237.05609	0.6
237.09105	0.1
238.06131	0.1
239.03476	0.4
239.07083	0.1
240.04240	1.2
241.01355	0.1
241.05017	1.1
242.02254	0.3
242.05736	0.1
243.02905	0.5
243.06642	0.3
251.03557	0.1
253.05084	0.8
254.05690	0.3
255.02856	0.4
255.06590	1.2
256.03754	0.9
256.06671	0.1
257.04459	0.5
259.06015	0.4
263.03510	0.1
264.04132	0.1
265.05026	0.2
266.02414	0.1
267.03015	0.1
269.04562	0.5
270.05350	0.3
271.06049	0.6
272.06467	0.1
279.02936	0.1
280.03796	0.1
281.04501	0.9
282.05215	0.1
283.02505	0.3
283.06656	0.3
283.09790	0.3
284.03226	13.1
285.03622	1.3
291.08994	0.1
297.04028	2.0
298.04782	4.9
299.05560	21.8
300.05917	2.0
309.04062	0.7
310.04422	0.1
325.03488	0.2
325.10300	0.1
327.05051	100.0
328.05396	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	326.1608
Annotation	Cropodine
Peak:m/z	Relative Intensity
51.37221	0.7
57.03422	1.0
59.01373	2.9
59.53423	0.8
61.98828	2.3
63.32121	0.7
66.69987	0.7
69.03457	0.9
71.55293	1.2
76.15479	0.8
81.18938	0.8
83.05048	0.9
84.04556	5.8
87.00905	0.9
96.00921	2.7
96.04552	1.5
97.01678	2.4
97.02943	1.5
98.02476	2.7
100.04060	2.4
102.05613	19.1
116.97625	0.8
133.02989	0.9
135.11787	1.4
136.05240	0.8
140.03581	1.5
144.25441	0.8
151.11279	2.1
161.09703	1.2
169.12331	6.8
173.04578	1.9
178.12428	1.7
179.10751	9.6
183.05371	6.7
185.11807	3.2
195.10277	1.2
196.13409	1.2
197.11852	1.5
204.10158	2.2
205.08572	1.9
207.10330	0.8
213.11314	3.7
222.11330	18.0
223.09734	18.0
223.11847	1.2
240.12399	44.0
241.12711	3.0
264.16046	1.8
282.17184	1.4
308.15002	3.5
311.09335	1.0
326.16074	100.0
327.05148	1.5
327.16388	9.5
327.21835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01380	1.7
61.98832	0.6
71.26157	0.9
85.83939	0.4
101.64674	0.4
119.05048	0.6
133.06497	0.6
149.09729	90.3
150.10078	4.7
163.11298	100.0
164.11642	6.3
170.00517	0.5
183.01210	17.1
184.01833	1.2
197.02652	0.6
216.01054	0.6
225.05765	0.5
247.50911	0.4
267.79639	0.4
298.63696	0.4
325.18298	31.7
325.21667	97.7
325.27759	2.4
326.18661	3.8
326.22012	12.8
326.26468	0.6
326.27563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.7
58.00587	1.5
59.01373	1.9
61.12054	1.2
69.03449	1.3
71.01337	2.2
71.01672	1.3
71.05022	1.8
73.02939	1.1
83.05009	2.5
83.61450	0.9
85.02938	1.6
87.04520	1.1
88.85535	0.8
90.18349	0.9
97.06557	2.9
109.06578	3.5
110.26966	1.0
111.08152	21.6
123.04440	1.2
123.08129	4.2
125.06071	1.3
125.09718	25.4
127.11293	10.0
135.04475	3.4
135.08122	1.6
137.09698	8.7
139.11293	1.5
141.09218	2.3
151.11275	3.5
153.09184	4.2
155.10712	4.5
164.08429	1.5
165.09213	1.8
167.10689	1.9
171.10255	15.4
177.08923	1.2
183.10184	1.5
189.09160	1.8
195.10222	3.8
197.11777	5.5
199.07933	1.2
199.09712	2.6
201.11307	66.6
202.11617	2.3
209.11768	2.3
211.13348	4.1
213.11302	42.8
214.11639	3.5
227.12843	1.6
229.54266	1.0
237.14981	3.6
245.19023	1.7
250.12009	2.0
263.20267	1.0
289.18057	21.8
290.18362	1.7
307.19110	43.8
308.19235	4.6
319.53906	1.0
325.14679	7.5
325.20163	100.0
326.20560	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61492	1.4
57.03446	7.5
59.01390	2.9
69.03448	3.4
70.56306	4.0
71.01392	2.2
71.05026	8.0
80.02665	2.0
81.03487	1.8
81.37389	1.4
83.05023	6.0
85.06590	2.1
87.04520	3.7
91.05535	1.5
95.05013	2.0
97.02932	4.1
97.06580	6.6
107.05058	1.8
109.06593	34.3
125.06042	2.4
127.07636	3.1
151.11281	2.0
157.21049	1.3
167.10742	1.5
169.12347	9.7
171.10304	3.7
181.12326	5.3
183.13997	3.3
193.12306	2.2
197.11836	59.4
198.12170	2.9
199.13409	5.8
209.11798	4.9
211.13391	36.3
212.13808	2.4
219.13857	3.4
225.14981	1.6
227.12718	2.4
235.13414	5.2
237.14973	5.6
243.86398	1.7
249.14952	4.4
251.16858	1.4
289.18109	6.0
307.19147	4.5
325.20190	100.0
326.20596	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47134	1.6
57.03445	2.5
62.29645	1.2
66.08527	1.2
69.20107	13.8
69.20441	2.9
71.01379	7.9
71.05000	3.0
80.02611	1.3
83.05016	4.5
83.46564	1.3
84.02160	4.0
91.43436	1.1
95.05042	3.8
97.02958	1.2
97.06570	4.6
99.08147	4.8
101.18346	1.2
109.06591	2.4
111.04542	1.4
111.08110	1.7
112.05254	1.7
112.10060	1.3
115.07640	3.1
123.08152	2.6
125.09723	6.0
127.07645	17.6
135.08176	3.1
137.09727	1.7
139.07657	6.2
153.09209	11.2
155.10779	5.0
163.11250	2.4
171.10262	18.9
178.09949	2.0
181.12305	1.5
184.46822	1.4
185.11813	17.9
191.10750	1.2
191.14473	1.6
194.20250	1.4
197.11830	15.4
209.11806	73.9
210.12122	4.8
211.13245	1.4
227.12778	1.5
231.32407	1.6
237.14926	3.5
238.12090	6.5
245.18971	4.0
253.18060	1.7
256.13077	3.9
263.20303	2.2
271.96820	1.3
273.46426	1.6
281.21109	1.7
289.18048	13.1
307.19119	100.0
308.19489	10.5
325.20154	54.5
326.20541	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95472	0.3
60.76482	0.3
79.95709	1.5
80.09923	0.3
89.28278	0.3
98.20175	2.2
99.86743	0.3
119.05032	1.2
126.42809	0.3
170.00401	1.0
182.91992	0.3
183.01193	49.4
184.01881	3.9
197.02740	3.6
198.03575	0.5
216.00935	1.6
225.05940	0.9
229.14015	0.4
230.02483	0.5
239.07440	0.7
270.13983	0.3
325.18393	100.0
326.18707	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03440	1.3
59.01379	7.5
67.15826	1.2
69.29887	7.5
69.30289	2.0
70.72679	1.3
71.01376	1.5
71.05029	2.3
80.02666	4.2
83.05022	4.6
84.02161	2.3
95.05048	1.4
97.06596	4.3
106.88126	1.1
115.07628	4.0
123.08147	2.0
125.09718	26.4
126.10087	1.4
127.11241	1.7
135.08119	1.6
135.54921	1.2
137.09698	14.1
142.93617	1.2
155.10796	10.6
163.11328	3.8
165.12833	2.3
167.14421	1.6
171.10278	2.0
178.09985	3.4
181.12346	1.9
183.01192	1.5
207.17506	1.3
209.11813	57.1
210.12193	3.7
215.12929	1.9
222.82829	1.3
227.12859	2.3
249.18616	1.8
279.19565	1.7
281.21048	2.7
289.18011	4.5
307.19147	100.0
308.19495	8.9
308.61441	1.3
325.20056	14.6
325.23880	6.6
326.20074	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.28329	1.3
58.99812	1.4
59.01366	2.5
60.16503	1.3
69.20862	6.7
69.21282	9.0
71.01369	5.6
72.02161	2.1
73.02995	1.9
81.03461	1.5
83.05033	5.8
84.02174	3.3
87.28615	1.4
97.06562	2.2
99.08169	3.4
109.06516	1.4
111.08163	4.5
115.07658	1.9
125.09711	5.6
127.07658	17.7
135.08195	1.5
137.09679	3.4
139.07632	4.4
147.12630	1.6
155.10814	3.6
161.06889	1.5
163.11273	2.7
165.12837	2.3
171.10280	5.5
178.10013	3.0
185.11821	22.5
190.99950	1.3
191.10809	2.0
197.11826	20.4
201.11331	10.4
209.11829	70.9
210.12123	3.2
213.11302	5.5
220.57394	1.6
227.12794	3.8
234.33380	1.5
238.12053	7.1
243.08484	1.7
245.19025	2.2
256.13312	3.3
279.19754	1.6
289.18146	8.7
295.73264	1.6
307.19159	100.0
308.19476	11.7
325.20190	59.3
326.20639	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	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65307	0.5
59.01381	77.1
60.01717	0.9
61.98835	2.1
66.18468	0.4
70.10653	2.2
71.01378	3.2
73.02965	1.0
79.52592	0.4
85.02969	1.5
87.00936	0.4
88.59775	0.4
89.02452	1.3
93.03446	1.0
101.02435	2.6
101.11513	0.4
107.03635	0.7
108.24366	0.4
113.02460	1.6
119.05031	100.0
120.05376	4.6
134.04735	46.3
161.04593	2.7
163.04016	83.2
164.04358	4.5
173.04572	1.2
175.28671	0.4
265.12921	9.3
266.08911	1.2
266.13351	0.4
325.09415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65307	0.5
59.01381	77.1
60.01717	0.9
61.98835	2.1
66.18468	0.4
70.10653	2.2
71.01378	3.2
73.02965	1.0
79.52592	0.4
85.02969	1.5
87.00936	0.4
88.59775	0.4
89.02452	1.3
93.03446	1.0
101.02435	2.6
101.11513	0.4
107.03635	0.7
108.24366	0.4
113.02460	1.6
119.05031	100.0
120.05376	4.6
134.04735	46.3
161.04593	2.7
163.04016	83.2
164.04358	4.5
173.04572	1.2
175.28671	0.4
265.12921	9.3
266.08911	1.2
266.13351	0.4
325.09415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1449
Annotation	8-(3,3-Dimethylallyl)spatheliachromene
Peak:m/z	Relative Intensity
53.25664	0.9
53.87433	1.1
57.03452	5.0
58.00574	2.5
59.01361	1.6
69.03428	2.8
71.05029	1.6
71.56470	1.1
73.02961	1.6
73.65491	1.0
80.02674	1.4
83.05020	1.6
84.02164	1.3
85.02982	1.1
87.04523	1.2
97.02953	1.2
97.06581	3.7
97.72032	0.9
109.06568	3.4
110.03764	1.6
111.08161	23.8
123.08147	3.6
125.06112	1.3
125.09725	33.7
126.10061	2.0
127.11283	13.0
137.09714	9.8
139.11281	2.1
141.09227	2.3
143.10725	1.2
151.11272	4.9
153.09203	4.5
155.10779	5.3
157.92737	1.0
164.08372	1.5
165.09261	4.9
169.12311	2.3
171.10266	16.9
177.09186	1.2
183.10275	2.2
185.11700	1.1
195.10306	5.7
197.11826	3.9
199.09727	4.4
199.13435	1.6
200.10135	1.1
201.11314	86.0
202.11591	4.9
211.13408	3.7
213.11311	57.5
214.11613	2.5
237.14917	3.3
244.69771	1.1
245.19032	2.0
255.16055	1.5
256.82343	1.2
274.22983	1.2
289.18088	25.3
290.18457	1.4
307.19122	48.1
308.19522	4.2
325.14166	2.8
325.20172	100.0
326.20490	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.1
60.94349	1.0
61.98825	1.5
66.92007	1.2
69.36938	9.8
71.01397	1.5
72.09083	1.2
75.84377	1.1
83.05068	1.2
86.63738	1.1
88.57336	1.3
118.27768	1.2
119.08671	1.2
125.09748	3.1
135.08084	1.4
148.09012	1.6
150.10501	1.2
151.11324	1.3
165.12842	17.0
166.13188	1.6
171.10294	10.7
172.10530	1.5
191.90904	1.3
247.20581	10.3
273.18597	10.7
291.19638	100.0
292.19946	10.0
305.17758	2.4
305.21204	7.2
323.22000	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48129	2.1
55.00970	2.4
57.03442	6.3
59.01382	25.5
71.01382	42.7
71.20296	2.7
71.20642	5.0
72.99305	22.4
85.02953	62.5
86.25848	2.2
87.00868	4.5
88.36964	2.0
89.02446	6.6
95.01395	11.2
103.00366	6.9
113.02446	100.0
114.02729	2.9
114.99570	3.9
115.00375	72.5
124.27340	2.2
129.00475	4.6
130.02658	2.2
133.01430	33.1
144.98164	6.9
145.06175	4.7
145.09853	12.2
152.95947	46.2
170.96068	9.2
170.97263	5.0
172.00998	10.7
175.02448	26.6
186.99248	3.4
191.05629	2.9
193.03572	19.0
212.97139	2.5
226.89244	11.6
247.04509	4.2
265.05649	8.4
282.91681	5.3
283.96249	2.8
324.93753	4.0
325.07596	33.3
325.10767	4.9
325.97668	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28730	0.4
59.01395	0.3
71.00325	0.4
71.00639	0.6
73.47899	0.3
119.05024	100.0
119.60958	0.4
120.05354	3.9
152.78775	0.4
163.04002	76.2
164.04329	4.1
222.31294	0.4
325.09268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
69.83537	2.1
96.30299	0.5
100.56558	0.4
106.41778	0.5
118.81986	0.4
119.05020	100.0
120.05368	3.9
130.80756	0.4
163.04001	81.7
164.04346	4.0
176.08430	0.4
344.04242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1444
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
56.39767	0.5
59.01370	2.3
66.33929	0.5
93.03461	1.2
98.19871	1.8
119.05031	11.1
121.02969	1.8
122.03757	1.8
123.04533	0.9
134.03757	1.8
135.04510	1.6
136.05246	0.7
137.02373	0.8
138.03238	0.7
147.04541	2.1
148.05309	1.1
149.02451	2.5
150.03241	5.8
151.03990	2.3
154.79379	0.5
163.03984	3.5
164.04808	14.0
165.09213	0.7
171.93297	0.6
175.04015	4.0
176.04813	4.7
176.08434	0.8
177.09262	0.7
189.05624	1.2
189.09293	1.4
190.06378	2.3
191.10773	6.8
193.08710	2.6
196.03757	1.8
197.11923	0.6
201.09271	0.6
203.07146	2.1
204.07919	4.0
205.08698	5.9
218.09470	11.8
219.10260	100.0
220.10600	8.1
229.58147	0.9
249.51817	0.5
293.20789	0.6
297.15112	0.8
303.27780	0.6
319.36615	0.7
325.14447	42.7
325.23346	2.7
326.14844	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	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.4
66.56726	1.4
69.03454	3.4
69.52403	3.4
69.52811	2.8
71.01379	2.1
95.05042	1.2
97.02940	1.1
97.06578	1.9
98.20773	1.0
123.04504	1.7
123.08162	2.1
125.09769	4.8
137.09727	1.7
139.11299	1.9
151.07634	1.5
163.11368	2.4
165.09233	2.8
177.12805	3.0
179.10779	3.2
179.79767	0.9
181.12285	2.2
195.13901	4.7
197.11867	10.7
221.11786	9.8
221.15436	1.8
233.15498	1.4
239.12875	2.4
241.10690	2.0
247.20616	1.5
253.14453	8.9
273.18619	2.4
291.19684	26.8
291.22983	1.5
292.20081	3.0
305.21194	13.4
306.21747	1.5
308.19852	6.5
323.18933	4.0
323.22275	100.0
324.22580	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	323.2224
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.29583	4.0
59.01364	11.6
70.78583	9.1
78.33625	4.0
84.02228	3.7
94.49625	4.2
97.06580	15.1
100.40075	4.0
114.21832	4.3
118.25073	4.2
124.05248	7.5
125.05242	6.3
125.06086	80.6
125.09732	8.4
126.06918	24.5
145.47191	3.8
155.10840	18.4
165.09158	4.0
165.12807	12.6
177.53703	3.7
183.01109	4.2
183.10239	10.6
198.39153	3.8
221.11629	4.0
252.13669	8.2
253.14401	35.5
254.15186	48.2
254.36954	4.2
273.18634	6.2
286.14478	5.0
291.19614	26.8
305.21188	15.8
323.16806	22.4
323.22256	100.0
324.22586	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.17458	1.2
57.03444	1.5
57.08871	1.1
59.01373	9.1
62.28059	1.0
62.94269	1.0
69.03445	1.4
70.50800	3.2
70.51162	1.3
71.05029	4.3
83.05009	2.1
84.72840	1.1
95.05009	1.2
97.06599	2.9
98.51869	1.4
111.08163	6.4
119.05048	1.5
121.03012	1.0
121.10216	9.0
123.08140	1.5
125.09709	4.8
128.00760	1.1
135.08156	1.9
135.11777	1.3
137.09720	9.6
147.08173	1.4
149.09702	3.0
151.11272	1.2
167.10666	1.2
171.10291	9.3
177.12796	3.6
185.11778	8.5
193.12291	1.4
195.13919	2.6
197.11787	1.5
209.11818	1.5
216.68732	1.2
217.08549	1.6
217.15955	2.9
221.11774	3.4
222.12476	2.6
223.13339	1.7
225.11360	1.2
225.14934	2.9
233.15356	1.8
238.11998	2.3
247.20667	2.0
253.14426	2.0
265.17987	1.9
273.18567	5.4
291.19641	61.5
292.19968	5.2
305.17770	1.3
305.21140	22.8
306.21448	3.1
323.22232	100.0
324.22552	9.8
337.30322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
57.33752	0.9
59.01367	1.6
62.41975	0.8
69.24387	6.7
70.90726	1.0
73.38392	1.0
79.21191	0.9
107.08680	2.6
125.09708	1.0
128.75522	0.8
139.11253	2.0
139.96539	1.1
144.47510	1.0
165.12874	1.3
181.12296	1.5
195.13873	1.4
197.11739	4.9
213.11298	1.9
213.14937	1.1
222.38443	1.0
229.14392	1.8
239.12749	1.7
241.14574	1.0
247.20599	2.6
263.20126	2.8
273.18561	2.8
291.19620	30.9
292.20010	3.1
305.21027	1.1
308.19940	6.7
323.22232	100.0
324.22540	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79015	2.1
55.01881	4.8
57.03449	12.7
59.01381	8.2
61.98841	2.3
69.03444	3.8
70.41045	8.9
70.41421	4.3
71.01412	2.8
71.05022	17.8
80.02689	3.1
81.03445	5.3
83.01380	18.3
83.05026	12.9
84.02152	4.9
85.02942	3.3
87.45190	2.3
88.59017	2.9
95.05025	30.4
97.02947	4.5
97.06580	14.8
99.04537	2.3
103.37402	2.3
104.57819	2.2
105.85337	2.0
107.05035	2.6
109.06583	7.2
111.04511	4.4
111.08166	3.1
113.06072	12.4
115.03723	2.6
119.38957	2.4
123.04499	8.4
123.08162	8.1
125.09736	20.7
127.07613	2.5
135.08153	17.7
149.09709	4.8
151.11185	2.5
153.09200	4.2
161.09663	5.3
163.11313	8.3
165.12816	5.0
167.10809	5.5
171.10220	3.7
181.12355	5.0
185.11858	20.2
189.12865	4.6
191.10765	7.0
192.08047	2.2
193.16000	2.5
195.10211	3.9
203.14436	7.6
207.10226	3.3
209.11809	100.0
209.13799	4.9
210.12102	6.6
211.13422	6.7
221.11836	4.3
237.14917	37.0
238.15222	4.1
243.17526	9.8
247.13362	8.6
249.14848	3.4
252.90144	2.4
265.14392	19.2
277.18256	3.6
278.63760	2.3
280.59900	2.6
287.16562	20.8
288.16977	4.1
305.17560	32.4
306.18015	3.5
323.18640	42.0
323.22089	4.3
324.18958	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.3
59.01151	2.8
59.01388	34.9
69.48573	4.8
69.48983	15.8
71.01372	6.5
71.05035	6.4
78.99802	2.5
80.02680	3.2
81.03455	3.1
83.05023	10.2
85.02946	39.8
87.04520	5.2
93.03484	5.9
95.01395	6.4
95.05012	8.3
96.96047	3.2
97.06596	8.4
101.02466	2.8
104.01162	2.8
106.04235	3.5
107.05023	9.6
109.02940	3.8
109.06601	35.7
110.46557	2.9
111.00884	3.5
111.04529	4.1
111.08177	3.9
119.05023	3.1
121.02914	4.9
121.06577	4.2
123.08147	6.5
125.02384	3.2
125.06100	13.2
125.09734	6.9
127.07638	6.7
133.06532	3.5
135.08191	15.5
149.09668	8.0
151.07666	5.6
151.11229	3.4
153.09229	6.3
159.48730	2.7
165.12865	3.8
167.10770	3.2
171.10239	7.7
175.11253	3.5
177.09303	4.9
179.10815	5.5
179.14502	3.0
189.12816	8.6
195.13901	17.7
197.11792	5.2
203.14417	25.2
204.14670	3.2
207.10242	5.8
207.13828	3.4
209.11864	32.9
223.13359	9.8
225.11267	5.4
231.13843	4.1
243.17535	29.8
247.13425	49.3
248.13705	4.4
250.12067	9.8
251.20049	4.3
261.18542	9.6
265.14481	38.6
277.18005	3.1
279.19778	4.0
281.64728	3.0
287.16577	39.4
288.16779	3.4
305.17545	100.0
306.17950	11.5
323.12787	3.7
323.18716	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	323.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26967	0.5
50.85958	0.6
57.03444	2.1
59.01383	29.2
60.95258	0.5
61.84743	0.6
69.63629	1.5
69.64037	1.8
71.01385	0.6
71.05007	1.5
73.28840	0.6
81.03453	1.1
83.05037	5.0
95.05035	1.8
96.95995	0.7
97.06595	9.8
99.00649	9.5
107.05038	0.7
109.06597	1.4
111.08167	10.8
112.08428	0.6
112.65797	0.5
113.02221	10.6
121.03033	0.5
121.06602	0.6
130.11806	0.5
137.09589	0.6
147.11835	1.5
149.09688	0.6
151.11308	0.6
157.01180	0.6
163.11293	3.6
165.12849	100.0
166.13177	5.9
181.12350	0.9
197.15472	55.4
198.15759	3.9
207.10341	0.7
209.11823	6.9
210.11993	0.6
227.12885	1.7
231.09998	1.3
233.11829	2.1
241.14453	32.0
242.14749	3.0
247.13185	5.6
249.11165	0.8
251.12875	1.8
257.82037	0.7
279.19672	1.1
287.16599	1.2
305.17612	6.5
306.18069	0.8
323.14807	14.2
323.18542	2.2
324.15134	1.3
327.98196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.9
57.18718	4.1
57.76686	3.2
59.01365	16.4
63.60588	3.3
66.10170	2.9
69.03431	4.1
69.23386	26.6
69.55048	3.2
71.05015	18.8
80.02666	4.2
81.03452	13.9
83.01389	20.5
83.05018	18.6
84.02146	5.1
85.33630	3.5
86.90258	3.3
93.03470	4.7
95.05026	52.0
97.02937	7.4
97.06585	21.9
99.04530	5.0
99.28033	3.4
107.05025	5.1
109.06589	13.6
111.04528	5.5
113.06079	27.0
121.02969	4.5
121.06550	5.2
123.04514	11.8
123.08150	18.5
125.06061	5.1
125.09726	35.8
126.10062	3.3
133.06607	4.0
135.08154	17.8
137.09665	3.2
139.07625	3.5
141.12918	3.0
149.09746	4.2
151.07634	10.9
152.68004	3.4
153.09198	5.8
163.11279	12.4
167.10713	4.1
171.10262	27.2
181.12325	6.4
185.11809	27.6
189.12846	5.8
191.10765	5.7
197.11723	4.9
199.09723	4.9
201.11264	8.8
203.14352	14.1
207.10211	6.0
207.13600	3.3
209.11823	100.0
210.12140	6.4
211.13353	5.7
213.11311	6.0
219.10239	5.7
221.11867	4.6
223.13458	4.3
225.11160	4.1
231.13814	4.2
231.74643	2.9
235.13374	7.0
237.14937	5.4
240.07681	3.3
243.17514	11.6
247.13536	6.7
248.43878	3.3
249.14758	6.1
259.17087	3.4
265.14417	31.2
287.16486	23.2
305.17615	43.8
323.18610	82.8
324.18890	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	0.9
68.48939	0.5
69.48518	4.1
71.01388	4.7
71.05042	0.6
73.02961	1.3
82.24634	0.5
85.02959	1.7
86.08858	0.6
87.00867	0.8
88.90163	0.6
89.02452	2.9
98.20627	1.2
99.00875	0.9
101.02449	3.3
101.06105	1.1
103.20552	0.5
113.02464	1.9
119.03511	0.9
122.35163	0.5
158.58591	0.5
161.04546	4.0
231.28178	0.6
251.62242	0.6
263.11389	3.0
323.09921	0.7
323.13608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83089	1.7
59.01371	12.9
59.86296	1.8
69.03458	5.3
69.75007	5.9
69.75411	3.3
71.01374	12.8
83.01380	4.2
85.02950	3.0
93.03453	34.3
99.00874	33.5
101.02466	3.1
108.02136	2.6
117.03445	17.0
119.05014	22.6
121.02985	3.2
123.04516	2.3
130.04237	8.2
131.05037	14.8
132.05797	10.2
133.02951	11.7
133.06592	11.7
133.61139	1.7
135.04457	4.3
137.02419	3.1
143.04968	12.4
145.02940	12.1
145.06590	25.8
145.07635	3.9
147.04510	100.0
147.08139	2.2
148.04848	3.3
149.06050	14.0
150.21156	1.9
156.05724	2.2
157.06581	13.1
158.03709	2.7
159.03055	3.9
159.04515	8.8
160.05255	12.4
161.06046	18.5
163.04022	3.7
163.07639	6.8
165.05495	2.8
169.06570	22.1
171.04478	5.7
173.04514	4.9
173.06061	23.0
175.03993	23.6
175.07582	9.9
177.05505	16.0
187.04008	5.5
187.07639	59.9
188.07973	2.0
189.05551	56.2
190.05814	2.4
191.07121	20.8
193.05103	4.0
199.07631	4.1
201.05542	31.3
202.05885	2.0
203.03485	12.7
205.05035	26.5
217.05049	5.0
219.03307	2.0
219.06609	47.9
221.04536	42.5
231.06631	6.4
235.06049	4.1
236.07957	2.5
243.06535	3.8
261.07681	7.0
263.05557	62.8
264.06039	3.8
279.08679	10.1
323.07727	27.2
323.11444	2.7
324.08041	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	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
53.23848	0.7
55.75812	0.7
59.01370	3.1
75.91403	0.6
78.95916	4.5
99.00255	0.6
121.02905	0.6
136.93417	0.7
174.38104	0.7
207.17508	1.1
223.14894	0.8
223.17052	12.8
224.17633	1.0
228.98343	0.7
233.15442	1.4
234.60732	0.8
239.16531	1.1
251.13931	0.8
251.16490	13.1
252.17036	0.9
256.16898	3.4
267.15900	1.1
284.16333	4.4
303.23242	8.1
321.24377	100.0
322.24661	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	321.1705
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03449	10.5
59.01366	12.4
59.49706	2.0
60.64857	1.7
63.79887	1.8
68.58007	1.7
69.03439	2.8
69.18717	12.1
69.19123	5.7
71.01338	1.7
71.05021	13.2
73.02914	3.6
78.95928	1.8
80.02682	2.9
81.03436	11.0
83.05016	4.9
93.03440	16.7
95.01414	2.6
95.05020	73.9
96.05312	2.3
97.06608	12.8
102.05589	1.8
107.05025	12.1
108.02184	2.7
109.02960	2.2
109.06590	25.7
111.04501	8.7
111.08088	1.9
111.42053	1.9
115.95684	1.9
121.02960	10.9
121.06591	7.9
122.03766	4.4
123.04499	5.5
123.08131	12.5
125.09722	63.1
126.09995	2.8
133.06544	1.7
134.11220	1.9
135.04482	9.1
135.08162	4.5
136.05295	3.1
137.06120	3.4
139.11211	3.5
149.06026	11.3
149.09647	3.0
151.07640	100.0
152.07921	3.9
167.07086	7.4
167.10649	2.1
169.08687	3.5
171.10281	16.8
177.12798	2.4
178.06277	3.9
182.04271	1.8
183.10146	2.1
185.11824	22.0
197.78575	2.1
205.12270	5.9
207.09978	2.0
209.11726	2.2
219.13889	3.1
220.52560	1.7
221.11804	6.0
223.09689	3.1
223.13359	7.3
235.13324	3.0
237.11320	2.7
247.13344	4.4
249.11031	2.6
263.12830	5.1
265.14438	30.6
277.17957	3.6
279.15955	4.4
285.14859	5.0
289.17947	3.4
293.17511	4.1
303.16016	18.9
321.17084	36.5
321.20654	3.0
322.17142	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.4
59.01381	81.2
71.01384	42.8
71.55000	1.3
71.55487	1.9
72.99303	4.4
82.48523	1.1
83.01411	1.3
85.02961	7.0
87.00893	1.8
89.02449	41.8
93.03445	1.4
95.01395	2.1
101.02440	29.7
111.92749	1.2
113.02448	19.5
113.09718	1.4
119.03508	18.5
131.03531	1.3
141.09198	11.5
143.99580	1.3
155.24052	1.2
159.10229	4.5
161.04633	1.3
193.75813	1.3
208.37816	1.2
279.17694	1.4
300.99936	1.3
321.15555	100.0
322.15851	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53795	0.4
53.54043	0.4
57.03427	0.5
59.01377	100.0
60.01713	0.8
61.98805	0.6
65.12636	0.4
69.23862	0.4
71.01382	5.2
73.02953	1.9
80.96540	0.7
83.01412	1.2
83.26282	0.4
85.02973	3.3
86.03315	0.4
87.00887	1.3
89.02463	0.9
95.01385	0.5
96.95979	0.5
97.02946	0.4
99.00888	0.9
101.02447	4.0
113.02445	2.0
114.79592	0.4
121.02986	0.7
129.01982	0.4
134.03758	0.7
136.11717	0.4
143.03535	0.5
147.02979	0.4
149.06042	0.5
153.05511	0.5
160.01796	0.4
161.04555	2.5
166.54329	0.4
180.16422	0.4
191.05690	0.5
193.01503	0.4
193.05096	1.3
279.14474	5.6
280.14963	0.4
321.15463	0.9
330.65649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01631	0.6
52.95712	0.5
59.01376	100.0
60.01724	0.9
70.07724	2.9
71.01382	4.0
73.02947	1.7
83.01379	0.9
84.97175	0.5
85.02962	2.5
87.02779	0.6
89.02445	0.7
96.95979	0.6
98.20556	0.9
99.00915	0.9
101.02446	3.8
104.34728	0.6
113.02453	2.2
137.35596	0.7
147.04565	1.1
161.04572	1.4
168.18747	0.7
173.04532	0.7
205.12370	1.5
247.49303	0.6
279.14523	3.6
299.04507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66886	0.5
59.01377	100.0
60.01696	0.8
69.47100	2.1
69.47508	0.9
71.01378	3.4
72.80999	0.4
73.02953	1.1
85.02966	1.5
87.00867	0.7
89.02448	1.7
98.19845	0.9
99.00887	0.5
99.84117	0.5
101.02454	3.3
101.95217	0.4
113.02463	1.7
117.36810	0.5
119.03545	0.6
120.64480	0.5
121.02952	0.6
160.01733	0.6
161.04550	1.2
173.04558	0.8
175.04021	1.5
177.92622	0.5
193.05167	0.7
261.13345	4.5
321.10193	0.8
321.15512	4.4
322.16031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01377	100.0
60.01708	1.1
69.69546	3.2
71.01374	7.0
85.02948	1.3
87.00881	0.8
89.02456	4.2
94.62974	0.5
95.20874	0.6
97.02921	0.9
101.02447	3.6
107.05028	1.3
109.02926	0.8
109.06615	0.7
111.04523	1.4
113.02444	2.5
113.09718	7.0
114.97346	0.6
119.03507	2.5
121.06538	0.6
122.03767	1.1
123.04533	0.9
124.05269	1.7
127.95135	0.5
133.06598	7.3
137.06117	1.3
139.07637	15.0
141.09212	1.6
149.06088	1.9
157.10312	0.7
159.10260	19.8
160.10545	0.8
169.08675	2.3
181.08667	5.5
185.09691	0.6
187.11276	1.5
199.11299	0.9
201.11436	1.1
202.10071	0.9
205.12355	2.3
210.09006	4.9
211.09705	2.0
217.12378	1.0
235.13316	1.4
261.11188	0.8
321.15527	36.5
322.15973	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42444	0.6
52.46137	0.5
59.01381	100.0
60.01718	1.2
71.01407	2.8
71.55920	0.8
89.02459	4.1
101.02471	1.6
105.00332	0.6
110.29730	0.5
113.02460	0.9
119.03528	1.4
130.06625	0.5
136.07703	1.1
148.65805	0.7
166.28326	0.7
179.05626	1.0
321.04160	1.0
321.10983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01376	100.0
59.20881	0.9
60.01725	1.2
61.98808	1.4
69.03443	1.9
71.01378	21.5
71.14970	2.1
73.02946	21.5
77.16867	1.0
83.01368	5.9
85.02943	3.5
89.02457	4.8
90.07839	1.0
91.95145	1.1
93.03460	7.2
97.02945	1.0
99.08160	1.5
101.01793	1.4
101.02441	19.3
113.02446	8.0
119.03528	2.4
121.02916	1.5
130.93071	1.2
137.02493	1.0
145.08688	9.3
155.03531	1.3
161.04585	2.5
173.04533	29.5
173.06042	1.5
174.04929	2.1
319.14032	9.4
320.14304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15400	1.2
57.44128	1.0
57.75921	1.0
59.01376	100.0
61.98826	3.5
67.01883	1.2
71.01379	24.3
71.54922	1.0
71.55315	1.6
72.99308	2.3
73.02940	22.1
83.01382	4.7
85.02933	4.0
87.00882	1.8
88.27486	1.2
89.02441	7.0
91.68360	1.1
93.03453	9.0
94.96433	1.2
99.08171	2.4
101.02436	15.9
111.00967	1.6
111.04504	2.6
113.02425	8.0
113.86230	1.1
117.03476	1.1
119.39919	1.2
131.03471	1.4
133.39624	1.1
137.02408	1.8
145.08688	7.5
155.03514	2.8
161.04478	1.9
173.04536	27.1
203.93808	1.6
273.97360	1.1
319.13919	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	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16052	0.7
58.02972	5.8
59.01374	13.4
69.29793	1.7
69.30196	5.6
72.00902	5.0
82.06611	1.9
89.70796	0.6
91.05531	10.5
91.14229	0.6
93.34988	0.7
103.13778	0.6
112.07710	1.8
118.06609	3.1
126.09277	0.9
129.10335	63.0
130.10681	1.8
135.97302	0.8
137.34541	0.7
147.04523	23.0
153.10309	3.1
154.08713	11.7
164.07150	58.2
165.07462	2.4
171.11378	47.6
172.11720	1.1
193.07910	0.7
199.39670	0.7
216.13911	0.8
231.14836	0.8
233.16554	30.5
234.16801	1.9
234.53883	0.7
275.17578	4.7
276.81976	0.7
277.15405	1.5
319.16583	100.0
320.16882	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.9
63.43277	1.6
67.45851	1.7
70.41051	4.5
71.01385	4.2
71.05030	5.9
86.58810	1.9
97.02951	5.6
97.06593	5.2
99.00876	30.7
123.08228	3.2
125.09723	7.7
127.11362	2.0
142.02811	1.7
152.38173	2.0
155.14351	2.2
163.11288	19.5
164.11632	1.9
181.12328	49.0
182.12695	2.9
188.40817	1.9
197.11829	3.9
199.13385	42.0
207.10251	44.7
208.10483	3.7
209.11916	2.0
212.67888	1.6
225.11295	90.6
226.11674	7.8
227.12875	13.1
243.12346	100.0
244.12766	6.5
317.16116	89.6
317.19763	19.1
318.16403	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	318.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28729	1.3
57.03445	1.5
59.01389	8.6
61.98829	100.0
70.42578	1.4
71.56334	2.5
129.86357	1.4
241.34100	1.5
266.69312	2.1
297.14917	2.1
319.15375	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
57.34937	0.8
57.93095	1.0
59.01370	6.5
69.26697	7.5
69.27103	1.9
71.01389	2.4
71.05017	6.0
72.99341	0.9
83.04998	1.6
89.02415	1.2
91.04007	2.6
94.68804	1.0
96.17491	0.9
97.02946	6.0
97.06580	3.6
99.00875	32.5
109.06548	2.1
109.72405	0.9
110.03732	1.3
123.08135	2.6
124.65137	0.8
125.09704	13.1
127.11269	2.2
136.05276	1.1
137.32701	1.0
142.02661	1.8
153.12823	2.5
155.14412	2.5
156.76312	1.0
163.11282	20.0
163.12564	1.8
164.11687	1.8
181.12334	52.4
182.12662	2.4
197.11794	1.4
199.13393	38.4
200.13734	2.1
207.10233	56.9
208.10548	2.5
209.11838	3.4
221.55934	1.0
225.11305	100.0
226.11673	5.5
227.12912	2.1
243.12347	98.2
244.12723	7.7
260.97314	0.9
273.12445	2.7
280.19073	1.0
314.38452	1.1
317.16022	97.6
318.16452	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	316.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03452	0.5
54.57997	0.5
58.86287	0.5
61.73236	0.5
69.49350	2.8
74.02469	1.4
80.02686	1.0
81.03439	0.6
83.05043	4.9
84.02165	2.1
88.04037	34.4
89.04395	0.6
95.34435	0.5
98.19825	0.5
98.41556	0.5
101.63107	0.5
107.78590	0.5
135.08086	0.5
163.11269	3.1
165.12924	2.5
166.44774	0.5
173.87325	0.5
181.12383	0.7
191.10725	1.1
195.64662	0.6
204.75496	0.5
209.11813	100.0
210.12146	5.5
227.12875	48.6
228.13232	2.6
239.13922	0.8
316.17542	0.9
317.11813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	5.6
59.01387	5.3
71.01385	1.5
71.47752	1.0
71.55080	1.7
72.04531	1.4
74.02477	94.6
83.05013	1.3
84.04556	1.4
84.08188	1.5
85.02944	7.8
86.02483	2.0
87.02745	2.0
88.04046	3.9
89.04390	1.7
93.03442	1.1
99.05643	9.7
100.00404	3.0
100.04053	1.6
101.02372	1.1
110.06135	11.9
113.02434	1.8
125.03598	1.7
125.07207	7.4
129.07442	2.7
130.03781	1.4
130.08740	2.5
138.12880	1.5
139.07710	3.1
141.10350	10.7
143.04628	18.9
144.99757	1.4
148.04088	1.2
150.05602	1.5
164.10757	2.6
166.12332	1.8
173.06406	3.1
177.03401	5.5
185.09312	97.1
186.09657	5.3
195.15033	7.5
198.09634	3.4
209.11894	3.5
210.12204	8.0
228.13226	5.2
239.14015	100.0
240.14363	8.2
269.11588	1.2
273.12692	7.0
273.37708	1.3
317.11765	87.5
318.12076	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	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01366	4.3
63.46801	0.9
69.03452	2.7
69.32557	7.1
71.05019	3.3
87.00858	8.6
91.03990	1.5
103.00377	2.8
125.09731	2.8
151.11250	1.7
153.12825	1.2
161.09669	3.6
179.10762	13.8
197.11824	100.0
198.12155	6.0
223.09662	1.5
235.13364	1.6
241.10799	17.0
242.11140	1.3
273.17059	2.8
299.34558	0.9
311.16568	1.0
315.14465	45.9
316.14923	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	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
57.92486	0.8
59.01371	2.5
59.75169	0.8
69.03440	2.6
69.41498	1.7
69.41903	4.8
71.01372	2.0
71.05020	3.0
73.77540	0.8
80.74682	0.8
84.07481	0.9
87.00882	3.0
91.04024	2.0
103.00385	1.0
107.44827	0.7
111.59064	0.8
118.05834	0.8
125.09706	2.9
151.11287	2.5
153.12791	1.5
161.09705	3.3
176.87305	0.8
179.10747	13.0
180.11073	0.9
197.11818	100.0
198.12114	5.6
223.09688	1.7
235.49052	0.9
241.10811	18.1
242.11090	1.1
255.08920	0.9
305.91861	0.9
315.14468	54.0
316.14871	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	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01387	0.5
61.45008	0.3
69.63786	0.8
69.64215	1.1
71.75570	0.3
79.26898	0.3
93.03455	0.3
95.01417	0.3
95.05051	0.6
98.19898	0.6
108.02189	0.6
109.02951	3.9
113.00002	0.3
122.03725	0.8
123.04519	69.5
124.04834	2.5
152.01093	0.4
153.02118	2.2
153.05568	100.0
154.05896	3.6
236.25069	0.3
271.98993	0.3
315.07220	1.7
315.10864	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	315.1446
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
55.13476	0.6
59.01369	2.0
65.03949	1.2
71.05042	1.0
71.55634	0.9
80.02637	0.8
81.03455	6.6
81.90852	0.6
83.05027	4.5
84.02168	1.3
87.00873	100.0
88.01191	1.0
95.05032	0.9
97.06573	1.0
105.69975	0.6
108.02219	0.7
109.06618	1.0
122.06127	1.2
125.02435	0.7
125.09743	3.6
127.11288	1.7
150.05602	1.7
152.07170	1.5
163.11264	2.9
165.12822	1.8
171.10287	5.5
181.12422	0.8
181.15868	1.0
191.10799	0.7
191.14354	0.8
199.13385	2.7
209.11812	59.7
209.15262	1.5
210.12134	3.7
217.12267	1.1
219.94228	0.7
223.13411	2.2
225.14963	8.2
227.12848	4.6
233.11998	0.8
235.13342	8.0
243.15984	11.6
244.16461	1.1
251.12787	0.9
253.14476	2.3
271.11911	1.9
271.15457	5.1
297.13354	7.7
298.13956	0.7
315.14456	83.4
316.14810	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.71629	0.5
57.30023	0.5
59.01388	0.9
60.44036	0.5
61.85548	0.6
64.14046	0.5
64.87040	0.5
69.65622	2.3
69.66026	1.2
71.01373	2.8
73.02953	0.6
81.03486	0.8
85.02943	2.3
93.03336	0.6
95.01392	1.7
98.19880	0.8
101.02431	1.3
101.22527	0.6
108.02169	100.0
108.50044	0.5
109.02965	37.0
110.03278	1.4
113.02449	1.0
121.02940	1.1
123.00881	1.2
123.04510	2.4
136.65681	0.6
147.81583	0.5
151.04002	1.9
152.01143	72.0
153.01935	32.1
153.05540	2.5
154.02263	0.7
163.03987	1.6
165.01878	1.8
218.16592	0.6
225.03996	1.1
315.07190	92.6
316.07495	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13004	0.5
59.01376	100.0
60.01719	0.8
65.10953	0.6
71.01380	11.5
71.55157	0.9
73.02935	3.8
83.01376	1.3
85.02950	4.6
86.11431	0.7
87.00899	0.7
89.02466	1.9
93.03453	17.0
93.04015	1.0
99.00877	2.5
101.02441	5.2
108.02192	1.7
113.02444	4.6
114.05602	1.0
118.98093	2.7
123.00878	0.6
123.04530	0.6
124.12315	0.6
132.68315	0.5
134.16365	0.6
152.01097	0.7
153.00693	2.0
153.01851	0.9
159.02995	1.4
161.04536	19.5
169.09883	0.7
253.12032	0.7
255.08731	0.9
315.07291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.81021	3.0
71.01385	1.8
71.56936	0.6
76.21104	0.8
81.03453	0.7
85.02966	2.6
95.01410	1.4
96.68507	0.5
98.19955	0.9
98.48508	0.6
101.02422	0.8
108.02173	100.0
109.02981	29.1
110.03304	1.3
110.58783	0.5
112.75829	0.6
113.02415	0.8
121.02989	0.7
123.00896	1.0
123.04552	0.9
146.10834	0.6
151.04062	1.7
152.01152	67.1
153.01949	26.7
154.02315	0.9
163.04031	1.0
165.01930	2.1
225.03990	0.7
315.07214	82.5
316.07559	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	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05895	0.5
58.00591	2.1
59.01375	2.7
67.29009	0.6
69.81340	2.9
78.04710	0.6
89.02452	0.7
97.06610	0.7
98.20578	0.6
99.08157	14.9
101.02428	1.0
121.03041	0.6
127.07655	2.5
129.09215	19.7
129.10178	1.0
130.09538	0.7
171.10313	1.5
172.10590	1.9
172.92891	0.6
173.10757	1.3
183.13879	35.7
184.14270	2.3
188.96454	0.8
195.13828	2.8
220.33958	0.7
253.09261	2.3
264.72006	0.7
277.21765	2.7
295.22684	9.8
296.23090	0.9
296.42770	0.6
313.23779	100.0
314.24158	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	313.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12179	29.8
59.01392	67.0
60.84980	28.1
71.18694	61.5
82.22205	27.2
89.02415	42.5
95.01226	25.1
99.00791	33.8
112.98801	60.0
119.04892	29.6
122.91359	33.4
142.09737	26.6
185.00853	29.5
240.05205	27.7
253.09189	100.0
308.83966	35.2
313.16870	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01162	0.3
59.01388	4.5
69.03464	1.3
71.01385	2.3
81.03448	0.8
83.05033	7.6
85.02950	5.5
89.02450	1.4
92.16464	0.5
93.03449	1.1
95.05009	0.8
97.02925	0.8
97.06581	1.1
98.20672	0.8
101.02465	0.6
106.58406	0.4
113.02458	0.6
123.08147	0.7
125.09735	1.5
127.11296	1.8
132.37915	0.5
133.02963	0.5
135.04550	2.5
141.09212	0.6
146.60594	0.4
155.14403	0.9
163.46384	0.4
165.12877	0.7
167.14432	1.4
171.10275	9.9
172.10632	0.5
173.04529	0.7
176.03981	1.2
177.12799	1.4
179.03500	3.2
181.12254	0.5
183.13908	4.5
184.14374	0.5
185.11789	1.2
191.05615	0.8
193.12367	1.2
194.79282	0.5
195.46904	0.5
197.11890	0.7
209.11844	2.2
211.13393	25.8
212.13715	1.6
221.11768	3.4
229.14424	15.5
230.14790	1.2
239.12877	1.5
253.09207	3.2
269.04843	0.6
277.18060	2.8
295.19119	0.6
313.20206	100.0
314.20535	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	313.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78221	0.7
57.15106	0.8
59.01381	8.8
60.45565	0.7
61.98830	6.3
71.01382	1.9
75.00895	0.8
89.02451	1.9
91.04020	0.8
97.06583	1.6
98.19839	1.3
100.51418	0.7
101.02448	2.5
113.02467	1.0
121.02947	8.4
159.11789	1.8
161.04506	0.9
175.11258	1.0
177.12839	25.3
178.13124	1.9
195.13892	100.0
196.14275	6.4
203.10776	2.1
221.11809	11.6
225.05586	0.8
229.06201	1.0
239.12880	23.6
240.13342	1.8
250.11426	4.3
253.09290	7.7
305.41586	0.8
313.06961	1.6
313.16586	43.5
314.17072	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	313.0927
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
53.63865	1.1
58.00587	3.2
59.01376	100.0
59.27848	1.1
63.60104	1.1
65.71849	1.1
66.95380	1.2
71.01379	61.6
72.99298	4.7
73.02931	2.7
75.00874	1.1
83.01385	3.0
85.02946	11.7
87.00871	3.4
88.04016	2.5
89.02440	67.4
95.01396	4.4
99.00912	1.9
101.02441	36.3
107.05022	16.7
113.02447	25.7
114.05590	1.9
119.03497	29.8
123.04540	1.5
125.02403	1.3
131.03564	2.3
143.03500	3.0
149.04559	2.5
150.06885	1.3
151.04004	8.4
161.04562	7.4
173.04431	1.5
179.05569	4.0
189.29097	1.1
191.05693	1.2
253.09239	11.1
277.12259	2.2
313.09192	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	313.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
58.00579	2.8
59.01376	58.1
60.01717	1.7
61.98814	2.7
69.95757	2.0
69.96169	5.7
71.01387	29.9
72.99320	3.0
73.02937	4.6
75.00860	2.5
83.01372	3.4
85.02945	6.4
85.03410	1.4
87.00877	2.7
89.02437	24.8
95.01401	1.6
101.02442	27.9
113.02428	11.9
115.00340	2.6
119.03496	7.8
127.02462	1.5
129.00414	3.8
139.02461	2.6
151.06061	4.6
159.01498	3.9
161.04529	10.3
167.02106	1.5
171.01474	4.2
172.97624	1.6
179.05585	7.4
183.01462	3.8
214.98763	3.1
223.06168	2.8
252.98384	5.8
253.09276	100.0
254.09576	3.0
255.98355	1.6
266.93079	1.5
313.11389	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	313.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.1
58.00566	2.3
59.01377	65.5
71.01382	37.8
71.54169	2.9
72.99310	5.8
73.02942	6.6
75.00869	7.4
83.01397	3.7
85.02955	6.1
87.00874	6.9
87.04524	2.3
89.02444	34.5
100.96075	1.7
101.02443	31.0
107.05029	2.0
113.02443	10.9
119.03510	8.9
131.03535	1.7
133.05070	62.5
143.03459	1.9
151.04138	2.0
151.06133	4.0
161.04515	13.3
167.55830	2.0
179.05592	6.0
187.56917	1.6
212.69179	2.1
253.09270	100.0
254.09575	4.8
313.11472	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	313.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
58.64579	0.6
59.01376	8.7
61.98815	0.9
71.01385	2.1
71.10850	1.0
83.05031	0.9
89.02433	1.8
90.39512	0.5
91.04005	1.7
97.06580	1.6
99.64344	0.5
101.02432	1.1
106.04255	1.0
121.02972	5.8
141.66483	0.5
159.11841	0.9
175.11284	0.7
177.12833	25.0
178.13203	1.5
195.13887	100.0
196.14227	5.3
203.10728	2.0
221.11815	10.8
222.12102	0.6
225.05640	0.7
239.12875	24.9
240.13190	1.9
253.09285	6.2
313.16547	42.4
314.16779	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25675	1.3
57.83837	1.1
59.01361	3.5
71.04999	1.4
73.38939	1.1
74.68054	1.1
99.08157	3.5
113.09711	2.7
119.88409	1.4
129.09229	5.3
130.20712	1.3
134.11964	1.1
139.11263	2.1
141.09100	1.4
151.11180	1.3
151.46936	1.3
161.47488	1.1
169.12286	1.5
171.10262	6.2
181.12352	3.5
183.13898	3.5
197.11778	9.1
199.13374	4.7
211.13388	17.0
293.21176	19.9
294.21536	2.4
303.01135	1.1
311.22256	100.0
312.22543	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03432	1.3
59.01373	13.5
62.86880	0.9
67.01874	1.1
71.01373	2.7
71.05002	1.1
91.51116	1.0
97.06599	1.0
113.09749	1.2
121.10235	3.1
122.10590	2.2
125.09699	2.8
126.10036	1.6
141.12843	1.8
151.60553	1.0
163.84808	1.0
171.10268	29.3
172.10596	2.7
183.10240	2.2
185.11763	1.3
186.12119	1.5
187.12346	2.2
195.13838	1.2
197.11845	2.1
198.12218	1.1
211.13449	9.1
212.13701	10.0
213.13942	15.2
253.17125	2.8
263.20114	2.4
275.20117	5.3
291.19601	4.2
293.20502	48.3
294.21008	2.4
311.22229	100.0
312.22653	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	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
54.17082	0.3
59.01363	1.2
61.48363	0.2
69.19229	2.5
71.01395	0.3
77.03983	0.3
85.13115	0.3
89.02454	0.6
93.03463	0.5
121.02961	100.0
122.03304	3.5
180.05838	1.0
181.06595	3.6
225.05591	6.1
226.05859	0.4
253.09290	1.5
269.08282	0.5
313.07169	18.3
314.04251	0.3
314.07425	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27308	0.6
51.81951	0.5
56.91078	0.5
57.03419	0.7
59.01368	3.4
66.34613	0.6
71.56076	0.6
72.43651	0.7
79.21429	0.5
79.69587	0.5
81.03456	0.6
86.66457	0.5
92.69163	0.5
97.06580	1.1
98.71465	0.6
101.52518	0.5
111.85227	0.5
123.08185	0.6
124.97213	0.6
125.06065	0.7
125.09740	4.2
139.11278	1.3
141.09232	2.6
141.12833	1.5
151.07631	0.6
153.09192	1.2
155.14439	2.6
157.12320	1.0
171.10237	1.5
200.10516	3.0
221.01408	0.6
226.46181	0.5
230.74309	0.6
239.23914	0.6
239.44348	0.5
241.28467	0.5
249.22134	2.2
265.21661	1.2
267.23172	1.1
275.20050	1.5
292.99228	0.7
293.21164	8.3
294.21683	0.8
311.22250	100.0
312.22614	10.5
332.34125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
59.01384	2.2
60.21908	0.7
70.83372	2.0
74.79803	0.9
75.27840	0.8
99.08181	1.8
100.94458	0.9
113.09737	1.8
125.09750	2.2
127.11258	3.1
129.09213	5.3
138.66513	0.8
139.11292	6.5
151.11252	1.0
155.10754	1.0
169.12320	2.8
171.10277	27.0
181.12329	4.4
183.10301	2.0
183.13908	1.9
184.53946	0.8
185.11839	3.7
187.90924	1.0
193.12309	1.0
197.11798	5.5
199.13380	3.8
201.11340	5.3
211.13399	13.0
249.22192	1.2
249.48541	0.8
275.20227	2.7
292.44595	0.9
293.21204	13.8
294.21622	1.6
298.32031	0.9
311.22287	100.0
312.22549	9.9
323.70718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55030	0.5
59.01383	0.9
69.30071	4.2
97.06602	1.1
98.20681	1.0
118.82118	0.5
123.08159	0.6
125.09705	3.4
139.11292	1.6
141.09206	2.0
141.12856	1.1
143.10794	0.7
153.09203	1.3
155.10741	0.6
155.14380	1.5
157.12306	0.6
167.10695	0.5
169.12289	0.6
171.10228	2.0
200.10564	2.5
231.82671	0.4
242.18996	0.4
249.22205	2.1
265.21744	1.0
267.23367	0.9
275.20175	1.0
293.21219	7.5
294.21622	0.7
299.12213	0.5
311.22247	100.0
312.22617	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57083	0.7
57.03462	0.8
59.01355	0.8
69.79942	3.5
72.22570	0.7
83.05011	0.8
97.93491	0.6
99.08141	1.8
102.66867	0.6
113.09729	2.0
119.04985	1.1
121.10193	0.7
122.19246	0.7
125.09762	1.2
129.09235	1.2
135.04565	1.3
136.08923	0.7
139.11270	1.7
154.09946	1.3
165.12730	0.8
171.10255	5.7
177.12827	2.3
181.12312	0.9
183.13834	0.8
184.37743	0.7
193.12360	4.6
195.13884	2.6
196.14622	0.9
197.11755	1.9
211.13364	6.2
249.22160	2.9
288.35913	0.7
293.21204	54.6
294.21475	4.7
311.16403	5.4
311.22244	100.0
312.22565	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	311.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37043	0.3
69.03452	1.4
69.79779	1.2
69.80186	0.5
79.05518	0.9
91.05511	1.1
93.03445	0.7
93.07092	0.6
95.05016	6.1
98.19965	0.5
106.04232	2.7
108.02151	1.7
109.02946	2.8
111.04508	1.4
112.47420	0.3
119.05015	6.5
120.35394	0.3
121.02948	11.6
122.03741	7.5
123.04523	2.5
132.05801	5.0
133.06589	11.9
135.04514	9.6
136.04805	0.4
137.06091	2.4
138.03223	0.6
145.06575	0.6
154.80434	0.3
161.09706	4.4
164.04762	2.3
187.11266	17.5
188.11594	1.3
189.12808	6.6
190.13182	0.5
211.11238	0.7
213.09427	0.3
242.09441	0.4
260.83319	0.4
267.17456	1.1
269.15363	1.7
292.26535	0.3
311.16492	100.0
311.22290	4.1
312.13184	0.5
312.16830	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76440	0.6
57.03434	2.0
59.01381	4.0
65.74977	0.6
67.94161	0.6
71.18497	1.5
75.33952	0.5
83.05045	0.7
99.08145	2.0
101.04961	0.6
108.91106	0.5
113.09718	2.9
121.10220	1.4
123.08169	0.7
125.09719	2.3
127.11241	3.2
127.14373	0.6
129.09241	3.8
139.11292	9.6
153.09142	0.6
155.10788	1.3
161.74721	0.7
163.11246	0.8
169.12320	1.1
171.10249	33.6
172.10591	1.3
181.12306	2.3
183.10277	2.2
183.13931	1.6
185.11842	4.4
195.13922	0.9
197.11844	3.1
199.13301	1.5
201.11305	4.7
211.13364	9.4
212.13664	0.8
213.14891	0.9
249.22169	1.4
275.20197	2.6
293.21182	23.4
294.21436	1.4
311.22235	100.0
312.22641	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16274	0.4
70.44882	0.4
79.57362	0.5
113.09723	0.8
115.07621	1.0
127.07656	0.7
128.08391	1.0
167.14424	3.3
183.13913	3.3
186.25999	0.4
195.13899	9.9
196.14156	0.6
211.13354	0.8
213.14999	1.2
239.23795	0.5
242.15211	1.0
249.21930	0.4
265.21814	0.5
267.23190	0.5
275.20181	0.7
293.21179	7.4
311.22263	100.0
312.22598	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70321	0.6
59.01378	100.0
60.01719	0.9
66.27618	0.5
69.47028	4.0
71.01393	1.9
73.02950	1.1
85.02943	0.9
93.03464	1.1
101.02438	2.0
113.02471	0.8
119.76109	0.6
137.02473	2.7
141.38705	0.6
161.04547	1.6
173.04614	0.6
251.11380	2.7
270.43436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.8
57.71845	2.2
59.01381	30.7
61.98812	5.3
65.03956	2.8
67.01883	17.3
68.99818	6.5
69.03461	3.3
70.55476	2.2
71.01380	5.7
71.04990	2.8
73.02950	3.4
80.02672	2.5
81.03458	95.8
81.03941	5.2
83.05022	5.9
93.03454	2.8
95.01380	11.8
95.05012	3.8
97.06584	6.9
101.02438	3.6
106.04232	2.7
107.05045	7.5
109.06579	4.5
111.08179	3.8
117.42960	2.2
120.05790	3.4
121.06605	4.2
123.08179	3.4
125.09732	5.8
133.10222	4.5
135.08101	2.7
152.04774	5.8
161.98381	2.2
171.10287	3.1
171.11736	2.4
172.43060	2.3
173.13335	12.4
189.12848	22.2
191.14450	10.7
199.11346	3.1
203.14445	2.7
205.15955	14.3
206.11932	2.8
207.12160	7.6
211.13402	8.4
217.12332	59.7
221.11517	3.2
221.15468	4.2
224.12399	2.9
229.14436	42.4
231.13828	16.0
231.15829	4.0
233.11636	5.2
235.13463	3.2
249.11107	5.1
249.14951	100.0
250.15323	8.1
251.12883	31.5
283.05945	3.0
288.63455	2.7
293.02975	2.7
307.21088	2.6
311.05316	3.0
311.17123	20.4
311.22369	5.1
311.29459	3.1
312.17633	3.2
316.14285	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	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49986	0.4
55.01862	0.6
55.06108	0.3
57.03449	0.7
58.18866	0.3
59.01376	100.0
60.01720	1.2
65.58235	0.3
65.79211	0.4
67.01870	0.7
69.47247	1.5
69.47667	1.1
71.01380	5.7
72.99310	0.8
73.02934	2.0
83.01409	1.4
85.02946	3.0
87.00876	0.4
89.21132	0.3
90.07510	0.3
93.03452	13.2
99.00883	0.6
101.02437	4.0
105.34486	0.4
108.34422	0.4
111.04500	0.5
111.64417	0.4
113.02441	2.4
114.05621	1.3
135.04488	0.3
137.02434	24.4
138.02789	0.8
148.47218	0.3
155.03494	0.8
159.03009	0.6
161.04510	2.9
173.04521	10.9
191.05542	0.5
197.11868	0.6
209.11801	0.4
269.10269	3.4
285.04095	0.8
294.20782	0.9
311.05753	1.0
311.10648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13852	0.5
53.58759	0.6
55.01864	0.7
55.26900	0.5
55.27573	0.5
57.96922	0.5
59.01378	100.0
60.01719	0.8
69.94899	0.5
71.01373	6.3
73.02940	2.0
82.91714	0.6
85.02917	2.9
89.02431	1.4
93.03471	1.1
99.00866	0.8
101.02444	3.8
113.02472	1.8
137.02467	2.0
159.02972	0.5
161.04510	3.1
173.04544	0.7
189.99474	0.6
191.87517	0.6
199.82970	0.6
204.28877	0.6
208.38243	0.5
269.10312	2.8
299.04370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
56.17098	0.6
59.01381	100.0
61.12791	0.7
71.01385	8.8
71.20665	1.5
73.02950	3.7
83.01391	0.9
85.02946	3.9
85.76376	0.7
89.02450	2.2
93.03490	1.1
99.00883	1.2
101.02454	9.0
108.31437	0.7
113.02439	4.0
134.04752	2.5
142.60637	0.7
143.03502	1.0
152.91792	2.4
159.03018	1.2
161.04564	10.0
173.04506	1.1
209.62117	0.9
232.11830	0.7
251.11356	24.8
252.11755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84931	0.4
54.18924	0.4
55.88187	0.4
57.03434	1.1
58.90192	0.4
59.01376	6.9
60.51737	0.4
60.99302	0.6
67.01886	5.1
69.03451	1.0
69.71453	1.0
69.71867	1.5
71.01375	3.8
74.05444	0.5
75.00872	0.9
81.03471	0.9
83.01413	0.6
83.05024	1.2
85.02953	1.2
87.00864	0.5
89.02438	0.8
93.03458	36.9
94.03807	1.2
96.96001	0.4
98.20651	0.5
101.02467	0.9
109.02937	0.9
111.00885	0.9
111.04509	3.9
119.04987	0.4
131.41722	0.4
137.02444	25.8
138.02798	0.9
148.03586	0.4
155.03467	4.7
161.04388	0.9
163.04076	1.1
166.67767	0.4
166.69237	0.4
173.04539	100.0
174.04890	3.8
191.05609	0.7
229.15561	1.2
244.82782	0.4
285.03943	0.8
285.53137	0.5
311.07452	4.8
311.29495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05630	0.7
56.79942	0.5
59.01376	33.5
60.01743	0.7
70.10722	1.8
71.01378	10.3
80.61646	0.6
85.02934	1.1
89.01922	1.2
89.02441	13.3
101.02447	4.0
105.01875	0.6
105.54214	0.6
113.02431	3.2
119.03479	3.2
130.08730	100.0
131.09102	3.3
136.94017	0.8
143.03467	1.4
161.04529	1.8
173.04559	1.3
179.05577	4.2
180.05930	0.7
250.02386	1.2
251.11320	2.3
310.12253	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	310.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.2
59.01153	2.6
59.01383	31.2
64.49378	3.0
70.41641	3.1
70.67776	3.4
70.68105	6.5
73.02968	3.5
74.95836	2.8
83.01383	3.7
85.02981	3.1
91.94885	2.6
107.91563	2.5
125.09700	8.0
139.11249	4.2
139.48697	3.1
140.11589	3.4
147.88721	2.7
155.10692	3.2
166.13297	3.9
171.10271	8.2
172.10530	3.3
183.01205	7.1
185.11990	3.8
186.12190	4.3
197.11835	5.2
197.79926	2.8
198.12148	7.6
201.10988	3.2
209.11789	9.1
210.12152	14.4
210.15709	3.5
211.13248	3.8
212.13754	4.4
248.21011	8.8
251.11357	4.2
274.18915	3.6
276.07504	2.6
292.19977	62.5
293.20987	8.6
310.15601	6.3
310.17401	5.4
310.21030	100.0
310.24533	6.2
311.16858	38.4
311.22272	78.3
311.29630	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88251	0.4
57.03439	0.9
57.98587	0.4
59.01377	6.3
71.01386	1.3
71.55445	0.4
77.87161	0.4
83.05034	0.5
85.02947	0.7
87.00866	2.5
93.03454	48.9
94.03795	1.8
96.96016	0.6
122.06076	0.5
137.02440	100.0
138.02771	3.6
149.02429	0.9
155.03569	0.6
173.04564	5.5
224.30193	0.4
251.11372	0.6
285.04074	0.7
311.15067	1.2
311.22211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01367	4.5
69.03465	2.5
71.05008	5.2
81.03432	1.5
83.05011	2.1
92.91302	1.2
97.02969	2.0
97.06590	4.0
111.08171	3.4
119.08678	2.4
121.06557	1.1
137.09740	3.4
151.11287	4.0
153.09229	1.4
165.12764	1.2
169.12291	2.5
171.10297	9.6
177.12766	1.3
183.37335	1.1
185.11774	2.0
193.12297	1.3
197.11829	11.0
211.13348	3.9
221.15352	1.3
223.13463	1.2
227.12993	1.4
229.19705	2.4
233.15434	1.5
237.14911	1.9
247.20570	2.9
251.16544	21.5
261.18454	1.2
273.18576	6.1
291.19662	40.7
292.19971	2.0
309.20712	100.0
310.21033	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52565	1.7
57.03434	7.4
59.01365	7.5
69.03444	3.5
69.19965	21.0
69.55058	2.0
71.01376	3.0
71.68591	1.9
83.05013	2.7
95.05003	2.2
97.06577	3.9
99.08070	2.0
111.08168	4.8
113.09724	5.3
115.07652	3.9
125.09673	2.2
151.11247	15.6
163.11275	2.9
165.12828	16.6
167.10777	2.3
167.14432	2.0
169.19801	1.9
171.10323	4.5
179.10799	3.6
181.12302	19.4
191.10760	8.2
197.11790	11.3
209.11810	40.1
210.12338	2.5
211.13341	9.4
247.20609	9.5
265.21597	7.6
273.18665	3.9
281.21234	3.2
291.19635	41.5
292.20004	2.2
309.15265	3.8
309.20685	100.0
310.21005	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
59.01368	3.1
61.38676	1.6
70.40732	1.6
70.41067	5.5
71.05019	2.8
80.02671	5.6
81.03461	4.0
83.05026	16.3
84.02175	9.0
85.48378	1.6
97.06597	3.7
99.08150	4.6
109.06609	3.1
111.08163	3.3
114.47359	1.7
115.07634	2.0
123.04498	2.0
125.09723	3.5
127.11293	4.9
137.09718	37.7
139.11287	6.9
151.11258	4.2
153.09193	7.1
155.10771	38.5
167.10738	4.5
171.10262	39.6
193.12331	18.8
194.12666	1.6
197.11775	4.7
209.11815	3.4
211.13332	3.2
237.19698	1.7
247.20651	7.5
263.20132	5.1
265.21689	53.1
266.22040	6.3
273.18646	2.0
273.73724	1.6
291.19632	81.9
292.19806	7.6
309.15164	3.7
309.20688	100.0
310.21103	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38026	0.9
69.03445	3.9
71.01711	1.3
71.02043	2.0
74.33742	0.9
83.05028	1.8
85.02929	1.7
97.02952	27.0
109.06544	0.9
111.08168	1.6
119.08641	3.8
121.10248	1.5
125.09677	2.7
137.09726	13.4
137.11293	1.1
141.80693	1.1
151.07664	1.6
152.08459	2.0
163.11285	2.0
165.12816	2.9
167.10782	1.8
171.10266	26.8
179.14365	1.4
185.11792	2.6
193.15852	1.2
195.13831	1.4
197.11794	4.2
209.11766	1.2
209.15495	1.9
211.13364	1.6
221.11810	4.0
223.13283	1.2
239.12848	3.3
247.20576	4.2
273.18564	3.7
291.19656	53.2
292.19962	2.9
309.17255	6.2
309.20670	100.0
310.21039	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32074	0.8
55.08354	0.8
59.01360	1.2
70.06157	3.0
97.06553	1.2
111.08183	1.3
121.10245	9.1
125.09706	7.9
137.09706	4.1
141.12805	1.0
167.14503	1.2
171.10233	6.4
179.58041	0.9
185.11819	9.7
185.33144	0.9
195.13884	1.5
197.11787	2.5
211.13379	65.5
212.13689	3.3
221.11893	1.2
223.13321	1.2
247.20656	1.4
264.34341	0.9
273.18689	1.0
280.17349	0.9
291.19638	100.0
292.19974	7.8
309.20740	7.7
315.04312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.5
58.00587	1.7
59.01372	1.4
69.03448	1.7
71.00681	2.6
77.89170	0.9
109.06588	2.1
111.08167	24.1
125.53860	0.9
127.07618	2.4
151.11191	1.3
153.12894	1.8
166.09793	1.1
169.12335	6.2
172.61736	1.1
181.12331	3.1
183.13895	2.0
197.11833	100.0
198.12157	5.0
199.13448	3.3
200.51791	1.0
211.13373	11.3
227.12874	2.7
263.20105	7.5
265.18060	2.4
273.18658	2.0
291.19644	17.9
292.20013	2.6
309.20712	38.9
310.21115	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80557	0.4
51.52896	0.4
69.50090	0.5
70.77785	1.1
74.07999	0.4
77.87162	0.5
95.87379	0.5
97.06581	0.8
105.90297	0.4
121.10268	0.6
125.06093	0.7
125.09708	1.7
141.09239	0.6
141.12869	0.5
153.09186	0.9
155.10841	0.6
165.12862	0.6
171.10286	1.3
181.12296	0.7
183.13849	1.0
185.11873	0.5
194.14980	0.5
195.13922	0.7
199.09749	2.8
200.10536	3.2
201.11270	2.1
210.22475	0.5
211.13364	0.9
247.20642	4.4
265.21701	1.4
273.18704	1.0
281.21057	0.9
291.19666	16.4
292.20010	2.2
309.20712	100.0
310.21042	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03125	1.2
54.11914	1.4
57.03426	3.9
59.01372	3.8
61.86548	1.2
69.03443	1.8
70.60371	2.7
71.05008	1.4
79.79028	1.2
80.02642	1.8
81.03454	4.6
83.01381	9.9
83.05030	5.1
95.05024	3.0
97.06593	4.3
107.04946	1.5
111.08162	1.7
123.04526	3.2
123.08158	3.2
125.06110	2.4
125.09708	11.4
137.09683	1.5
139.11292	13.0
141.66785	1.2
151.11365	2.3
163.11285	7.5
165.09123	1.9
165.12828	13.7
167.10725	5.2
168.11577	2.5
171.10205	1.6
181.12350	4.2
183.13916	2.3
191.10751	3.1
193.15961	5.5
197.11835	2.3
199.55708	1.2
209.11813	60.3
210.12172	3.7
211.13406	1.6
218.33647	1.4
220.51616	1.4
247.20634	11.4
265.21658	5.6
273.18503	4.7
281.21124	2.7
291.19650	100.0
292.19901	9.9
309.17181	2.8
309.20676	43.4
310.20880	3.6
311.77014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01391	2.5
65.92825	1.6
69.03464	4.0
69.95183	7.6
80.10958	1.6
83.19768	1.5
84.55346	1.4
108.74220	1.5
111.08163	5.5
117.05885	1.6
119.08679	16.6
121.75098	1.6
125.09713	6.0
127.11364	1.8
137.09729	30.3
154.77649	1.9
155.10788	3.5
167.10818	2.4
171.10281	100.0
172.10596	5.6
183.10205	5.4
185.11838	22.4
195.13808	1.9
197.11804	13.6
198.12309	2.2
201.11282	8.4
211.13458	2.6
213.11345	7.8
225.15033	1.9
229.19739	2.8
251.20499	1.7
273.18628	7.7
291.19699	35.9
292.20090	4.1
309.17184	3.4
309.20737	49.2
310.20953	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68486	1.1
53.73601	1.2
57.29359	1.3
65.34450	1.2
71.01894	2.8
89.29636	1.3
90.42547	1.2
111.08156	32.8
127.07586	2.0
139.34161	1.1
151.11334	1.5
169.12355	4.3
191.43794	1.2
197.11829	100.0
198.12169	6.5
199.13417	3.4
209.15503	3.8
211.13425	9.4
223.16988	1.3
227.12836	4.0
251.16460	3.6
263.20267	6.9
263.22720	1.3
265.18112	2.9
291.19666	27.2
292.19965	1.3
309.15073	2.8
309.20685	51.1
310.21072	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15246	1.0
55.35439	1.2
57.03442	2.0
57.79425	1.0
59.01366	2.2
62.29624	1.3
69.81068	3.2
69.81469	2.5
83.05027	1.2
97.02936	9.0
97.06552	1.9
98.19986	2.0
101.30637	1.3
111.08166	1.9
125.09759	1.3
130.33630	1.2
137.09734	2.8
151.11259	1.6
163.11247	3.2
165.12859	5.5
171.10266	5.7
179.14365	1.7
183.13745	1.2
193.12267	3.1
193.15974	2.9
195.13887	4.2
197.11804	2.4
209.11853	2.5
211.13394	3.0
221.15479	6.1
223.13359	3.2
227.12915	4.5
239.16251	1.6
247.20651	6.6
251.16420	1.5
273.18628	4.7
279.48312	1.2
291.19653	100.0
292.19946	6.6
309.20691	89.3
310.21106	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.72560	1.1
57.03450	2.7
59.01391	2.9
66.23843	1.3
70.41113	2.8
71.05019	18.0
97.06590	6.2
98.20603	1.8
107.05005	2.8
119.08669	2.2
121.10238	12.9
123.04472	1.5
123.08158	1.6
125.09737	8.4
135.08133	1.7
137.09723	16.1
139.11220	1.4
141.12846	1.9
171.08794	2.9
171.10272	42.3
176.58983	1.3
185.11819	16.7
197.11801	5.0
207.13904	1.6
211.13351	2.1
219.13979	1.9
235.17053	2.0
237.14929	3.1
247.20798	2.2
251.13908	1.9
251.16518	39.2
252.16885	2.7
273.18680	3.7
291.19659	96.8
292.20044	9.1
309.20697	100.0
310.21173	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69282	1.4
55.99020	1.4
56.45708	1.4
57.03443	3.3
59.01374	2.5
69.74338	9.2
71.05024	16.1
83.77798	1.5
95.05045	1.6
97.06586	7.0
102.69758	1.7
113.08316	1.3
118.07793	1.4
119.08622	2.0
121.10231	11.6
123.08164	3.1
125.09743	9.6
135.08171	1.7
137.09712	20.4
141.12836	1.9
171.10272	47.5
181.12273	2.0
185.11833	17.8
197.11739	3.5
197.53331	1.6
207.17575	2.5
219.13908	4.0
235.17125	1.8
247.20625	1.7
251.16522	38.1
267.56488	1.7
273.18549	3.4
291.19656	100.0
292.19882	11.0
297.66547	1.5
309.20712	96.0
310.21152	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	307.264
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
54.57423	0.4
59.01345	0.5
63.06212	0.4
64.82139	0.4
71.47141	0.5
135.04535	0.6
180.40469	0.4
307.26395	100.0
308.26767	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	308.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66129	0.5
59.01377	100.0
60.01714	1.2
71.01395	1.8
71.14479	1.0
73.02962	1.0
78.37898	0.5
85.02973	0.8
93.94989	0.5
93.98444	0.4
96.95997	1.3
101.02485	0.9
124.73841	0.5
161.04565	1.2
300.93188	0.5
329.10815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72620	1.0
54.47419	0.8
57.03500	1.0
59.01384	16.1
60.37221	0.8
70.19125	1.5
70.19498	2.1
71.01378	8.1
73.02946	41.5
75.00873	3.5
75.01942	0.8
85.02956	4.6
88.04063	1.3
89.02443	6.5
99.00846	5.7
101.02458	3.6
103.00378	2.7
112.98827	1.3
113.02440	3.6
117.01941	100.0
118.02279	1.9
119.03501	2.2
129.01920	2.0
129.05539	1.8
130.05104	1.8
135.02969	1.1
147.06670	7.5
169.57118	0.9
252.31219	0.9
280.98663	1.0
283.82263	1.0
309.11884	22.3
310.12375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42041	6.0
59.01373	51.3
61.98829	6.4
68.12641	5.0
71.56001	7.6
73.02964	6.8
76.87518	5.0
97.02953	9.6
124.54306	4.8
125.09738	5.2
137.09671	6.1
171.10268	9.0
189.53900	5.2
197.11711	8.5
204.98846	7.7
223.13458	6.1
291.16516	10.1
291.19595	76.3
309.20688	100.0
310.21066	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.22492	0.3
59.01392	1.9
61.15554	0.3
69.84476	1.7
71.01381	1.0
79.06918	0.3
91.45713	0.4
96.95992	0.4
103.04035	0.4
107.20345	0.3
135.04550	0.5
157.05037	0.5
289.18146	1.1
294.06058	0.3
307.22784	100.0
308.23132	10.1
321.10641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2276
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.04820	1.9
57.03421	3.0
57.84337	1.7
59.01374	13.2
69.27761	4.6
69.28171	15.5
71.01360	8.7
83.04994	2.1
96.95988	2.2
98.19934	3.7
103.04001	3.8
108.64745	1.9
123.08148	4.2
127.11297	4.8
151.11304	12.1
153.12747	2.3
160.14325	1.9
173.52838	2.0
177.12833	5.0
178.97672	2.3
179.03389	1.9
197.11746	7.0
209.11792	2.9
231.21167	4.8
245.18745	1.8
275.20123	65.9
276.20502	6.1
289.18088	12.4
291.09076	3.0
307.19241	9.5
307.22720	100.0
308.19888	2.1
308.23047	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03449	2.2
59.01385	11.0
71.01370	4.1
96.96011	1.6
103.03992	1.7
111.08129	1.8
121.02934	1.1
140.42227	0.9
149.09686	1.2
177.12837	3.7
179.14473	10.1
188.87398	1.1
195.13881	3.2
205.12248	2.9
205.15977	7.0
217.79684	1.1
223.13416	15.7
224.13666	1.5
230.51648	1.0
231.21101	5.6
273.18622	1.4
275.20163	90.8
276.20447	7.7
289.18073	4.7
307.19360	6.8
307.22766	100.0
308.23099	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78053	3.0
57.03447	16.0
59.01371	9.7
61.64779	3.1
69.03424	4.4
69.63371	3.1
70.30744	5.0
70.31136	6.2
71.00166	3.4
71.01389	10.3
80.02685	3.1
83.05000	7.6
87.19681	3.2
95.05031	9.6
95.96236	3.3
97.06572	29.5
109.06580	6.4
111.08156	13.4
123.04564	4.4
125.09721	7.1
135.08153	5.5
137.06104	4.4
137.09720	5.4
149.09708	7.8
151.11282	27.0
153.09222	4.7
153.12918	4.4
155.10783	14.6
163.11276	7.8
165.12834	43.3
167.10765	3.8
168.11490	4.8
171.10243	6.2
177.12784	5.6
179.10759	13.5
181.12314	52.0
185.11784	5.4
191.10808	24.0
191.14412	10.7
209.11804	100.0
210.12097	4.6
211.13376	11.7
239.09317	3.5
245.19054	36.5
245.60060	3.3
261.18689	5.3
263.20157	10.2
271.17276	3.7
279.19641	6.9
289.18115	46.1
290.18265	4.5
307.19162	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
57.03436	15.0
59.01372	12.6
69.03461	5.2
70.68076	10.3
71.01375	12.2
71.05014	3.7
79.45495	3.6
83.05040	6.5
88.78088	3.6
90.93635	3.8
95.05039	5.3
97.06576	24.2
109.06576	9.9
111.08146	12.0
123.04512	5.6
125.09680	7.2
127.11246	3.7
135.08145	4.1
149.09705	9.3
151.11290	27.0
153.09126	3.5
153.12865	8.4
155.10759	13.8
163.11270	9.3
165.12814	33.1
166.13184	4.7
167.10764	7.8
177.12784	6.0
179.10765	7.2
181.12332	47.5
191.10730	20.2
191.14346	10.1
195.10199	4.9
209.11818	95.8
211.13330	10.7
245.19060	42.6
261.18381	3.9
263.20114	13.6
279.19543	9.2
289.18100	47.3
307.19153	100.0
308.19351	7.6
318.60342	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92576	1.1
57.03437	2.8
59.01368	5.1
70.59910	2.0
70.60226	1.7
71.01357	1.2
72.63156	1.3
73.02966	1.1
80.02688	2.1
85.06593	1.3
91.80545	1.4
92.98260	1.3
95.05011	7.8
97.06590	4.6
107.08669	19.7
109.06614	2.2
111.04508	3.0
113.06083	11.5
119.08666	4.5
123.08147	3.5
125.09730	11.8
127.60111	1.2
135.08183	2.7
137.09709	8.0
141.09285	1.5
151.11201	1.5
155.10724	1.9
163.11180	1.5
167.10686	1.7
171.10248	4.4
183.13962	2.6
191.14474	2.4
193.12323	2.2
199.09752	23.1
200.10475	8.6
209.15456	3.3
211.13388	2.6
213.11266	5.7
233.15434	4.1
245.19077	18.9
263.20132	4.5
271.16953	1.9
289.18085	44.3
290.18436	4.5
306.67029	1.1
307.19128	100.0
308.19348	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.4
58.80212	3.1
59.01376	5.8
60.48128	3.1
65.51373	3.3
65.90228	2.5
70.30042	7.1
70.30445	5.6
80.02650	4.0
81.03429	6.0
83.01366	10.2
83.05009	5.3
95.05042	4.6
97.02909	4.9
97.06576	7.0
123.04494	11.1
123.08109	5.4
125.09704	21.9
126.65002	3.7
137.09689	15.6
141.12891	3.6
156.17816	2.8
161.63643	3.1
163.11250	10.2
165.09290	3.3
165.12785	4.8
167.10791	3.5
180.38892	3.0
181.12268	5.5
185.11797	22.0
191.10669	5.2
191.14384	18.6
207.10266	7.6
207.74593	3.1
209.11859	46.2
225.11241	11.1
245.19093	43.7
271.16843	4.9
289.18066	100.0
290.18311	3.8
307.19156	50.1
313.57388	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83729	1.2
57.03439	3.1
59.01376	4.8
62.41936	1.2
64.95734	1.2
70.56438	2.9
71.05008	1.9
73.02930	2.5
83.05032	2.3
84.02158	2.9
86.89168	1.2
95.05022	7.3
97.06583	3.2
107.08667	19.5
109.06576	4.0
113.06072	9.7
119.08675	3.1
121.06422	1.5
123.08132	3.6
125.09720	9.2
127.07584	1.7
135.08151	2.7
137.06032	1.6
137.09747	5.4
141.09164	1.9
151.07632	1.8
151.11212	2.2
153.12694	1.3
167.10703	1.3
171.10287	3.8
181.12286	2.3
183.13896	1.8
185.11813	1.5
185.74561	1.5
191.14304	1.9
193.12325	3.0
199.09737	21.8
200.10458	4.9
209.15320	1.9
211.13348	3.5
213.11342	3.7
233.15425	3.3
245.19104	20.3
246.19377	2.0
252.13669	1.4
263.20032	7.4
271.16946	3.8
289.18088	42.3
290.18469	2.7
307.19135	100.0
308.19501	6.8
320.10349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11390	0.5
59.01369	1.7
67.95689	0.5
69.03468	0.8
69.88921	2.0
71.05020	3.5
80.02660	0.5
81.03446	1.5
83.05023	0.7
95.05017	1.4
97.06618	0.6
98.03726	1.4
98.19960	0.6
106.04236	0.5
109.06589	11.1
111.04510	5.6
111.08146	0.9
112.05321	0.8
120.62202	0.4
123.08140	1.2
127.07698	2.6
137.06125	0.5
137.09695	0.7
143.10786	1.2
145.06578	2.1
149.06076	0.4
149.09740	1.0
167.10786	1.4
179.10699	1.0
195.13893	3.5
235.13316	1.5
245.19041	4.9
249.15016	0.7
251.16319	0.6
271.16995	1.6
287.16556	2.1
289.18076	100.0
290.18399	7.6
307.19122	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03440	4.1
57.78682	2.0
59.01369	3.7
61.98808	6.4
65.03962	58.8
70.77637	2.5
70.77978	4.1
71.05019	38.1
80.02676	2.0
82.89206	2.0
82.97311	1.7
83.05029	3.0
95.05030	3.1
97.06586	64.1
98.06923	2.9
104.60226	2.0
105.29679	1.8
108.52860	2.1
109.06596	3.4
119.08646	18.1
120.08978	2.2
121.06596	96.5
122.06918	3.1
123.08119	3.1
125.09721	41.0
126.10058	2.0
137.09685	7.3
141.12837	3.0
151.35609	1.8
160.46605	2.0
163.11183	2.6
171.10214	4.4
179.92804	1.9
185.11819	78.4
186.12009	2.5
191.14119	2.8
209.11839	43.9
210.12112	4.1
211.13374	34.7
212.13783	3.3
223.13316	4.8
235.13371	100.0
236.13622	6.3
249.14925	6.6
279.19339	2.1
289.18069	35.9
290.18399	4.6
307.19141	56.3
308.19373	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
57.03443	7.7
59.01371	5.2
65.03966	61.8
69.03479	3.2
69.73364	5.0
69.73784	9.4
71.05022	38.7
75.10553	2.7
81.03445	4.7
83.05012	10.3
87.92934	2.7
93.03461	22.1
97.06591	66.7
105.55989	3.1
109.06604	6.2
111.08144	3.2
116.10372	2.9
117.07145	14.4
119.08675	28.3
121.05720	4.9
121.06600	83.3
123.08154	5.9
125.09723	53.2
133.06584	4.8
135.08170	74.1
136.08585	3.3
137.09688	4.7
138.06891	6.7
151.11362	4.3
171.10266	54.2
185.11830	79.4
186.12146	3.7
195.15919	2.7
205.16020	4.2
209.11821	36.8
211.13396	36.0
233.15428	16.3
235.13390	75.4
236.13773	4.6
245.19054	7.3
247.63564	3.2
249.14998	19.9
261.18573	4.2
271.17117	3.8
279.19727	3.6
285.52124	3.4
289.18091	100.0
290.18463	9.5
307.19131	67.0
308.19437	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.18408	0.8
52.63747	0.9
55.01870	1.1
58.00589	1.6
59.01383	38.0
59.55220	0.8
63.63588	0.8
67.04457	0.9
69.17434	8.7
71.01382	20.3
73.02952	1.6
79.27438	0.9
80.96530	2.5
83.01402	1.3
85.02958	3.3
87.00883	1.2
89.02452	16.2
95.01402	1.4
96.46015	0.9
97.02985	1.1
99.08163	16.5
101.02441	12.4
103.53720	1.0
113.02447	6.7
119.03504	7.7
127.07666	3.8
129.09213	1.6
135.04517	2.2
141.09232	2.2
145.08713	57.5
146.09055	1.8
177.42091	0.9
177.47974	0.9
179.03487	2.4
179.05618	1.2
180.63786	1.0
187.09789	1.5
307.08286	3.5
307.13992	100.0
308.14368	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03461	0.7
58.00589	1.6
59.01376	38.0
71.01376	21.5
72.99311	1.7
73.02943	2.1
75.00840	0.5
78.15713	0.5
78.95916	1.0
80.96514	2.0
83.01379	1.9
85.02946	5.6
87.00866	1.9
89.02435	17.9
95.01407	1.3
97.06614	0.7
99.08150	21.8
100.08533	0.7
101.01793	1.0
101.02437	13.7
103.04020	0.6
110.07673	0.5
111.45441	0.5
112.98643	0.5
113.02440	8.5
114.02739	0.6
119.03501	7.6
126.05612	0.9
127.07649	6.5
129.09195	1.5
135.04509	0.8
141.09203	2.7
143.03566	0.6
143.07240	0.6
145.08698	60.8
146.09013	1.6
149.06020	0.8
161.04515	0.9
174.01691	0.9
179.03400	1.3
179.05611	0.6
187.04163	0.5
187.07764	0.6
187.09750	1.4
193.05106	1.9
227.46036	0.6
247.08107	0.7
271.08139	0.5
307.08258	2.4
307.13962	100.0
308.14374	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
59.96750	0.5
62.40717	0.3
63.42000	0.4
68.97556	0.4
69.25175	1.8
69.25603	1.8
71.01385	0.6
74.99072	5.6
88.53204	0.4
91.02227	2.9
93.00135	1.7
94.91647	0.4
98.20641	0.9
98.66969	0.4
139.60071	0.4
143.05318	0.6
149.00948	2.4
159.08472	8.0
161.06401	1.7
171.44035	0.4
185.11653	0.4
206.99721	1.1
209.01215	2.1
209.11905	0.5
215.23160	0.4
217.07227	1.0
223.02834	49.8
224.02844	4.9
241.03835	0.6
245.19089	0.8
289.07547	1.6
289.17978	2.0
291.09100	100.0
292.09201	12.0
307.12320	4.1
307.19037	3.1
308.12271	0.7
309.09964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
64.92338	0.6
71.01381	2.5
74.99063	5.8
91.02204	2.5
93.00116	2.1
96.96007	1.3
98.19916	1.7
103.04024	0.8
137.09706	0.7
149.00967	2.2
157.05013	0.6
159.08449	6.1
161.06418	1.7
185.11777	0.6
206.99612	1.4
209.01271	2.9
209.11896	1.0
223.02824	51.5
224.02821	4.0
241.03828	0.7
245.19235	0.9
284.30002	0.6
289.07483	1.4
289.18051	2.8
291.09085	100.0
292.09192	11.7
307.12283	4.2
307.15726	1.1
307.19238	3.7
307.22455	0.9
309.10037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.60947	0.6
57.03437	1.4
58.00580	1.3
59.01377	66.8
59.77888	0.6
69.82202	0.6
71.01376	22.7
71.26349	1.0
72.99307	1.7
73.02936	2.8
80.96521	4.4
83.01381	1.7
85.02946	10.4
87.00863	2.3
88.04047	0.7
89.02437	13.8
93.03436	0.7
95.01353	1.4
95.88094	0.7
96.95969	0.9
99.00875	1.0
99.04532	0.8
99.08128	3.2
101.02436	15.4
103.03996	1.5
107.05013	0.9
111.00871	2.1
113.02443	7.9
119.03489	6.2
119.05009	1.4
120.99645	22.2
127.07659	4.0
127.51501	0.7
131.03459	1.3
133.02937	4.9
134.03670	1.3
135.04515	49.0
136.04832	1.9
138.52383	0.7
145.08704	25.1
148.05188	0.9
161.02434	10.9
161.04465	1.1
162.02736	0.7
175.03972	3.5
179.03484	54.3
180.03773	2.3
191.05618	1.3
203.03439	0.7
205.08850	0.7
265.12784	1.9
273.84067	0.7
289.07236	0.6
289.12811	0.9
291.63245	0.7
292.14133	1.7
307.08661	13.9
307.13953	100.0
308.11398	0.9
308.14343	6.2
308.18423	1.4
322.87561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72696	3.2
57.03438	4.1
59.01377	9.8
60.99768	3.1
68.99570	13.5
69.71059	3.1
69.72279	18.3
70.79250	3.0
71.01376	63.2
72.99296	5.4
73.02949	4.4
85.02969	7.9
87.00861	4.3
93.43240	2.8
96.95963	3.5
99.00877	13.7
101.02437	4.8
111.00877	14.7
112.98807	54.4
114.99570	5.1
115.00372	100.0
129.01955	9.7
133.05081	23.8
142.99844	63.6
173.00879	38.8
191.05588	17.5
200.43161	3.4
205.27710	3.4
248.30081	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94379	1.2
59.01368	5.1
61.98829	1.9
67.73767	1.0
69.32661	1.1
71.01378	2.7
71.55925	1.1
71.56290	1.2
72.00933	1.8
72.04553	13.9
85.02965	1.4
87.05653	6.4
88.04052	7.2
91.05534	6.4
97.04055	2.4
97.06602	7.2
99.05598	2.3
100.04048	53.3
101.04367	1.4
104.50483	1.2
106.04229	1.1
109.04073	1.7
115.05143	47.9
118.06609	1.7
133.02985	3.1
134.03746	100.0
135.04559	17.2
136.04942	1.0
137.02553	1.5
140.24596	1.1
140.76228	1.0
144.03030	29.9
144.04128	2.3
147.04543	2.6
161.04546	1.3
169.92839	1.1
173.07222	1.3
176.07123	8.3
177.01932	5.0
178.02742	13.1
179.03465	2.5
190.05144	1.3
191.00266	2.7
192.00760	3.1
201.10371	5.3
219.11418	2.2
220.06186	3.2
231.10327	2.9
235.10873	30.4
236.11340	1.3
245.09315	14.4
251.02109	8.2
251.06236	1.4
261.08826	2.8
263.10376	9.2
275.09351	4.8
289.08453	2.6
307.09052	2.3
307.11929	39.5
307.17612	1.6
308.12283	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	306.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11080	1.3
58.02967	10.3
59.01369	3.5
61.98836	2.2
69.92943	6.8
70.02973	33.0
71.01375	3.6
71.02477	2.0
73.02910	1.4
86.02438	1.9
95.02516	1.7
96.00910	40.9
98.01196	7.6
98.19932	1.6
109.14606	1.5
111.01997	1.6
113.03573	16.2
114.01968	69.3
131.04634	18.1
135.04446	1.5
146.06114	84.6
147.04529	1.7
147.06465	4.1
164.07114	2.0
172.07663	7.6
182.05708	2.6
191.11909	3.8
191.55386	1.2
199.08681	2.2
207.30084	1.4
217.09772	14.8
217.13319	2.2
217.32477	1.2
243.07748	10.1
255.63887	1.3
288.13516	100.0
289.13876	7.3
306.14575	98.6
307.10306	4.1
307.14954	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	306.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
61.98828	100.0
62.98544	0.6
63.99260	0.6
64.78873	0.3
69.43108	0.9
69.43523	1.6
71.01376	0.7
71.07301	0.3
85.00034	0.4
93.28163	0.4
98.20667	0.7
101.02364	0.3
103.03987	0.7
103.71749	0.3
120.97285	0.5
121.02954	1.0
122.23119	0.3
128.04451	0.3
136.96741	1.1
157.04962	0.4
161.98907	2.0
162.96570	0.6
162.98952	1.6
163.98651	2.8
164.96376	52.7
165.01863	0.7
165.96478	2.9
176.01096	0.4
176.98058	0.5
178.97748	0.4
205.00087	0.4
205.99838	0.4
206.97429	20.5
207.97441	1.1
306.97382	17.7
307.00064	1.8
307.97342	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52193	1.0
52.62133	1.0
58.65631	0.9
59.01387	8.6
71.05025	44.2
71.38960	1.4
71.39299	1.4
81.03472	5.1
83.05030	1.7
93.03468	1.8
95.05029	19.7
106.04239	2.7
107.05055	2.4
108.28515	1.0
109.02943	1.4
109.06593	18.2
111.04522	3.1
119.05040	2.4
121.06599	7.0
122.03738	2.3
123.08177	2.5
127.07660	2.7
134.07520	1.1
135.08186	3.1
136.05286	1.2
139.07680	1.4
141.01700	2.3
147.04507	2.5
147.08160	3.7
150.06857	1.8
161.06085	3.8
161.09758	1.8
164.08374	1.2
165.09224	13.9
169.14401	1.2
172.83144	1.2
173.09706	1.3
189.12845	17.3
203.14470	1.4
205.15965	11.2
215.10849	1.4
231.13864	3.0
233.11908	7.3
243.17525	11.8
249.14940	13.3
261.18689	3.0
263.16354	2.0
269.15457	3.9
287.16541	85.8
288.16800	8.3
305.17587	100.0
306.17984	8.0
318.59967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
60.23512	0.6
70.87144	1.6
78.06001	0.8
79.81519	0.7
80.66044	0.7
90.70071	0.7
305.24841	100.0
306.25192	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	306.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19769	0.3
53.54153	0.3
55.45414	0.3
59.01376	3.0
60.35312	0.3
61.98833	54.9
63.59546	0.4
71.01396	1.2
83.42812	0.3
87.00900	0.4
93.03448	0.5
94.05000	0.3
96.96030	0.8
97.06593	6.3
105.03461	0.6
106.04265	0.9
113.02525	0.4
115.05155	0.4
116.40805	0.3
119.05088	0.3
133.02968	3.7
134.03746	100.0
135.04523	10.5
137.02443	1.3
159.32736	0.4
162.00226	0.6
177.01936	6.6
178.02719	19.3
179.03484	1.5
187.07675	0.6
189.99684	4.1
191.00467	8.3
221.99883	0.4
223.00679	0.4
231.10263	3.2
234.99356	0.8
235.97495	0.4
238.02670	0.4
250.01790	20.3
251.02133	1.3
275.09259	5.0
306.04477	1.5
307.11884	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03432	1.9
59.01380	7.9
63.23352	1.0
69.41211	6.0
69.41618	2.2
71.05021	24.9
80.02654	2.1
81.03457	2.0
83.05003	1.8
93.03468	2.6
95.05028	12.9
95.87466	1.0
97.06587	3.6
97.24583	0.9
106.04230	2.4
107.05015	1.2
108.02171	1.0
109.02933	1.6
109.06577	11.2
111.04510	2.0
119.04991	1.7
120.05810	1.4
121.06618	5.4
122.03731	1.7
123.08181	1.6
125.09748	6.7
127.07658	1.5
135.07217	1.5
135.08160	19.0
139.07617	1.5
142.12802	1.0
147.04515	1.1
147.08119	2.1
149.09685	0.9
153.09166	1.6
154.47974	1.0
161.06067	2.4
162.06778	1.0
165.09251	8.1
166.48441	1.0
173.09741	1.5
175.07465	1.3
175.11375	1.1
185.11823	3.9
189.12816	12.0
205.16003	6.9
209.11813	1.0
211.13388	1.2
223.13216	1.5
233.11845	3.9
243.17485	11.8
249.14909	10.3
256.53766	1.0
261.18506	3.4
263.16541	1.9
269.15369	1.2
287.16510	60.2
288.16760	6.2
299.53024	1.1
305.17572	100.0
306.17825	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08929	1.1
51.49245	1.4
51.93367	1.0
55.01892	1.3
56.67332	1.0
57.03443	2.4
59.01366	4.2
59.13511	0.9
59.94007	0.9
65.03958	2.3
68.90563	1.1
69.03425	1.4
70.41331	3.8
71.05025	8.9
78.84752	1.1
79.05529	12.4
83.05022	1.8
83.36778	1.1
91.05483	1.3
93.03433	2.3
95.05006	2.1
97.06601	14.3
106.04238	11.3
107.05014	3.5
109.06589	3.3
117.07104	2.3
119.05002	4.0
120.05814	7.2
121.06596	5.6
123.08170	7.8
125.09727	23.0
125.39127	1.1
126.10069	1.1
131.86823	1.0
133.06624	2.3
135.08159	100.0
136.08498	3.0
138.09589	1.1
141.37172	1.1
151.11273	2.5
161.06096	2.1
163.11320	2.6
171.10188	1.6
185.11845	1.9
189.12883	3.3
199.13390	1.8
205.15932	5.5
207.10211	2.5
209.11739	1.8
222.60893	1.3
227.58504	1.3
231.13829	1.2
243.17520	2.5
249.12358	2.5
249.14954	48.7
250.15250	3.4
263.16592	1.9
269.15448	3.4
277.18051	3.1
287.16495	16.4
288.16788	1.6
305.17560	95.1
306.17932	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69881	2.1
55.01864	2.6
59.01376	18.5
62.61704	1.9
68.99551	2.3
69.84856	10.0
70.71364	2.1
71.05019	14.8
73.02940	5.1
86.97111	2.0
95.05028	2.5
97.06580	6.7
97.45090	2.1
98.20668	1.8
99.04514	88.6
107.05042	2.1
107.08661	2.7
109.06619	4.0
123.08160	25.4
125.06084	12.3
135.08138	5.7
136.05278	4.8
141.01683	4.2
149.09700	8.8
175.11217	4.1
188.12109	2.4
189.12740	4.2
193.12288	6.3
195.13885	2.4
205.12341	6.4
219.13849	7.9
231.13925	3.9
243.17516	40.7
243.20018	2.7
244.17963	2.9
249.14943	4.8
261.18439	2.0
269.15488	5.6
287.16537	86.3
288.16782	7.3
305.17566	100.0
306.17896	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
65.17879	0.7
69.03439	0.9
71.03220	1.2
71.03567	1.6
83.05045	1.2
83.60812	0.8
97.06583	2.6
97.33786	0.8
99.08138	0.9
117.07089	0.9
121.02959	6.5
123.08141	1.6
125.09714	13.7
127.11238	1.5
133.06627	2.3
134.64014	0.9
135.08138	1.2
141.01680	1.8
148.98355	0.9
158.07315	2.8
159.08128	2.0
161.06078	1.5
171.10257	29.4
172.10571	1.0
231.17517	1.1
243.17514	2.8
244.17966	1.0
261.04285	1.0
261.18488	2.3
269.15573	1.0
275.16470	3.5
277.17972	5.0
287.16495	41.3
288.16882	3.8
305.17548	100.0
306.17822	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	305.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
59.01377	23.5
62.53250	0.7
69.03455	3.6
69.81937	1.6
69.82345	2.9
71.01385	0.6
71.05014	5.5
81.03446	1.1
83.05019	1.6
89.80566	0.6
93.03463	2.4
93.07086	1.5
95.05022	3.3
97.06600	1.8
98.19889	1.2
106.04260	0.9
107.05037	0.8
107.08691	0.7
108.02087	0.7
109.06596	3.1
111.04544	1.3
117.07101	16.6
121.06572	1.3
123.08170	1.0
125.09699	5.2
128.03506	0.7
135.08170	8.5
136.08496	0.7
139.07591	0.8
141.01735	1.0
149.09708	1.6
157.31134	0.6
161.06119	0.8
161.09689	0.8
165.09236	1.0
167.10796	4.9
171.56187	0.6
175.11377	1.2
177.12874	0.9
179.10791	1.6
179.14420	4.4
185.11821	3.3
189.12886	1.6
195.13889	11.8
196.14122	0.8
205.10541	1.1
205.12329	12.0
205.15973	0.8
206.12614	1.2
209.11888	1.0
223.13380	100.0
224.13753	6.5
233.19141	0.8
243.17506	3.8
245.11600	12.8
245.15327	1.1
249.14958	2.4
261.18549	0.9
277.18054	2.5
287.16507	33.8
288.16837	3.2
305.08093	1.1
305.13748	12.0
305.17569	37.7
306.14261	0.9
306.17856	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	305.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	1.0
71.01388	4.2
71.56136	0.9
73.02942	2.0
75.36190	0.6
77.83244	0.6
80.38937	0.7
83.01395	0.8
85.02962	2.3
89.02481	0.6
93.07108	0.8
101.02434	5.1
101.76446	0.7
110.20827	0.6
113.02439	1.6
161.04547	2.1
162.00211	1.2
162.98650	0.9
163.99371	1.1
189.99692	7.2
191.00453	16.9
221.99951	0.8
234.99414	1.5
236.00386	0.8
250.01755	44.0
263.14938	9.3
305.00797	1.0
305.14801	1.2
306.04449	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	305.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44790	5.3
50.80842	5.4
59.01384	34.1
61.98827	6.2
69.61808	23.4
69.62222	13.8
71.01382	21.1
71.33037	5.4
72.55902	5.1
73.02959	6.5
79.95731	35.1
80.96515	23.6
81.55037	5.4
85.02939	8.8
89.02466	6.3
98.20560	7.4
101.02435	10.0
123.04499	5.6
124.38421	7.1
128.03522	6.2
133.02969	36.8
143.04640	13.9
159.20000	7.6
173.04668	7.1
177.01892	7.6
185.99959	7.3
287.05994	43.5
303.18094	6.0
305.06973	100.0
305.15991	14.2
306.07419	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	304.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98828	100.0
69.30782	4.4
69.31194	2.3
79.77891	0.9
86.45477	0.8
96.96002	1.5
103.66078	0.9
109.06555	1.7
128.66261	0.8
149.98657	1.0
166.55940	0.8
179.10629	0.9
197.11829	11.9
241.10805	28.9
242.11183	1.7
287.16568	1.3
305.17590	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59621	0.3
53.87898	0.3
58.02974	35.5
59.01368	0.4
59.03321	0.4
66.20740	0.3
67.96325	0.3
70.02950	0.3
70.06178	1.1
142.83252	0.4
168.13928	100.0
169.14290	5.2
197.19598	0.3
212.12880	2.5
287.16516	0.5
304.19202	1.8
305.17648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02996	0.5
57.03464	0.5
57.81797	0.5
59.01384	1.3
59.92998	0.5
65.15511	0.5
66.38427	0.5
67.11356	0.5
68.99575	73.5
70.81690	1.4
71.01387	1.6
84.01295	0.6
87.00879	1.1
87.04511	1.4
96.95981	0.5
101.02433	0.5
105.93563	0.6
112.98569	100.0
113.98907	1.0
114.01948	0.5
115.00381	2.0
129.02000	0.6
131.03493	2.3
131.04517	0.5
133.01427	3.3
137.99760	0.5
159.97725	0.6
173.04514	0.7
191.05670	1.3
223.38290	0.5
286.36737	0.6
305.08197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1811
Annotation	oscr#10
Peak:m/z	Relative Intensity
57.03426	0.8
59.01372	2.1
63.63440	0.3
69.03443	0.7
70.84206	0.7
70.84520	0.6
74.91523	0.3
77.06991	0.4
89.02389	0.6
91.03982	0.8
107.34140	0.4
139.11232	0.6
165.12834	1.0
167.14406	37.4
168.14755	1.5
211.13376	58.9
212.13742	3.5
229.14418	100.0
230.14752	5.9
277.91568	0.4
303.18143	39.3
304.18491	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	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52862	0.2
57.06958	0.2
59.01377	5.5
60.01717	0.6
61.52274	0.2
61.98826	100.0
70.03123	0.7
85.45403	0.2
106.28624	0.2
117.02245	0.5
119.00111	0.3
134.97020	0.3
137.26505	0.2
159.01462	1.0
160.01631	1.8
161.01173	2.8
161.98938	19.8
162.96478	0.7
162.99107	1.2
202.02626	0.6
203.02356	0.5
203.98183	0.3
203.99971	4.0
205.00020	0.2
261.98962	0.5
303.99954	15.3
304.02728	1.6
304.99957	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	303.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98841	6.0
65.22342	4.1
70.04624	11.4
72.36662	3.1
72.99303	4.4
78.73979	3.3
98.20563	3.6
111.08133	8.5
112.62384	3.3
125.09688	3.5
137.09702	6.2
139.07677	7.8
141.09204	16.3
147.99750	3.4
153.09201	42.0
155.10739	5.4
183.10271	4.6
203.82678	3.3
211.09764	32.5
220.99664	3.7
285.20682	20.2
303.16077	9.9
303.19553	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.3
58.00591	5.7
59.01381	100.0
59.28657	1.2
60.01711	1.2
62.20448	1.3
69.03483	1.6
71.01385	52.0
72.99316	14.7
72.99703	1.9
73.02943	3.8
75.00877	6.0
79.05540	1.9
85.02957	3.0
87.00897	1.6
89.02448	22.3
89.11015	1.1
93.03461	1.7
95.05032	2.5
97.06599	8.2
99.00873	4.4
101.02438	10.0
104.53826	1.4
107.05030	2.2
108.02200	1.7
109.06598	3.3
111.08170	4.7
112.98834	6.1
113.02449	6.6
117.01963	9.9
120.05800	1.9
121.03006	1.7
121.06604	4.0
123.08147	4.0
125.09729	5.3
127.11279	8.3
135.02988	3.4
135.08159	1.6
137.06082	2.9
137.09702	2.0
139.07668	4.4
139.11285	22.0
141.09178	1.6
142.99861	22.4
149.06088	5.1
149.09740	4.7
151.11320	2.8
153.05594	4.9
153.09181	2.8
153.12837	10.6
155.10785	28.0
156.11157	1.3
157.12354	2.9
163.11293	7.3
166.06404	2.2
167.07167	7.7
167.10773	17.2
171.10274	20.6
172.10709	1.6
173.00938	4.2
174.01707	10.1
174.12946	2.5
181.08725	4.0
181.12341	21.0
183.10268	17.6
184.10460	1.5
185.11819	77.8
186.12190	2.8
187.09839	1.4
193.04976	2.2
195.10242	13.9
199.13374	39.8
200.13762	2.6
201.11316	39.7
202.11710	2.0
207.10237	4.0
211.06166	2.2
213.11320	91.3
214.11662	4.8
221.11768	4.2
225.07759	8.8
225.11272	16.2
225.43774	1.2
227.13031	2.8
229.14311	6.6
239.12860	3.3
243.12363	66.2
244.12747	4.2
249.11359	2.4
255.12431	1.9
261.13422	43.7
262.13742	2.7
267.12469	3.0
303.14523	51.3
304.14804	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	303.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26346	4.5
57.03439	7.3
59.01380	99.6
60.14120	5.0
66.40877	6.9
67.65398	5.4
69.47503	13.0
69.47908	14.2
71.01391	36.3
72.99308	39.1
73.02921	6.7
75.00871	34.1
79.95731	4.7
84.02139	5.2
89.02448	43.7
95.05061	6.8
97.02958	4.3
97.06609	16.3
99.00892	14.8
100.18314	5.0
101.02428	8.5
107.05061	10.2
108.02211	6.4
109.06580	13.0
110.03691	9.6
111.08155	25.6
112.98801	27.3
115.00388	4.7
116.09544	5.4
117.01949	18.4
121.06611	12.9
122.06077	10.8
123.08149	14.4
124.01678	16.1
124.07699	10.9
124.98830	8.5
125.06091	13.2
135.02977	8.5
136.07690	10.5
139.07651	59.8
139.11322	6.6
140.46387	5.1
142.99869	100.0
149.06078	29.6
153.05586	9.1
155.10794	19.8
165.05496	4.5
167.07144	64.5
167.10783	12.7
168.06624	9.5
171.10315	10.7
173.00874	25.5
174.01685	33.3
181.08691	5.8
185.11841	59.6
193.04997	7.9
195.10374	4.8
199.09741	6.6
201.11359	6.0
211.06139	13.0
213.07640	17.2
213.11313	17.7
217.10815	14.5
225.07664	18.4
237.61829	5.4
243.08746	7.7
243.12329	15.6
303.08990	6.6
303.14432	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	3.9
55.21460	4.5
59.01375	71.4
62.24240	4.1
71.01363	19.4
71.56377	6.9
72.99311	23.4
74.72765	3.9
75.00862	38.0
78.27074	4.0
79.42264	4.4
83.05020	8.2
87.00874	4.8
87.04501	8.5
89.02448	14.1
95.05052	4.5
97.06573	16.3
99.00864	9.0
107.04997	4.3
108.02108	5.5
108.04546	16.6
109.06590	12.3
110.03765	6.0
111.08175	21.7
112.98833	29.3
117.01945	12.0
121.06570	7.4
122.06116	42.4
123.08135	10.5
124.01624	11.7
124.07680	53.5
124.98804	6.2
125.06074	5.1
135.02934	6.1
136.07677	50.2
137.06081	5.4
139.07640	50.4
142.98845	3.5
142.99866	100.0
149.06046	24.0
153.05568	11.9
155.07092	6.0
155.10764	23.5
167.07117	53.5
168.06618	60.0
171.10248	5.4
173.00931	22.2
174.01665	26.2
183.06577	7.2
185.11797	7.4
193.04987	6.6
199.09703	9.8
201.11356	5.3
205.01289	5.6
211.06094	13.4
213.07648	17.3
217.10745	18.0
225.07684	8.7
241.14198	4.1
243.08717	5.3
259.11884	7.0
303.13480	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03434	1.8
59.01358	2.1
66.50770	0.5
71.55782	0.7
111.08170	1.0
113.09692	0.8
118.61770	0.6
125.09717	0.6
127.11239	1.4
138.03239	0.6
176.01266	0.5
209.11800	1.0
211.20708	0.9
221.19095	28.9
222.19397	2.1
235.58730	0.7
237.18521	1.0
239.20155	4.6
257.21149	1.6
265.18039	19.3
266.18439	1.5
283.19128	20.5
283.22253	1.1
284.19412	1.5
301.20178	100.0
302.20523	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	302.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.3
67.54469	0.6
69.93294	1.3
69.93700	2.3
70.53928	0.7
71.01385	1.1
74.02472	27.9
77.42843	0.6
80.02662	0.8
81.03443	1.4
82.07247	0.6
83.05019	6.5
84.02161	2.0
99.50144	0.6
106.81603	0.6
115.07842	0.6
137.97771	0.6
163.11279	4.5
165.12852	3.8
173.34225	0.6
174.08473	1.2
181.12502	0.8
191.10796	1.1
198.14899	0.9
209.11809	100.0
210.12117	5.0
227.12868	45.3
228.13176	2.5
260.14999	1.2
261.13428	0.8
302.16193	1.0
303.14435	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	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
69.35857	0.3
69.36260	0.8
71.01347	0.1
76.20400	0.1
76.41575	0.1
83.05019	0.1
89.02447	0.4
91.03999	0.9
97.06541	0.2
98.23322	0.1
111.08138	0.3
123.69518	0.1
165.12831	3.4
166.13161	0.2
183.13879	100.0
184.14207	4.7
209.11803	2.9
227.12857	4.7
228.13167	0.4
242.68076	0.1
301.16541	14.6
302.16830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83445	0.2
59.01369	0.7
69.21436	1.1
69.21853	0.2
76.08688	0.2
89.02447	0.2
91.04007	1.0
98.19836	0.3
111.08135	0.3
124.11293	0.2
165.12833	3.7
166.13148	0.2
172.06197	0.2
182.42722	0.2
183.13887	100.0
184.14226	5.6
184.15900	0.2
209.11829	2.8
227.12857	4.4
228.13109	0.3
232.48738	0.1
301.16547	15.1
302.16846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
58.93235	0.2
60.97509	0.5
69.84437	0.4
69.84837	0.8
70.36087	0.2
74.99088	0.7
83.77436	0.2
84.14819	0.2
98.20668	0.2
107.81803	0.2
109.72963	0.2
118.39732	0.2
118.96223	1.0
120.97781	0.2
134.99388	4.8
136.97318	1.6
141.07430	0.4
143.05299	1.3
159.08450	1.0
161.06392	4.8
162.06676	0.2
193.99753	0.2
201.04051	0.4
203.05617	2.6
205.03548	0.9
215.05666	0.9
217.07188	79.1
218.07288	5.4
235.08342	0.3
247.01912	0.2
261.06177	0.6
283.11789	0.6
283.15353	0.3
285.13464	32.8
286.13696	3.3
301.16580	100.0
302.16776	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	301.0928
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
54.84353	0.3
59.01364	0.6
61.98825	0.5
64.79710	0.2
69.46593	0.9
69.46996	0.6
71.01373	0.6
72.00900	0.3
73.02917	0.2
74.02485	0.3
93.03452	5.4
115.00378	0.6
121.02948	8.0
123.00889	0.9
137.02460	0.3
138.03214	0.5
139.04007	100.0
140.04335	3.0
147.04454	0.3
164.07166	0.7
165.01955	0.8
165.07445	0.2
174.83876	0.2
181.05045	0.3
301.09250	3.7
301.14838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57986	0.8
59.01371	3.4
61.98827	4.7
69.92643	3.3
71.01371	1.0
72.00933	1.1
80.78265	0.8
93.03476	5.9
98.19984	1.6
115.00391	1.1
120.84139	1.0
121.02962	7.8
123.00871	1.9
127.26199	1.0
135.26836	0.9
137.02394	1.0
138.03235	1.4
139.04012	100.0
140.04332	3.3
147.04538	0.9
164.07120	1.6
165.01933	1.0
179.81354	0.8
183.69356	0.8
241.08325	0.8
244.70360	0.9
244.92619	0.9
255.40735	0.9
284.12564	1.4
301.09427	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	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01381	3.1
61.98829	1.2
64.13557	0.5
68.19134	0.4
71.01385	1.5
71.49915	0.7
73.02936	0.4
76.39690	0.4
85.02954	0.7
89.02457	0.7
89.36665	0.4
93.03459	85.3
94.03819	2.6
101.02457	0.9
133.29285	0.4
137.02448	100.0
138.02789	3.6
174.99254	0.8
217.00253	2.5
282.90372	0.5
284.03229	1.0
298.71906	0.5
299.08176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
68.73946	2.8
69.15365	2.4
69.28371	2.6
69.49574	19.8
71.01377	15.6
72.53487	2.8
72.99294	3.0
74.96181	36.4
80.40010	2.5
81.03450	4.2
83.05017	8.7
85.02954	4.8
88.97755	84.7
89.02439	17.0
97.06597	8.6
101.02441	6.1
111.04517	3.7
111.08145	8.8
113.02445	6.2
117.66901	2.8
119.03525	7.5
119.05001	10.8
129.05589	4.4
132.51720	2.8
165.12840	61.2
166.13234	3.6
174.99280	25.8
187.13428	3.1
197.15390	15.6
207.10242	5.8
209.11792	3.1
211.13420	4.1
215.78864	2.8
217.00296	97.2
218.00586	6.0
223.08670	22.3
225.11298	4.8
240.04185	4.8
241.14420	7.4
257.17679	4.1
267.07401	3.2
273.64191	2.9
283.02786	3.4
284.03214	49.7
299.05560	35.4
299.10272	61.1
299.18704	5.1
299.22159	7.4
300.05792	3.0
300.10669	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	300.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16720	0.4
55.01851	0.4
59.01371	1.4
61.98829	100.0
62.21349	0.4
62.71066	0.4
66.39156	0.4
69.68119	0.8
69.68516	1.9
71.01408	0.5
75.00852	0.4
77.53478	0.4
87.00880	0.7
88.04078	0.5
93.03476	1.0
94.03804	1.0
103.71762	0.4
114.05609	1.6
137.02452	1.8
138.02762	2.4
138.05621	0.6
139.04027	1.5
250.79393	0.4
285.03613	0.5
300.15662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	94.9
60.01714	0.8
62.94264	0.3
66.54884	0.3
68.02094	0.3
69.97417	1.2
78.38701	0.3
79.68628	0.3
95.82731	0.4
98.19927	0.4
114.92042	0.4
115.02512	11.2
116.02614	0.5
116.98646	0.4
117.00436	7.1
118.00498	0.4
120.49031	0.4
132.22227	0.3
141.00461	0.4
156.90298	0.4
156.93076	2.3
156.99977	0.7
157.03545	2.5
157.90840	0.5
157.93295	0.4
158.00378	0.4
158.92857	1.2
159.01489	100.0
160.01619	5.8
201.02541	23.2
202.02716	1.9
209.63226	0.4
217.00587	0.9
241.00412	0.7
247.52687	0.4
249.48175	0.4
257.03705	0.6
259.01547	3.7
260.01712	0.4
283.01724	0.5
301.02652	55.1
302.02789	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	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.13416	0.5
59.01376	1.7
59.01650	0.4
71.01376	3.7
71.54137	0.7
72.99275	0.6
73.02953	0.7
78.95909	1.0
83.01389	0.6
85.02952	1.1
86.33907	0.4
88.98819	0.8
89.02447	1.0
93.03458	56.4
94.03794	1.1
97.66538	0.4
101.02441	1.4
105.01978	1.4
113.02438	0.9
119.03543	0.7
137.02444	100.0
138.02817	3.2
140.56606	0.5
145.01430	0.5
146.20879	0.4
161.04501	0.8
253.09370	1.0
284.03253	1.4
296.00281	0.5
299.05399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01373	1.5
71.01389	0.4
71.54460	0.3
81.03472	0.2
84.38121	0.2
89.02448	0.4
93.03459	6.1
101.02458	0.3
102.21957	0.2
108.02175	0.6
109.02950	0.5
111.27226	0.2
136.01674	2.2
136.76073	0.2
137.02443	100.0
137.72266	0.2
138.02782	3.1
142.89574	0.2
195.79114	0.2
217.00220	1.0
269.32822	0.2
284.03271	0.4
299.07721	11.0
300.08044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01381	4.5
66.13269	0.4
71.01365	0.5
71.55836	0.4
71.60839	0.4
79.52121	0.3
79.89754	0.4
79.95747	0.5
83.68517	0.4
89.91154	0.3
101.02467	0.5
115.74261	0.4
161.04518	0.4
183.01204	4.8
183.57513	0.4
184.01930	0.6
237.09853	0.5
251.23660	0.7
258.58960	0.4
279.23282	1.4
295.22705	0.9
297.04269	0.5
297.15332	11.6
297.24362	100.0
298.15707	0.9
298.24713	9.2
313.11517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01381	4.7
59.37194	0.4
62.29886	0.3
68.89925	0.4
70.28151	1.3
70.28503	0.4
71.01375	0.5
98.19969	0.4
106.68002	0.4
119.84422	0.4
127.11260	0.8
141.12877	0.8
155.10799	2.0
161.65421	0.4
171.10271	3.8
183.01237	4.0
225.46675	0.4
237.09805	0.8
251.23610	0.4
253.25333	0.8
279.23300	6.5
280.23801	0.6
295.22794	0.6
297.15396	7.5
297.24356	100.0
298.15714	0.5
298.24692	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	299.0559
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01381	3.9
63.02389	1.6
64.61753	0.4
65.00319	0.7
69.27036	4.1
83.01361	1.2
87.00858	2.1
89.02417	1.8
93.03462	1.0
98.20610	0.9
101.02412	0.6
107.01370	2.7
109.06569	0.8
119.03456	0.6
119.04984	0.8
133.02943	0.8
134.03703	1.3
148.01610	0.8
149.99524	0.6
151.00342	3.8
163.11369	0.8
165.80476	0.6
173.04523	1.3
174.03175	0.5
183.04424	0.7
188.04767	0.5
191.05696	0.7
199.09718	1.8
200.04817	0.8
207.10242	2.0
211.03973	1.3
212.04869	0.8
217.00218	1.7
225.11346	2.4
227.03452	2.7
234.33095	0.5
239.03464	0.7
255.02975	2.2
256.03732	12.6
257.03979	0.6
261.13409	0.8
283.02466	1.3
284.03238	100.0
285.03616	7.2
299.05585	81.4
299.14969	1.6
299.18579	0.6
300.05945	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	297.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01377	1.2
59.93598	0.8
62.21162	0.9
65.03963	18.6
67.01897	1.6
67.26485	0.9
70.19678	2.9
70.20062	1.6
80.02660	0.9
81.03455	19.7
83.05022	5.0
86.37862	0.9
93.03436	1.0
95.01392	1.2
95.05008	1.1
97.06573	3.5
99.54856	0.9
104.49831	0.8
106.04237	7.2
107.05042	1.7
109.06640	1.1
123.08173	1.7
125.02420	1.0
125.09718	25.7
127.11274	1.0
131.29594	1.0
135.08102	0.9
137.09692	1.0
171.10263	23.4
172.10573	1.3
173.13371	1.8
173.15042	1.0
181.15956	3.8
189.12822	2.0
191.14394	13.2
199.11252	1.1
207.13864	3.9
209.11832	21.2
209.15416	14.8
210.12343	1.1
210.15739	1.2
217.12305	15.1
218.12584	1.5
225.14940	100.0
226.15286	5.4
235.13368	78.0
236.13644	4.9
253.14458	2.3
291.51193	1.0
297.13403	24.0
298.13770	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01374	5.7
68.37454	0.4
71.01369	0.6
71.10589	1.3
73.02946	0.5
83.04970	0.5
84.02161	0.5
85.02929	0.5
90.46313	0.5
98.95602	1.0
102.44090	0.5
103.87257	0.4
116.85911	0.5
127.11256	1.0
141.12857	8.0
155.14429	2.5
171.10214	0.8
201.23105	0.5
235.08188	0.7
249.22214	7.2
250.22435	0.6
277.21649	1.8
293.21255	0.5
295.22766	100.0
296.23129	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	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.89237	0.6
59.01370	1.6
69.23215	4.2
69.23630	1.9
75.54028	0.6
80.29704	0.6
90.05483	0.6
113.09750	1.0
171.10260	4.8
179.14468	0.9
181.12346	0.9
183.10170	1.1
195.13882	13.9
196.14317	0.7
207.08398	0.7
259.20319	0.7
277.21692	20.8
278.21979	0.8
289.09833	0.7
295.22751	100.0
296.23068	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	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	76.7
61.98830	2.4
65.85822	1.4
69.86535	2.5
69.86946	5.6
71.01007	2.4
71.01382	38.8
72.00909	1.5
72.99311	9.8
73.02949	35.8
74.02493	1.4
75.00872	5.1
83.01387	1.6
85.02954	9.2
87.00877	10.5
89.02441	37.2
93.03465	2.4
96.59869	1.4
98.00695	1.4
99.00881	5.8
101.02445	21.0
105.01937	100.0
112.98803	3.0
113.02448	12.8
115.00369	15.6
116.07129	3.0
117.00751	2.0
117.01015	1.7
117.01950	35.0
118.05074	4.3
119.03500	13.9
127.02360	1.3
135.04510	12.7
135.06653	8.7
135.08070	1.3
142.99832	2.7
143.03474	2.9
147.06662	2.6
149.04573	1.5
161.04550	8.9
173.00995	1.9
173.04512	4.6
179.05630	11.5
188.04051	1.5
191.05591	2.8
203.03458	1.7
210.03545	2.1
229.01343	1.4
237.09767	9.7
297.08398	3.4
297.11899	22.4
297.23981	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11650	0.9
59.01376	2.1
69.27387	1.6
69.27788	7.2
69.52712	0.9
171.10266	54.1
172.10579	2.2
183.10262	3.0
195.14046	1.2
277.18567	1.5
277.21716	56.7
278.22128	6.5
295.22769	100.0
296.23123	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	Unknow
Peak:m/z	Relative Intensity
54.37516	0.9
59.01363	3.5
63.56747	0.8
70.96106	0.9
70.96442	1.5
72.16988	0.8
76.89317	0.8
82.00787	0.9
90.39415	0.8
113.09708	2.3
119.37294	0.9
145.03152	0.8
183.13869	3.3
195.13889	25.7
196.14232	1.2
277.21710	24.5
278.21982	1.9
295.22760	100.0
296.23065	7.0
298.53033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1918
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03438	2.2
59.01379	17.3
59.64373	0.6
68.99567	1.4
69.21176	2.5
69.21599	4.8
71.01389	1.9
73.02971	0.8
75.59460	0.7
80.96542	0.7
83.05029	1.8
89.02407	0.8
97.02956	0.8
97.06580	1.4
101.02442	1.0
101.06086	0.8
110.50831	0.7
112.98573	2.1
123.08150	1.8
124.10197	0.8
125.09708	5.9
137.09685	0.8
139.11273	1.3
141.09235	2.5
146.06200	0.8
151.11325	1.1
153.09215	1.8
169.12376	1.3
170.45114	0.8
171.10272	2.3
181.12367	1.3
193.97220	0.8
195.13913	3.4
197.15657	0.9
199.09756	4.3
200.10536	3.5
201.11374	4.1
233.19113	5.7
235.08324	1.6
251.20181	1.8
259.17068	1.6
277.18088	21.2
277.21286	1.7
278.18423	2.1
295.19168	100.0
295.22681	14.7
296.19553	7.5
296.22778	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	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15051	0.4
57.03445	0.8
59.01377	15.7
60.29444	0.3
60.99300	0.6
67.01888	4.3
69.03446	1.0
69.35772	3.1
71.01370	3.2
74.39597	0.3
80.96497	0.5
81.03450	0.9
83.05025	0.9
85.02943	1.0
87.55515	0.3
93.03457	21.5
94.03793	0.5
95.05025	1.1
96.96017	1.0
98.20644	0.9
101.02395	0.4
102.01364	0.3
109.02956	1.1
111.00887	0.7
111.04509	4.7
113.02457	0.4
113.06086	1.0
115.04057	0.4
121.02956	22.7
121.06570	0.3
122.03311	0.6
137.02437	4.1
149.09694	0.4
155.03499	3.4
173.04536	100.0
174.04875	2.8
186.84583	0.4
189.12767	2.3
197.92285	0.3
207.13968	0.3
235.11856	0.7
251.12827	3.0
277.07037	0.5
295.08279	5.3
295.11911	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	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	0.7
68.82114	0.5
71.01388	1.7
71.09674	1.0
73.02946	0.8
76.40253	0.6
85.02954	0.8
89.02434	0.7
90.48880	0.5
91.18389	0.5
101.02462	1.5
107.59817	0.5
117.68563	0.5
127.55708	0.6
139.49976	0.5
161.06137	0.7
174.23538	0.6
175.52257	0.6
205.05083	1.0
235.11806	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	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46061	0.3
59.01266	17.0
59.01602	4.5
59.01784	0.7
59.09837	0.3
61.98749	0.7
70.10120	0.3
71.01316	0.6
71.16267	0.6
85.02832	0.5
96.95885	1.0
101.02371	0.5
111.04345	0.4
114.93275	0.3
161.04492	0.4
167.64915	0.3
171.35350	0.3
181.12265	0.4
183.13887	16.8
184.14252	0.7
195.13885	15.3
196.14229	0.9
213.14946	100.0
214.15266	4.9
223.13168	1.8
235.13158	2.9
237.11142	0.8
253.09427	0.4
265.12949	0.5
267.12198	1.4
277.14896	0.5
277.18259	1.5
279.12131	2.2
280.12582	0.3
295.15329	14.1
295.19223	1.5
295.22687	0.7
296.15741	0.7
298.26086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
55.90532	2.6
57.03459	3.8
59.01107	5.3
59.01386	70.8
59.20365	2.4
61.98835	3.3
68.99570	9.8
69.03454	6.5
71.01392	6.7
71.55872	4.2
81.03431	3.0
83.05023	5.8
85.02959	5.5
97.02949	29.1
101.02436	2.9
102.05587	2.5
110.78217	2.7
111.04513	3.1
112.98545	10.6
113.02479	3.0
123.08173	7.7
125.09736	3.6
151.11331	5.3
157.23000	3.4
163.11261	7.3
171.10298	19.6
179.14410	5.6
193.08716	6.5
193.12390	6.7
194.09494	9.0
195.13977	5.4
197.75104	2.8
209.11801	3.6
213.90529	2.9
223.13371	7.0
227.12801	4.5
233.15379	4.2
233.19113	9.9
235.08272	7.3
251.16563	5.7
253.09151	3.4
277.18109	100.0
278.18463	9.0
295.15891	4.9
295.19153	92.3
295.22495	12.1
296.19424	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	295.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53199	4.6
69.53497	1.4
69.70451	0.6
70.31486	0.7
70.48764	0.7
71.01379	32.6
89.02460	1.1
89.03846	0.7
105.86599	0.7
115.00370	100.0
116.00696	1.5
117.41230	0.7
125.91206	0.7
171.01517	1.3
196.99397	1.3
197.99417	0.7
241.28954	0.7
263.02908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97730	0.9
59.01374	2.4
71.01380	31.8
71.01776	1.9
71.02435	1.7
89.02445	2.8
93.42017	1.1
101.02507	1.1
115.00372	100.0
116.00732	1.2
118.44852	1.0
125.15547	0.9
157.54712	1.0
234.98758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70083	1.4
53.75766	1.7
59.01390	2.0
60.24920	1.4
65.39632	1.3
69.34398	13.6
69.34745	2.8
71.01389	1.5
96.14731	1.5
109.06570	2.1
121.10194	1.9
134.37444	1.8
150.90321	1.5
171.10295	2.4
183.13896	28.3
195.13919	11.6
205.12309	2.0
211.13373	8.8
223.13393	12.6
228.13663	2.0
256.13266	2.9
265.21649	2.3
275.20178	19.0
276.20447	2.3
293.21234	100.0
294.21686	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01369	0.6
60.80522	0.3
61.98808	0.8
68.99567	4.6
71.01373	0.8
71.55517	0.3
72.07193	0.3
84.99327	0.5
96.96011	9.4
112.98562	6.2
121.32235	0.3
146.00418	0.3
156.97726	0.9
177.09238	0.4
192.11479	0.7
193.15990	0.5
207.13921	0.4
220.14659	4.6
221.15440	8.9
222.15598	0.6
223.13474	0.4
227.18501	0.3
236.10498	7.2
237.10887	0.6
275.20187	0.6
293.18158	10.0
293.21487	4.4
293.24829	100.0
294.18106	0.8
294.21884	0.3
294.25153	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	294.1709
Annotation	Serratanidine
Peak:m/z	Relative Intensity
51.22647	0.5
53.36023	0.5
59.01374	4.6
61.98817	1.3
62.56540	0.5
67.95748	0.5
71.01376	0.6
71.15976	1.1
83.05030	0.8
85.02932	1.3
85.06572	2.6
105.98140	0.5
134.09747	1.7
146.09744	2.0
152.62129	0.5
162.12888	6.6
164.14426	16.2
165.14766	1.0
172.11305	1.0
190.12355	28.1
191.12683	2.2
206.15445	2.4
208.13408	31.9
209.13721	2.0
214.15971	0.6
232.17041	44.0
233.17508	3.6
250.18021	2.4
276.16003	18.0
277.16309	1.2
294.17072	100.0
295.17444	8.7
296.81992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
64.22058	0.5
69.07951	0.4
69.87980	2.0
70.47111	0.5
98.19976	0.9
119.73663	0.5
141.09090	0.7
190.24358	0.5
195.13898	9.9
196.14571	0.9
205.12479	0.9
211.13510	0.6
223.13396	8.4
224.14090	0.5
228.13582	1.2
239.12662	0.6
242.15123	0.5
249.44533	0.5
256.13138	5.7
272.34210	0.5
275.20139	7.7
275.22821	0.7
293.21216	100.0
294.21545	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37977	1.0
51.95095	0.9
52.70450	1.0
59.01355	1.3
66.00333	1.0
70.16218	1.6
105.61118	0.9
121.10233	29.1
125.09740	1.1
171.10258	52.9
172.10529	1.4
177.16399	1.1
183.10277	1.4
183.13895	2.0
185.11815	2.4
231.21158	4.2
235.16949	1.8
256.80252	1.1
275.20142	100.0
276.20547	6.4
293.21198	79.4
294.21555	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.1
59.01360	2.7
69.24374	4.9
69.24794	3.6
78.39669	1.0
80.88367	1.2
98.19945	1.9
113.09728	14.1
121.10239	13.2
125.09727	1.1
139.11250	1.5
155.10672	0.9
167.10765	1.7
171.10254	30.4
172.10597	1.1
179.10794	1.2
185.11842	2.5
195.13892	2.2
209.84383	1.1
231.21150	1.5
249.22136	1.5
275.20114	41.0
276.20581	2.3
293.21191	100.0
294.21545	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28932	0.5
57.03418	0.7
59.01365	0.9
59.19492	0.6
63.67522	0.6
69.84535	2.9
72.99329	0.7
80.15508	0.5
96.96008	11.1
113.09710	0.8
121.10258	0.7
125.09677	1.0
139.11281	3.4
153.12830	1.5
171.10266	1.3
191.18036	2.9
194.39355	0.6
195.13835	0.7
220.14618	1.0
221.15413	2.5
223.13301	1.1
235.16821	0.6
236.10530	1.1
247.20651	3.1
275.20102	3.7
293.18005	8.3
293.21173	100.0
294.21512	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	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.63526	0.5
57.03448	0.7
59.01370	1.9
59.34510	0.4
61.98817	0.6
67.69926	0.5
68.99569	0.6
69.68682	2.2
69.69113	0.8
71.01382	0.9
95.05022	0.5
96.63946	0.5
98.68843	0.6
111.08175	0.9
112.98545	1.0
113.09753	1.1
124.83784	0.5
173.93703	0.5
179.14413	1.6
184.58112	0.6
195.13907	11.4
205.12312	1.0
221.15465	0.6
223.13385	8.4
223.15402	1.0
224.14246	0.5
228.13751	0.7
231.21249	0.6
256.13156	2.8
272.41452	0.5
275.17181	0.9
275.20135	6.5
293.21231	100.0
294.18350	0.4
294.21567	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54371	0.5
57.03428	0.9
59.01376	2.5
69.03465	0.8
70.45847	0.8
70.50951	0.6
71.01368	0.9
71.05035	0.6
83.05000	0.6
93.07123	0.6
112.98635	0.5
123.08167	1.1
134.22601	0.5
136.09009	0.6
139.11327	1.0
151.11261	2.1
153.12851	1.0
169.12337	2.5
193.16035	1.1
195.17509	0.8
197.11809	37.9
198.12080	2.4
211.13396	0.5
220.14635	1.5
221.15492	3.3
222.18651	3.6
231.21138	1.4
236.10466	2.4
250.21765	3.2
254.66205	0.5
275.20120	25.2
276.20462	1.5
293.21188	100.0
294.21371	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	293.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17625	0.4
59.01376	1.2
64.65848	0.4
67.10104	0.4
69.19751	4.3
71.01375	0.7
79.95712	2.3
85.72707	0.5
94.02776	0.4
96.96011	100.0
98.20727	0.5
112.98557	0.5
113.09747	0.7
121.10204	0.8
171.10236	1.9
181.52238	0.5
192.11516	1.0
193.15962	0.7
195.13904	3.0
205.12410	0.8
220.14645	3.2
221.15445	6.8
223.13405	2.7
233.73666	0.4
235.17073	1.0
236.10535	4.3
237.11290	0.4
237.44440	0.4
249.18367	0.5
249.96855	0.4
256.13190	1.2
265.21573	0.5
275.20135	5.9
276.20630	0.5
293.17932	79.8
293.21252	32.7
294.18219	6.3
294.21600	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56794	1.1
57.79358	1.3
59.01363	4.8
60.52677	1.4
66.96577	1.1
70.70177	3.2
71.01408	1.1
71.05023	7.1
99.57851	1.1
136.73033	1.2
158.61920	1.3
170.89066	1.2
209.15440	2.0
221.15506	1.9
223.16998	5.3
231.21230	2.5
233.15417	1.6
235.17023	41.4
236.17293	2.4
257.19174	1.5
275.20151	43.9
275.71826	1.3
276.20490	4.8
293.21207	100.0
294.21567	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56494	0.2
63.46242	0.3
65.90987	0.3
69.39314	1.3
69.39738	0.7
71.01385	7.8
77.94236	0.3
97.41363	0.3
108.61848	0.3
127.07693	0.6
148.05295	1.2
164.08405	1.3
171.87488	0.3
177.09225	4.4
178.09523	0.3
183.62543	0.3
190.10042	0.4
191.10799	0.4
192.11565	6.3
193.12013	0.5
205.12332	6.1
206.12772	0.4
207.13974	1.3
217.08720	0.4
218.09497	2.0
220.14680	49.4
221.15456	100.0
222.15808	6.6
235.13474	0.7
236.10530	72.7
237.10944	4.9
293.14185	0.9
293.17587	11.8
293.21155	2.9
294.17825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84080	0.4
55.86474	0.3
61.06080	0.3
61.98820	0.5
71.41732	0.6
76.13269	0.3
79.95735	2.6
80.46073	0.3
95.95245	0.7
96.96016	100.0
97.95961	0.5
146.83664	0.4
161.02406	0.4
168.15327	0.4
207.66360	0.4
220.14723	1.4
221.15479	3.3
236.10536	2.3
293.17935	82.6
294.18283	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	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03430	0.7
57.74435	0.6
58.00575	1.4
59.01379	40.0
66.55186	0.6
69.03408	0.8
69.77116	3.7
71.01376	18.9
71.06274	0.6
72.99306	1.4
73.02947	0.9
83.01348	1.1
85.02966	4.9
85.06592	12.8
87.00873	1.0
89.02441	20.6
90.55998	0.7
91.13836	0.6
95.01381	0.9
97.41500	0.6
101.01791	1.2
101.02434	14.2
113.01717	0.8
113.02446	6.7
113.06093	5.0
115.07639	1.3
119.03502	8.9
119.05000	0.8
127.07662	1.8
128.03526	0.8
131.03497	1.1
131.07138	55.8
132.07481	1.2
143.03526	0.6
145.02971	0.7
173.08153	1.4
179.05611	1.8
293.12405	100.0
294.12766	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	2.0
59.01379	42.1
60.95700	0.7
69.22967	6.5
70.31380	0.6
71.01003	1.4
71.01380	19.7
72.00911	1.0
72.99315	1.5
73.02930	1.0
83.01412	1.7
85.02945	4.8
85.06593	12.1
87.00880	1.7
89.02444	20.3
95.01379	1.4
95.60922	0.8
99.00917	0.7
101.02443	12.5
113.02451	8.1
113.06090	5.4
115.07645	1.8
119.03500	7.4
119.05047	1.1
127.05122	1.5
127.07665	1.7
128.03522	8.1
131.07141	56.0
132.07477	1.1
143.03464	0.8
147.04524	3.0
164.07152	5.9
173.08189	0.9
179.05609	1.1
199.21233	0.8
202.07988	0.8
257.09433	1.6
275.10400	2.0
293.12424	100.0
293.21198	2.2
294.12796	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	292.1918
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
59.01379	4.0
69.03449	0.7
71.01379	1.8
71.56079	0.7
80.09609	0.6
96.95983	1.0
111.08145	1.0
112.08513	0.6
121.10235	1.4
139.00328	0.7
152.91742	1.6
156.13925	100.0
157.14278	5.7
163.04128	0.6
164.04320	0.8
170.69341	0.6
171.10263	3.2
185.11847	0.6
194.92831	1.3
195.13893	1.9
200.12962	4.6
218.81290	0.7
220.14661	5.5
221.15454	10.8
223.13388	1.7
232.87440	1.0
233.10373	1.0
236.10542	7.9
236.70561	0.6
248.21153	1.1
256.12918	0.9
264.20517	0.6
274.18939	1.2
275.20145	6.1
292.19980	19.1
293.17877	0.9
293.21185	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
58.00587	0.8
59.01378	40.8
60.01723	0.7
61.15290	0.5
70.40027	1.2
70.40401	2.1
71.01379	19.7
72.99304	1.5
73.02930	0.7
78.95258	0.6
81.61670	0.8
83.01379	1.4
85.02960	4.6
85.06583	15.6
85.82542	0.6
87.00875	1.0
89.02441	20.6
95.01381	1.5
97.08392	0.6
98.19985	0.7
101.02437	13.7
101.03100	1.0
109.88189	0.6
113.02436	8.2
113.06065	3.8
115.07658	2.0
119.03511	8.6
121.43915	0.6
127.07610	1.7
131.07137	60.3
132.07463	1.9
143.03560	0.7
161.04616	1.0
173.08145	1.7
200.30452	0.6
219.37863	0.6
253.99977	0.6
293.12411	100.0
294.12811	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	292.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61858	1.5
56.64050	1.6
59.01369	7.2
62.00481	1.7
67.01875	3.2
67.84267	2.0
69.48298	2.5
69.48711	8.8
70.02993	1.6
71.01385	6.3
72.00904	4.6
72.04555	2.9
79.95763	4.2
80.96516	3.3
82.02983	76.0
83.01389	9.4
84.04533	8.8
85.02956	5.1
87.00870	2.0
93.03426	2.1
94.02979	5.8
98.02477	22.1
99.00895	3.1
100.04068	13.6
101.02428	3.3
101.87801	1.6
110.02494	2.4
111.03263	18.1
113.02412	2.3
117.03502	1.9
118.06608	5.7
119.05034	9.9
120.05383	8.2
126.01941	1.7
127.00378	7.5
131.05026	2.2
144.08203	2.9
145.02969	11.9
146.03296	10.8
147.04535	35.0
156.08189	1.7
161.04564	1.5
163.03995	6.1
164.04356	7.7
164.07155	43.5
184.07681	26.9
186.09244	11.5
190.99429	1.6
202.08737	21.1
230.08238	24.0
246.07715	100.0
247.08002	7.5
248.09297	3.9
253.09265	1.6
261.62662	1.7
274.07190	44.3
275.07352	4.1
292.08762	26.4
292.19235	15.4
293.06659	2.4
293.21262	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	291.2328
Annotation	Grevillol
Peak:m/z	Relative Intensity
59.01370	1.3
59.01653	0.3
59.13586	0.3
61.98814	0.7
71.01379	0.4
71.12800	0.7
72.18501	0.4
85.74202	0.3
111.08125	0.4
112.98530	0.8
119.05005	0.9
121.02918	0.6
121.10192	0.4
149.00975	0.4
163.03958	1.0
165.12828	0.9
209.01245	0.9
209.04492	0.8
217.07037	0.5
222.34933	0.4
238.64357	0.4
247.20667	0.6
289.07373	0.6
291.09067	24.0
291.19702	10.0
291.23230	100.0
292.09097	3.3
292.20175	0.9
292.23584	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	292.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61858	1.5
56.64050	1.6
59.01369	7.2
62.00481	1.7
67.01875	3.2
67.84267	2.0
69.48298	2.5
69.48711	8.8
70.02993	1.6
71.01385	6.3
72.00904	4.6
72.04555	2.9
79.95763	4.2
80.96516	3.3
82.02983	76.0
83.01389	9.4
84.04533	8.8
85.02956	5.1
87.00870	2.0
93.03426	2.1
94.02979	5.8
98.02477	22.1
99.00895	3.1
100.04068	13.6
101.02428	3.3
101.87801	1.6
110.02494	2.4
111.03263	18.1
113.02412	2.3
117.03502	1.9
118.06608	5.7
119.05034	9.9
120.05383	8.2
126.01941	1.7
127.00378	7.5
131.05026	2.2
144.08203	2.9
145.02969	11.9
146.03296	10.8
147.04535	35.0
156.08189	1.7
161.04564	1.5
163.03995	6.1
164.04356	7.7
164.07155	43.5
184.07681	26.9
186.09244	11.5
190.99429	1.6
202.08737	21.1
230.08238	24.0
246.07715	100.0
247.08002	7.5
248.09297	3.9
253.09265	1.6
261.62662	1.7
274.07190	44.3
275.07352	4.1
292.08762	26.4
292.19235	15.4
293.06659	2.4
293.21262	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76335	0.7
57.03441	2.0
65.03370	0.6
69.34767	5.0
69.35192	1.2
72.60354	0.7
93.07098	1.5
97.06583	2.1
100.77934	0.6
106.61527	0.6
111.08147	0.7
121.10237	13.5
121.81703	0.7
123.08160	0.9
125.09726	7.0
185.11810	11.3
197.11810	2.8
209.11830	1.5
211.13423	2.0
223.13435	0.7
224.60005	0.7
247.20679	1.9
273.18509	1.7
291.19662	100.0
291.81021	0.7
292.19952	6.3
311.69678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11464	18.7
61.98821	81.3
68.99564	29.1
74.13744	17.3
96.20037	16.6
103.09208	16.7
103.46126	20.2
112.98597	57.3
115.92107	24.4
119.04995	86.5
121.02929	21.9
126.59235	19.2
145.02934	64.6
163.04025	100.0
229.08752	24.7
291.08661	25.2
291.19785	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
53.54639	0.8
57.03441	1.0
59.01368	3.3
61.15028	0.9
71.01369	1.2
78.35823	1.0
81.64035	1.0
97.06581	71.3
98.06899	1.6
98.20490	5.2
109.41913	1.0
111.08158	1.2
124.96745	1.1
145.02908	1.3
163.03947	2.0
165.12839	3.2
183.13835	3.6
193.12314	21.6
193.14079	0.7
194.12907	2.1
211.13367	54.1
212.13678	3.6
242.11427	1.1
247.20570	3.1
263.20035	3.3
273.18634	4.8
291.19629	100.0
292.20010	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	291.1963
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.04591	0.5
63.02285	0.5
67.81227	0.5
69.41843	3.8
69.42180	0.7
80.12990	0.4
83.09298	0.5
98.01971	0.5
148.08836	0.6
165.12837	12.0
166.13159	0.8
247.20662	6.1
248.20975	0.8
273.18597	4.1
291.19644	100.0
292.19980	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
59.01383	3.1
63.97428	0.3
70.40282	0.7
70.40677	0.7
71.01395	0.5
71.05026	30.9
72.05357	0.6
83.05037	0.6
85.06607	0.3
94.13497	0.3
97.06592	9.0
109.06593	0.7
111.08175	0.4
121.10242	0.7
123.08145	0.6
133.06578	0.6
151.78654	0.3
157.12292	0.5
163.14934	0.7
165.12869	0.5
181.12323	1.9
193.12378	0.4
193.16040	0.5
195.13925	1.0
205.12238	0.6
207.13921	2.3
209.15424	0.6
219.13884	3.8
226.11015	0.4
233.15482	0.4
235.17053	4.3
247.20715	2.4
272.23297	0.5
273.18677	2.1
291.19669	100.0
292.20035	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	291.0874
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
54.99258	0.3
55.83677	0.3
59.01394	0.8
63.20527	0.3
64.32349	0.3
69.31210	0.3
80.96500	0.6
85.02942	11.3
87.00871	1.5
98.20650	0.8
109.02930	0.4
117.03457	21.9
118.03794	0.6
119.05022	25.0
120.05355	0.9
127.03985	1.8
133.06602	0.6
145.02945	100.0
146.03273	4.2
159.04449	0.4
161.06079	0.4
163.03999	24.7
164.04346	0.8
187.04001	2.9
246.07890	0.5
291.08740	34.8
292.08994	2.3
297.45056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78416	1.3
56.58762	1.6
57.03431	3.3
57.65779	1.3
59.01385	11.3
61.85777	1.4
62.21531	1.6
69.03457	33.3
71.01371	6.7
71.05019	3.9
74.75895	1.7
76.17120	1.4
83.05029	2.8
85.02965	1.6
95.05032	3.5
96.96024	3.1
97.06572	2.9
109.06659	2.3
111.04507	3.7
111.08151	2.1
119.05001	12.0
121.02966	4.0
123.08144	19.4
125.09732	12.2
137.09660	10.1
145.02974	5.2
149.09657	4.2
151.11238	3.6
153.09204	2.8
161.09702	6.0
163.03958	12.3
163.11290	2.1
165.12816	7.3
179.10776	64.3
180.11101	2.9
181.12314	5.7
191.10748	7.4
209.04582	1.6
209.11819	62.9
210.12103	4.1
211.13420	7.6
223.09726	4.6
231.10033	12.6
247.20593	2.3
255.12355	100.0
256.12671	5.4
270.70920	1.5
273.18677	2.1
291.08728	5.2
291.12228	7.9
291.19662	37.8
292.19891	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	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.40826	3.1
70.41194	3.1
71.72928	1.3
77.07676	1.4
134.93202	1.3
211.13396	1.7
212.49362	1.6
291.19769	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51202	1.0
59.01383	1.9
61.98832	100.0
63.56330	0.9
71.56182	1.5
93.03470	2.3
96.96037	1.8
115.00365	1.0
119.05091	1.5
133.02957	3.1
135.04482	1.1
135.34470	1.1
137.02498	1.1
145.02972	1.8
163.03992	2.3
173.04564	2.7
178.02708	1.3
194.07681	1.3
211.13414	2.4
239.12831	1.0
291.19534	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	291.0873
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
50.89807	0.3
59.01378	1.0
64.89219	0.3
66.36584	0.3
70.87749	0.8
78.62183	0.3
80.01958	0.4
80.96532	0.4
81.41724	0.3
85.02946	11.1
87.00878	1.6
117.03466	21.2
118.03812	0.8
119.05022	30.2
120.05361	0.8
127.04031	1.2
133.06520	0.4
145.02950	100.0
146.03297	4.1
161.06059	0.5
163.04005	29.5
164.04263	0.9
165.43246	0.4
187.04007	2.8
188.69962	0.4
232.09430	0.3
254.59621	0.3
291.08737	34.5
292.09036	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	289.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01378	3.8
62.65850	0.4
66.60027	0.4
67.01893	4.1
69.03435	0.7
71.01377	3.3
74.02479	0.8
80.38419	0.4
81.03458	1.4
83.05001	0.7
85.02939	0.8
87.00879	1.0
93.03451	25.1
98.19908	1.6
108.07188	0.4
109.02905	1.2
111.00852	1.2
111.04509	4.7
115.07643	36.1
116.07992	0.8
127.04090	0.4
137.02443	5.5
155.03468	5.2
173.04533	100.0
174.04889	3.4
203.08203	0.9
210.39546	0.4
229.14424	0.7
229.48289	0.7
245.09364	1.0
247.15466	3.6
289.07846	0.8
289.12918	15.8
289.16251	1.2
290.13168	1.0
291.29214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32444	0.5
57.03445	0.8
59.01381	100.0
60.01719	0.8
64.14485	0.4
64.16920	0.6
64.99450	0.5
65.09421	0.6
69.72329	2.9
71.01398	1.5
73.02943	1.2
83.01385	0.9
85.02967	0.9
93.03492	0.9
95.01452	0.5
95.75253	0.5
96.95979	0.7
97.06586	1.0
99.08160	9.1
109.06589	1.4
111.08157	1.4
113.02448	0.6
113.88647	0.5
115.07652	0.6
121.03007	0.5
127.07670	1.3
129.09219	28.2
130.09586	0.6
145.12233	0.7
164.75180	0.5
169.12305	0.6
171.10184	0.8
173.04532	2.2
180.07874	3.0
180.58072	1.1
187.13434	1.3
191.05499	0.8
229.14438	59.8
230.14815	3.0
247.15521	5.7
248.15810	0.6
285.03946	1.0
289.16534	24.7
290.16821	1.7
295.89621	0.4
307.69781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03447	0.8
57.54052	0.3
59.01372	0.9
65.03967	1.8
66.20204	0.3
67.61992	0.3
69.03431	0.4
69.66702	0.3
70.88708	1.0
71.01386	0.3
73.02915	0.4
83.04993	0.5
97.06586	2.7
106.04237	0.9
107.71912	0.3
109.06547	0.8
119.08660	86.2
120.08992	3.6
123.08184	1.6
125.09713	16.3
126.10145	0.4
145.06584	0.8
159.08102	0.9
160.08932	1.1
169.08611	0.5
192.04338	0.4
192.06207	0.3
227.18108	0.4
233.15433	9.1
234.15755	0.5
245.19127	1.8
271.16986	1.4
289.18073	100.0
290.18433	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	289.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37778	2.5
56.25904	2.6
59.01376	8.3
61.39108	2.6
64.30155	2.7
65.17528	2.5
66.79033	2.6
69.03467	3.1
70.94675	3.8
70.95000	4.2
71.01366	5.6
74.32955	2.3
75.00882	3.5
85.02951	5.9
87.00879	100.0
89.02441	4.1
95.04992	3.3
96.35931	3.5
97.06589	9.6
98.03751	3.3
99.08186	3.1
107.05023	5.8
108.02165	3.1
109.06561	3.9
111.08145	7.4
119.23483	2.4
123.04481	6.8
125.06033	5.7
127.07684	16.8
129.01939	11.2
137.06018	6.0
139.07663	21.2
147.02994	9.9
149.06064	8.6
150.24123	2.7
153.05605	3.8
155.07146	32.4
167.07146	34.4
173.04453	3.0
182.79575	2.7
186.70766	2.5
215.62721	2.9
222.96426	2.4
227.09180	7.5
289.09396	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	288.1604
Annotation	Lycoramine
Peak:m/z	Relative Intensity
55.35955	0.2
59.01358	0.6
65.03946	0.3
65.14079	0.2
69.43858	1.2
69.44265	0.5
81.03459	1.2
92.05057	1.1
93.03448	1.0
108.02171	0.5
108.04560	4.3
109.02946	3.9
109.06544	0.4
111.04370	0.2
121.02946	0.4
124.01698	0.3
134.02477	35.6
135.03290	6.9
136.04037	36.7
136.13931	0.2
137.02466	1.4
137.04413	0.9
140.50330	0.2
148.04039	1.0
149.04784	1.4
176.03517	4.8
177.04221	0.7
190.05142	0.8
204.06738	0.3
232.30154	0.3
235.41995	0.2
242.35463	0.2
255.82164	0.3
270.14868	0.3
288.16031	100.0
289.15997	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	289.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85993	1.3
59.01371	3.6
71.01382	47.8
72.99292	1.7
83.01393	1.3
84.37971	1.4
85.02941	1.9
87.00877	6.5
91.64850	1.3
96.96024	1.9
96.96957	1.9
99.00891	6.0
105.18736	1.2
110.02468	2.4
111.00867	2.0
111.02020	1.8
112.98808	13.3
115.00375	100.0
116.00742	2.3
124.81912	1.1
124.98776	4.4
132.98235	1.8
133.01718	1.5
142.96646	33.5
142.99863	78.2
144.00192	1.5
149.59235	1.3
156.98267	1.3
157.95325	3.6
158.99597	1.2
160.97685	11.7
173.00911	24.8
174.09570	1.1
174.99252	9.2
175.96359	1.9
184.97675	57.6
188.05319	1.4
198.99225	3.0
200.05569	1.2
202.98737	44.6
203.98946	1.5
226.98692	2.5
243.06203	3.2
244.99718	3.7
246.97827	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
51.53097	0.4
54.96776	0.4
59.01379	8.0
64.46651	0.5
71.01374	1.5
71.53925	0.5
73.52037	0.4
74.71478	0.4
82.06604	0.4
88.04060	0.9
90.97131	0.9
115.00388	1.5
128.07187	0.8
130.08737	100.0
131.09081	2.2
132.02060	0.6
132.98186	1.1
141.98221	0.7
142.96611	1.0
142.99883	1.8
160.97673	1.2
162.95564	0.6
170.00116	0.9
174.99153	1.0
184.97693	1.2
187.98718	0.7
197.99530	0.7
202.98763	1.5
225.99071	0.4
227.97806	1.2
244.05006	2.7
246.06618	2.8
256.00192	0.6
288.07657	65.5
289.02475	0.5
289.07959	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	287.15
Annotation	Crispine C
Peak:m/z	Relative Intensity
52.36510	2.4
57.03451	3.4
58.32063	2.2
59.01378	33.2
71.55463	2.6
71.56663	2.2
72.82680	2.3
76.55447	2.4
93.03448	3.2
94.09119	2.3
96.96011	7.0
97.06596	4.9
112.60902	2.1
124.07635	2.8
151.11258	15.4
165.12808	19.5
167.27097	2.0
169.12334	98.6
170.12682	4.2
171.10181	2.7
173.04514	3.2
183.13884	100.0
184.14220	6.2
195.10286	4.4
199.13390	25.3
208.87808	2.3
209.11862	4.4
211.13422	3.3
213.11304	22.5
227.12880	55.5
228.13040	3.6
245.13914	97.7
246.14119	5.6
251.13084	3.7
275.49808	2.9
287.15039	38.8
287.22302	9.5
287.61124	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	287.1651
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
57.03435	1.1
59.01363	3.6
61.98835	0.9
62.29332	1.0
65.03952	2.0
69.75172	4.9
75.45070	0.9
78.27496	0.9
79.12860	0.8
97.06580	1.3
102.04751	3.9
107.58578	0.9
115.05508	3.3
117.07101	93.9
118.07430	3.8
121.06554	1.7
123.08119	0.9
125.09737	11.9
132.18672	1.0
147.08148	1.8
160.08914	2.4
160.96121	1.0
171.08075	1.1
179.07042	0.9
186.10468	1.1
187.14911	1.1
231.13873	3.2
243.17540	2.5
287.16513	100.0
288.16855	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	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
69.97504	1.4
84.18472	0.3
97.06599	0.5
98.20603	0.7
99.08167	1.5
129.09171	0.4
141.12892	1.6
142.13121	0.4
155.14436	0.5
239.20071	0.7
241.21753	0.9
242.39250	0.4
269.21228	2.9
285.20743	1.8
287.22266	100.0
288.22610	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	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07385	0.7
57.03442	1.4
59.01368	2.1
60.88826	0.7
63.80515	0.6
69.03465	0.8
69.49772	2.2
69.50202	2.6
71.01399	1.0
72.83884	0.7
73.74671	0.6
75.00898	0.9
81.03461	1.7
83.05022	8.4
95.05035	4.5
97.06587	29.4
98.06902	1.0
107.47049	0.9
109.06599	1.1
133.10220	4.8
135.04504	0.8
149.09718	4.9
151.11282	100.0
152.11607	4.3
183.13892	30.5
184.14270	0.9
188.51308	0.7
195.10231	4.3
196.67169	0.7
211.13402	0.7
227.12947	2.6
255.12364	88.9
256.12726	4.7
287.14938	15.0
287.18707	4.1
287.21902	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	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20475	0.3
56.46767	0.4
59.01382	2.8
62.51584	0.3
69.03458	0.4
69.37852	2.0
69.38262	0.8
70.60627	0.3
71.01384	13.4
75.00879	0.3
79.85822	0.3
83.05035	0.5
87.00886	0.5
89.02444	2.5
107.71157	0.4
108.06863	0.3
108.68385	0.3
125.02468	0.5
141.09253	0.3
151.11278	0.8
153.09227	0.4
153.12868	1.6
165.64209	0.3
169.12332	6.0
173.04587	0.5
179.10796	0.5
195.01372	0.3
197.11832	100.0
198.12148	4.0
199.13400	0.9
209.11832	0.5
217.42009	0.4
223.13568	0.3
224.02139	0.3
225.11267	0.6
227.12924	5.2
229.14577	0.8
233.11940	0.5
241.14339	0.6
251.12923	1.0
259.06302	0.4
269.14090	0.5
287.15039	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.59984	0.9
59.01352	2.3
61.14243	0.8
61.98838	4.4
65.68298	0.9
94.99392	0.9
117.07111	7.1
118.05119	1.2
121.02947	1.2
122.03674	1.1
135.04530	35.4
173.31569	1.0
240.23303	3.6
242.21268	1.3
255.10201	2.0
268.22888	1.2
276.57166	0.9
286.04257	2.2
286.23877	100.0
287.12860	15.7
287.16455	6.0
287.24347	7.1
306.21786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	IRIFLOPHENONE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
59.01382	0.4
67.30299	0.2
70.30532	0.4
70.30927	0.3
81.83398	0.1
98.19904	0.3
112.38916	0.2
115.30367	0.2
119.05029	0.3
143.08662	0.2
148.07677	0.8
161.02435	0.6
171.04437	0.2
172.05273	0.6
173.06038	0.8
174.03172	0.2
175.04028	0.8
181.06503	0.3
184.72238	0.2
185.06033	0.8
186.06833	0.8
187.03979	0.5
188.04395	0.2
189.05522	1.3
196.05388	0.2
197.06029	1.6
198.06830	0.7
199.03952	0.3
199.07631	2.9
200.08397	1.8
202.02893	0.2
203.03471	0.4
203.07138	1.6
209.06114	0.3
211.03885	0.2
211.07684	0.3
212.04688	1.0
213.05545	0.8
215.03491	1.0
218.05873	0.2
227.03531	2.7
227.07094	3.6
228.07872	1.0
229.04974	1.3
230.05763	0.9
231.06587	0.4
232.07384	0.6
234.07132	0.2
237.05394	0.3
240.04257	7.8
241.04993	4.5
243.02887	0.8
243.06598	0.6
243.17520	0.3
244.07402	0.2
255.06590	16.5
256.06961	1.0
257.04492	0.8
257.08209	1.4
258.05328	2.7
259.09705	0.5
262.04666	0.5
269.11844	0.7
272.03485	0.4
272.06805	0.7
281.81573	0.2
287.09222	100.0
287.21652	0.9
288.09555	8.5
304.06012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.3
58.00592	1.3
59.01377	6.7
61.98829	1.6
71.56557	1.6
72.99297	1.8
83.05045	1.5
85.06606	1.4
95.05044	1.5
97.06598	13.3
101.06077	100.0
102.06436	1.8
113.06067	2.9
115.07634	9.1
123.04427	1.3
123.08144	6.1
125.09717	93.4
126.10053	3.9
127.11297	4.2
132.85963	1.2
133.02965	3.6
134.82076	1.1
151.00375	1.5
155.10751	2.8
165.09219	2.4
169.08691	5.4
171.10249	7.2
173.04623	1.2
183.10242	1.4
183.13893	1.3
187.09744	13.0
192.99225	1.1
199.09663	2.2
201.11296	64.7
202.11696	3.1
209.24420	1.1
211.13332	10.6
213.14952	3.1
217.05064	1.2
223.16917	6.3
227.16637	2.4
230.31091	1.1
249.12648	1.2
249.14966	3.3
257.11801	1.3
257.17587	13.8
267.12836	1.6
267.16000	21.4
285.04050	15.9
285.17017	14.7
285.20010	1.7
285.27121	1.5
286.04248	1.6
286.17401	1.8
289.31329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01723	0.7
71.01383	2.8
71.25791	0.7
83.05029	4.6
89.02443	3.5
93.56585	0.4
101.02449	0.9
105.64120	0.4
113.02497	0.6
119.03514	1.8
126.60988	0.4
176.80522	0.5
179.05640	0.9
192.34062	0.4
207.15045	0.5
225.16069	13.7
226.16441	0.7
237.48181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2069
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01376	4.8
61.98818	2.3
69.30076	1.7
69.30501	4.4
69.78502	0.7
72.96456	0.7
78.95901	1.6
97.66740	0.7
98.19920	1.2
111.04542	0.7
123.00943	0.8
133.02876	0.8
135.20290	0.6
152.91762	1.0
211.13405	1.1
223.20648	61.2
224.21016	3.0
241.21788	1.7
267.19635	34.8
267.35330	0.7
268.20029	2.1
285.04080	5.2
285.20697	100.0
285.27161	2.4
286.21033	8.1
302.09412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10376	0.2
57.85554	0.2
59.01371	0.7
61.97902	0.2
70.58133	0.7
78.95902	34.8
96.96957	100.0
158.81122	0.2
168.99074	1.1
181.15849	0.2
191.19202	0.2
284.26636	0.4
285.04404	0.4
285.07382	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	285.1343
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
56.26933	0.5
57.03436	1.5
59.01386	5.2
60.04360	0.5
65.00331	0.9
70.54257	0.5
70.87371	0.8
70.87749	1.0
71.01380	1.0
72.02167	2.3
75.00400	0.4
75.00914	0.6
83.05017	0.8
85.02951	0.6
98.03719	0.8
101.47393	0.5
106.70828	0.5
107.01382	0.8
107.27068	0.5
108.00696	0.4
116.26093	0.5
117.45787	0.5
125.09677	1.6
133.02934	4.3
145.02751	0.5
149.02431	0.8
151.00371	1.7
153.12860	4.4
169.12317	3.4
169.16106	0.7
179.14421	1.1
181.12328	7.2
182.12770	0.6
188.04845	0.8
197.11876	0.7
197.15468	1.1
199.04092	0.9
199.13411	0.8
205.12294	1.0
209.11810	1.0
211.13327	1.9
213.05643	0.6
223.13367	10.7
241.14442	100.0
242.14804	5.4
249.11102	0.9
285.04037	23.3
285.13498	1.6
285.16815	0.9
285.27307	0.8
286.04401	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01360	1.0
54.10365	0.9
57.03446	3.4
58.29783	1.0
59.01382	6.9
61.98827	1.3
68.92466	0.9
69.27673	2.2
69.28091	6.9
73.02959	0.9
73.47012	0.8
83.05043	2.4
84.02171	1.0
85.06622	1.7
93.03457	2.8
97.06599	11.3
98.20612	1.7
101.06081	100.0
102.06428	2.8
108.02165	1.0
113.06094	3.1
115.07658	9.3
119.05013	6.5
121.02959	4.5
123.04518	1.1
123.08154	5.1
125.09725	88.9
126.10062	1.7
127.11271	5.8
133.02939	4.5
133.06723	1.2
135.04527	1.9
151.00400	1.0
155.10823	2.3
157.12233	0.9
163.07523	1.1
165.09169	2.4
169.08702	3.7
171.10275	11.2
183.10315	1.5
183.13872	1.9
184.27213	1.1
187.09746	12.0
194.92694	1.1
199.09837	1.1
201.11320	67.6
202.11716	2.3
209.11859	1.8
211.13399	19.1
213.12814	1.6
223.16969	6.8
227.16612	1.5
249.15016	2.0
257.11832	19.6
257.17554	14.0
258.12207	2.3
267.15994	18.7
285.04019	22.7
285.07355	1.6
285.08060	1.8
285.11255	19.6
285.17056	21.4
285.20349	2.1
285.27026	3.0
286.04504	1.9
286.11493	1.3
286.17419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
56.38427	0.3
59.01366	1.2
63.02387	0.9
63.76451	0.2
65.00319	2.5
69.31332	0.5
69.31744	1.8
71.01366	0.4
71.05007	0.4
75.05374	0.2
77.03957	0.3
83.01408	1.3
93.03413	0.3
105.03446	0.6
106.34779	0.3
107.01393	4.4
108.83978	0.3
121.02951	0.7
133.02950	25.0
134.03314	0.7
143.05032	0.3
149.02422	3.4
151.00357	7.8
152.00697	0.7
153.12939	0.3
171.04492	0.5
175.03983	4.5
181.12315	0.3
187.04033	0.4
197.06000	0.3
198.03232	0.6
199.03990	4.0
201.01939	1.2
201.11314	1.1
211.03986	0.7
211.13339	0.3
213.05560	0.8
213.11401	0.3
214.02699	0.3
215.03522	0.7
217.05026	1.7
223.04024	0.5
225.11421	0.4
229.05089	0.6
236.88501	0.3
239.03439	0.3
241.04982	1.5
241.14449	2.5
243.03021	1.0
243.12387	0.5
257.04480	0.6
267.15970	0.3
285.04025	100.0
285.16980	0.9
285.26779	0.3
286.04379	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	285.0395
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.01538	0.1
58.13294	0.1
59.01375	0.2
63.02400	2.2
65.00327	2.5
65.38480	0.1
66.45765	0.1
67.01878	0.1
69.30890	0.3
69.31310	0.4
69.46819	0.1
77.03998	0.1
77.13647	0.1
81.03431	0.1
83.01384	1.4
91.55157	0.1
93.03477	0.5
95.01408	0.1
105.03467	0.9
107.01397	4.5
109.02949	0.9
111.04526	0.3
115.05539	0.1
118.39613	0.1
119.01517	0.1
121.02146	0.1
121.02956	1.3
123.00887	0.1
123.04580	0.1
131.05014	0.1
132.02211	0.4
133.02959	22.4
134.03290	0.7
135.04520	0.1
135.40015	0.1
143.05022	0.4
145.02977	0.1
147.04576	0.2
148.01663	0.1
149.02434	3.2
150.02777	0.1
151.00371	7.7
151.03905	0.2
152.00697	0.3
155.03700	0.1
157.02971	0.1
159.04553	0.2
161.06152	0.1
163.74968	0.1
167.05029	0.1
169.01509	0.1
169.06642	0.2
171.04498	0.7
173.02390	0.1
173.04573	0.9
173.06111	0.3
174.03171	0.2
175.04010	4.2
176.04335	0.2
177.01932	0.4
179.10815	0.2
179.97453	0.1
183.04530	0.2
185.06114	0.6
187.03981	0.3
189.01851	0.1
189.05576	0.3
195.04572	0.1
196.05302	0.2
197.02440	0.1
197.06079	0.6
198.03185	0.6
198.07172	0.6
198.57205	0.1
199.04008	3.9
200.04382	0.2
201.01917	1.6
201.05496	0.1
211.04048	0.4
212.04828	0.2
213.05560	0.9
215.03551	0.9
217.05042	2.4
218.05518	0.1
223.04025	0.4
226.02750	0.3
229.05040	0.5
239.03558	0.3
240.04227	0.3
241.05035	1.5
242.02205	0.2
242.05428	0.1
243.02980	1.0
257.04501	0.7
267.02927	0.5
284.03412	0.1
285.04050	100.0
286.04382	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	283.1549
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
57.03444	2.9
59.01377	49.9
60.06481	1.3
69.03448	2.2
69.26492	4.4
69.26924	6.5
71.05024	1.4
81.57967	1.1
92.32217	1.2
98.95563	1.1
101.02415	1.8
147.87050	1.2
163.06078	3.2
167.10725	4.0
179.10793	2.0
179.14395	5.5
195.13872	10.9
196.14093	1.4
201.02469	2.1
205.12305	11.2
221.15456	38.3
222.15916	2.6
223.13376	96.3
224.13686	5.4
239.16504	34.8
240.16875	2.5
265.14404	14.4
268.03763	1.6
283.05945	2.3
283.08823	3.7
283.15497	100.0
283.26407	80.5
284.03250	2.8
284.15891	6.5
284.26816	3.6
303.82761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
58.09148	0.7
59.01377	100.0
60.01712	0.9
61.98816	0.8
69.40463	5.1
70.20041	0.6
71.01389	2.6
71.65911	0.6
75.00863	1.0
85.02934	1.3
89.02466	0.7
96.65671	0.7
96.96029	1.6
97.02948	0.7
101.02448	1.6
102.98578	1.4
121.06557	0.9
152.98322	2.4
156.97812	0.7
163.06107	1.7
165.09207	1.6
171.42337	0.7
173.04553	1.4
209.11823	11.8
223.08318	0.9
231.45692	0.8
255.02945	5.4
268.03671	1.1
277.31607	0.7
283.02490	3.1
283.05756	1.2
283.11273	0.9
283.15518	2.7
283.26410	48.8
284.03143	1.4
284.26727	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.36105	0.4
56.42457	0.4
58.50100	0.4
59.01375	3.1
64.97516	0.4
66.02714	0.4
70.87638	0.7
70.87980	0.8
75.16074	0.5
82.41483	0.4
85.61015	0.5
91.84602	0.4
107.05024	100.0
108.05356	2.9
123.04572	0.5
144.78860	0.4
147.08109	0.5
163.11278	98.1
164.11592	4.2
181.90016	0.5
201.02478	1.1
223.08211	0.5
283.17020	99.4
283.26334	19.4
284.17337	7.4
284.26645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.061
Annotation	Genkwanin
Peak:m/z	Relative Intensity
59.01318	11.3
59.01645	1.0
63.02347	0.7
65.00282	0.5
71.56710	0.8
83.01328	1.1
85.43412	0.4
87.50472	0.4
97.02941	0.5
101.02430	1.0
107.01324	1.3
117.02649	0.6
117.03436	4.7
121.02889	0.5
125.02314	0.5
148.01680	1.0
151.00368	3.3
153.10893	0.5
163.06085	2.8
165.01822	1.1
167.04967	0.5
171.04546	1.2
172.05232	0.8
184.05132	0.5
195.04532	0.5
196.05234	1.3
200.04706	0.5
201.02527	4.7
201.11386	0.6
211.03928	1.8
212.04697	1.2
223.08087	1.2
239.03510	3.3
240.04268	3.7
255.02951	1.0
265.17972	1.2
267.02994	2.2
267.85568	0.5
268.03738	100.0
269.04120	6.2
283.06107	99.0
283.08945	1.5
283.09598	2.0
283.12943	1.4
283.19345	6.3
283.26385	48.6
284.06427	5.6
284.26685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	61.5
61.98838	6.0
69.00507	2.8
69.36959	5.9
69.37354	20.1
71.01376	17.5
73.02942	3.4
75.00871	66.7
84.49241	2.5
85.02964	7.8
89.02436	12.8
96.95993	3.4
101.02435	12.7
103.00368	100.0
104.03528	8.9
110.98562	3.0
113.02435	5.9
115.00336	5.2
121.05090	3.6
129.01953	4.4
150.04184	5.3
151.02643	4.7
161.04495	6.8
164.80856	3.1
188.39648	3.1
212.74861	3.7
223.08160	15.3
232.31238	3.2
243.05058	3.0
283.10492	6.6
283.26462	12.0
284.07803	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.33424	0.2
59.01372	1.2
63.62075	0.3
66.00975	0.8
69.43803	0.8
69.44226	1.0
75.00893	0.3
76.61942	0.2
78.00980	0.3
82.04124	0.6
89.89053	0.2
96.35883	0.2
100.49506	0.2
101.02456	0.3
107.03652	4.0
108.02039	9.6
118.02522	0.3
126.03096	3.7
133.01569	29.9
134.01935	0.4
147.19749	0.3
150.04211	100.0
151.02736	0.4
151.04671	1.6
164.05823	0.3
219.99165	0.3
257.18140	0.2
278.00125	0.3
282.08429	31.6
283.08701	1.2
283.26480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1757
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
55.57373	1.7
57.03440	3.2
59.01377	59.9
61.98834	4.1
67.11134	1.6
69.03444	7.4
71.01399	2.8
71.56295	3.0
80.02689	2.7
81.03467	1.9
83.05033	5.5
85.02962	3.4
87.00848	1.8
91.05547	3.9
93.03456	2.8
95.05012	2.8
96.96024	3.9
97.02947	28.9
97.06583	6.1
101.02426	2.4
102.72300	1.7
107.04987	4.4
109.06582	16.9
118.51051	2.2
123.04492	2.6
123.08170	2.4
125.09695	5.7
137.06129	2.1
137.09744	16.1
138.06816	2.4
142.02747	2.6
161.04506	2.1
162.51302	1.7
163.11282	3.2
165.12868	4.6
171.10283	31.5
173.04587	2.0
175.40712	2.1
181.12312	7.4
193.12318	7.5
201.01494	7.0
202.00859	11.6
207.10258	2.1
211.13377	5.3
219.17506	20.8
221.06558	2.2
239.12949	4.8
245.15466	7.9
263.16510	100.0
263.61237	2.1
264.16879	7.8
281.14398	4.0
281.17569	75.0
281.24744	34.5
281.96747	2.1
282.17847	4.3
300.92776	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.7
59.01379	32.5
60.01760	1.2
61.98834	2.0
67.01887	3.6
69.03442	1.4
70.33181	2.1
70.33540	3.7
71.01382	2.0
81.03450	2.8
83.05033	2.9
86.00689	1.2
93.03452	5.9
95.05012	14.1
97.02946	1.7
97.06567	6.0
101.02404	1.7
106.04222	2.9
107.05006	5.6
109.06586	4.2
113.02434	1.6
121.02950	1.8
123.08186	11.1
125.09727	1.2
135.08157	3.6
137.09705	3.8
147.08200	1.5
149.09705	3.8
161.04549	1.7
161.09694	2.7
163.11276	37.4
177.12865	2.0
187.11270	6.4
205.12315	100.0
206.12636	4.4
217.29681	1.1
221.06602	2.1
237.14934	30.0
238.15305	1.3
245.61525	1.3
249.11320	3.5
271.31323	1.4
281.14191	2.8
281.17386	2.5
281.21368	1.9
281.24829	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98835	2.4
63.83015	0.5
69.65364	0.5
70.15406	2.1
71.01397	1.0
73.02969	0.5
80.96528	0.6
83.01334	0.5
85.02957	1.1
87.15268	0.5
89.89204	0.4
96.96008	1.0
101.02472	1.4
113.02520	0.8
133.01576	0.7
143.89536	0.5
150.04276	2.1
161.04604	1.3
167.02147	0.7
213.48708	0.5
221.06583	0.7
221.10234	3.1
238.76088	0.6
281.07028	0.8
281.24783	3.2
282.08469	0.7
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
54.57033	0.4
59.01378	100.0
60.01718	1.5
61.98827	29.2
71.01381	2.3
71.54648	0.4
71.87786	0.5
72.30999	0.5
72.99308	0.8
73.02933	0.7
74.88564	0.5
75.12840	0.5
80.96526	1.0
83.01389	0.8
85.02973	1.6
92.37318	0.6
96.95988	3.1
101.02430	2.6
113.02496	1.4
124.01514	0.5
131.03563	0.6
135.04524	0.5
150.04320	0.8
161.04582	1.3
167.02090	3.1
182.90938	0.5
191.59644	0.5
192.14549	0.5
194.53651	0.5
197.32256	0.5
216.75011	0.5
221.06686	1.2
221.10176	2.5
281.03983	0.6
281.07043	1.7
281.11209	3.2
281.24844	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	281.0877
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
55.22191	3.5
57.03434	3.2
59.01379	100.0
64.01328	3.3
69.19753	19.7
69.20180	12.5
71.01358	18.5
73.02943	42.9
83.01374	6.3
85.02945	4.3
89.02429	8.0
90.60545	4.2
101.02432	29.6
111.04519	3.5
113.02431	6.6
115.28722	2.9
131.03537	3.6
136.00523	3.3
149.04465	3.9
159.29851	3.1
173.04510	6.2
221.06610	4.6
227.12888	7.8
234.44498	3.4
243.12448	5.6
281.07870	7.7
281.24805	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	281.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54824	3.7
57.35008	3.0
59.01382	100.0
60.75814	3.2
61.98809	4.0
66.10115	3.1
71.01393	27.3
71.56232	5.4
73.02943	39.8
83.01388	7.3
89.02429	6.8
93.03447	10.7
101.02439	32.5
105.32277	3.9
113.02469	7.2
161.02507	4.5
161.04585	6.1
173.04546	3.6
199.13376	4.9
227.12843	7.4
253.54279	3.6
281.04471	15.1
281.10196	3.8
281.13852	3.2
281.24915	32.4
282.25262	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	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
55.50774	0.5
59.01379	1.9
61.35878	0.7
61.88412	0.6
66.42271	0.6
70.93545	1.2
71.01368	0.9
71.04974	0.6
96.95978	1.1
111.56866	0.7
137.55899	0.6
179.14375	1.2
181.12389	0.7
195.13887	12.5
196.14484	1.2
205.12306	0.8
205.16109	0.8
217.19612	1.3
223.13385	8.2
224.14023	0.9
228.13550	1.2
256.13202	4.0
261.18558	8.8
279.19629	100.0
279.23148	21.6
280.19995	8.1
280.23581	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	279.2325
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.56854	0.3
62.36631	0.4
62.81584	0.4
64.51788	0.4
65.30780	0.3
66.65652	0.4
70.80812	0.7
70.81184	0.9
77.41314	0.4
92.80373	0.4
139.15913	0.3
279.23254	100.0
280.23572	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	280.1555
Annotation	A 75943
Peak:m/z	Relative Intensity
50.59037	0.7
50.97327	0.6
51.81402	0.7
59.01383	8.6
61.98817	1.1
69.56717	4.3
70.00163	0.7
71.05006	0.9
74.76000	0.8
81.36217	0.6
94.16541	0.6
96.96054	0.8
97.02924	1.6
97.06569	0.7
98.20621	1.3
101.40678	0.8
109.06591	0.9
126.42487	0.7
134.40750	0.8
150.55743	0.8
154.75018	0.7
155.12671	0.6
171.10208	1.6
190.12369	1.1
200.01172	2.2
208.13438	1.3
218.15479	14.7
221.06712	0.9
236.16551	34.5
237.16904	2.0
262.14468	5.8
263.16647	1.5
279.97522	0.7
280.15527	100.0
280.23605	7.2
281.15292	4.5
281.18109	1.5
281.24802	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	279.1083
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
51.60547	0.5
55.01868	0.8
57.03437	1.2
58.00587	1.5
59.01376	35.7
68.99813	0.8
71.01377	18.6
71.05014	7.8
71.54073	0.9
72.99286	2.7
73.02945	1.9
75.00868	1.6
80.96499	1.9
83.01374	1.6
85.02944	5.6
87.00874	4.7
89.02437	19.6
93.03459	0.8
95.01408	1.4
99.00880	1.8
99.04515	4.9
101.02440	13.8
101.06080	1.6
103.92033	0.7
105.01933	16.2
105.41697	0.5
110.02477	1.5
111.00888	0.8
111.01995	1.2
111.04480	0.9
112.98808	1.9
113.01704	1.0
113.02439	8.5
113.06042	1.3
115.00398	1.1
115.03956	0.6
117.01922	1.5
117.05573	60.1
118.05894	1.1
119.03500	8.7
122.89384	1.0
131.03465	0.7
142.99821	1.9
143.03452	1.0
148.75981	0.6
159.06615	2.1
160.02571	0.6
160.19843	0.6
161.04578	0.9
164.07173	1.2
173.00897	0.8
173.04483	3.4
179.05705	1.2
191.05537	3.0
243.06242	3.3
279.10825	100.0
279.23129	4.5
280.11142	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01373	1.3
64.29983	0.2
69.83469	1.1
71.01369	0.8
72.76332	0.2
79.36226	0.2
83.04996	0.2
96.20306	0.2
107.71932	0.2
108.66674	0.2
114.55450	0.2
122.86261	0.2
127.07635	0.4
171.81566	0.2
219.33783	0.2
233.22693	0.4
237.34995	0.2
259.20657	0.6
275.20242	0.5
277.21698	100.0
278.22061	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	277.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23661	0.3
56.80791	0.3
59.01358	1.6
63.29490	0.4
69.23586	1.7
69.24010	1.6
71.01367	0.7
75.09707	0.3
98.20681	0.8
101.72984	0.4
233.22646	0.4
259.20636	0.9
277.21698	100.0
278.22025	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	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.42860	0.6
51.39907	0.7
53.82946	0.6
56.90757	0.6
59.01377	3.3
59.50057	0.6
70.61644	1.9
71.01386	0.7
152.01080	0.7
177.16452	1.7
197.11880	0.7
231.21118	5.8
257.19040	0.8
275.20151	100.0
276.20532	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	275.2012
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
59.01365	2.4
80.86434	1.5
90.80082	1.4
98.20141	9.6
103.17942	1.4
120.76540	1.6
124.30925	1.5
166.89928	1.7
201.37096	1.6
231.21146	100.0
232.21454	6.2
275.20163	29.7
276.20764	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	277.1809
Annotation	Fenoksan
Peak:m/z	Relative Intensity
59.01376	4.3
61.98822	0.7
66.49221	0.5
67.31308	0.5
70.65965	1.1
71.01396	1.1
83.95787	0.6
85.02920	0.7
96.96040	0.9
112.98573	1.2
118.94162	0.5
121.02973	2.5
134.07317	0.7
140.14874	0.5
149.09677	0.7
151.11281	17.4
152.11644	0.7
152.91795	3.3
161.74594	0.5
163.11246	0.6
165.12836	6.0
166.13017	0.5
191.14494	0.7
194.92819	7.2
194.95576	1.9
195.93266	0.9
205.15996	1.2
207.13899	1.6
212.93860	1.2
233.15411	1.4
233.19098	10.9
259.16992	5.9
276.93140	0.9
277.18082	100.0
277.21695	64.6
278.18433	7.5
278.22061	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	275.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.7
57.38400	2.4
59.01094	3.9
59.01374	34.4
61.96815	2.3
70.59686	9.3
71.01378	40.3
80.02642	3.2
81.03448	7.2
83.05016	12.5
84.02127	2.9
84.42059	2.7
93.03454	2.8
95.05035	3.8
97.02932	13.0
97.06592	2.3
99.00892	3.3
107.05003	3.1
109.06581	86.8
110.03695	4.3
110.06876	4.5
121.06607	6.1
123.08234	2.9
125.09681	5.3
127.11251	3.0
133.02933	4.4
134.03745	13.5
135.08116	10.8
136.05257	4.9
142.02693	11.8
145.10202	3.4
160.79716	2.9
161.09679	6.4
163.11278	41.4
169.02388	2.8
171.10252	9.1
181.12300	14.0
199.13345	8.0
207.10237	100.0
208.10547	7.2
225.11360	24.6
226.11726	2.7
243.12335	8.6
275.09369	13.8
275.12192	3.3
275.20139	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	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01387	2.4
61.86514	0.5
67.01894	4.3
69.03440	1.1
69.73930	1.8
71.01386	3.5
72.24596	0.4
81.03459	1.1
83.05035	1.1
85.02945	0.5
87.00902	0.6
92.33557	0.4
93.03461	24.1
94.03790	0.7
98.19894	0.8
101.06082	34.3
102.05609	0.6
102.06423	0.8
109.02969	0.6
111.00874	0.6
111.04528	5.1
113.32716	0.5
137.02455	5.3
140.04140	0.6
155.03499	4.9
173.04549	100.0
174.04933	3.0
181.92223	0.5
200.21939	0.4
233.14090	0.5
234.68576	0.5
275.11398	22.4
276.11716	1.0
296.42148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.1
60.62844	2.6
71.01377	46.7
81.03440	8.7
83.05025	10.4
86.25764	2.7
93.03468	2.9
95.05015	5.1
97.02964	15.6
97.06581	8.4
98.20645	7.2
99.00826	4.6
107.05032	5.1
109.06586	83.7
110.03712	3.9
121.06593	7.3
125.09679	6.0
127.11259	3.1
133.02946	27.4
134.03743	92.5
135.04532	7.8
135.08119	10.6
136.05273	5.4
137.02330	3.1
142.02705	8.2
146.89793	3.0
155.10799	3.5
161.09703	7.2
162.03185	8.7
163.11285	52.9
170.42499	3.1
171.10228	13.0
174.63512	2.8
177.01929	11.5
178.02666	6.4
179.10719	3.3
181.12355	20.8
185.11829	4.5
192.95877	3.2
197.11890	3.9
199.13385	7.2
207.10252	100.0
208.10634	6.5
225.11314	27.4
231.10263	3.3
243.12297	5.9
275.09241	63.3
275.20190	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	273.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02097	0.6
59.01369	1.8
71.55526	0.9
72.99270	0.6
75.00853	0.8
75.94576	0.6
83.01389	2.1
83.05066	0.6
84.66171	0.6
86.57907	0.6
93.03456	0.9
101.02428	1.8
107.67673	0.7
151.11314	1.4
169.12329	92.6
170.12718	3.4
171.10277	2.6
173.04475	1.4
178.51524	0.6
197.11813	19.1
198.12122	0.6
209.11958	1.1
237.11327	1.9
241.10802	100.0
242.11140	4.4
273.03809	0.9
273.07538	0.9
273.13531	5.8
273.16714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1859
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
59.01373	9.6
69.32276	14.3
69.32686	3.1
130.83556	2.1
145.87846	1.9
150.22241	1.9
175.14874	5.6
195.13834	3.3
229.19586	22.1
273.18582	100.0
274.18936	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	274.0932
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
51.36125	0.5
55.01862	1.0
58.02972	5.9
59.01370	2.8
69.03441	0.5
69.99748	1.5
70.00157	1.3
71.01379	8.8
73.02940	1.0
73.04089	0.5
74.02471	1.7
80.05057	0.6
82.02979	1.2
83.01397	1.8
84.04546	1.8
87.00871	2.7
89.02441	98.6
90.02778	1.1
94.02968	1.3
96.04549	1.0
97.02959	0.8
98.02441	0.6
99.00877	2.1
99.03230	0.7
100.04045	10.2
101.02460	1.3
112.04041	3.9
113.02477	1.3
114.05614	0.9
124.04052	1.8
125.02429	0.8
126.90375	0.8
128.03549	1.0
136.04054	1.1
138.05534	0.7
140.03537	1.2
142.05103	3.8
143.11917	1.5
144.64696	0.6
154.05083	1.7
166.05092	0.6
170.04596	0.9
181.90994	0.6
182.04526	0.6
184.55695	0.6
197.58504	0.6
200.13942	0.7
202.07166	4.6
222.14703	0.7
230.10446	0.9
232.08345	4.5
244.12865	0.9
274.09299	100.0
274.14130	3.3
275.09866	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	272.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49578	0.4
59.01377	11.2
61.98815	1.2
71.01387	2.7
71.54275	0.7
72.99290	0.5
77.05891	0.4
78.95886	2.3
85.02938	0.4
88.98831	0.6
99.00882	0.9
108.02160	1.1
109.02457	0.8
110.98548	1.6
112.98757	0.4
114.05619	6.1
115.00371	2.9
117.00424	2.0
118.96629	0.4
128.07175	1.5
130.08736	100.0
131.09090	1.8
132.98180	1.0
134.04738	1.5
144.98175	1.6
168.99982	2.1
172.00948	1.1
174.99217	0.7
175.02486	0.4
186.99226	6.1
207.99243	0.7
210.06346	0.6
211.97519	0.5
212.07806	0.6
212.97153	12.9
228.07385	2.3
228.09476	0.5
230.08804	6.8
231.08974	0.5
233.93654	0.4
235.93326	0.5
241.01195	0.8
272.04663	2.7
272.09900	52.9
273.03952	4.1
273.10138	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	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
50.73300	0.3
59.01392	0.7
69.03434	0.5
70.86370	0.9
71.01355	0.5
78.95902	65.5
86.05061	0.3
96.96935	3.5
99.84843	0.4
101.00961	0.4
105.56773	0.4
110.98527	53.3
115.00314	0.6
117.00413	0.7
125.00925	1.5
126.98871	0.6
129.42490	0.4
137.02480	0.4
145.06180	0.4
149.00935	0.8
157.03502	1.6
167.01970	0.8
168.99924	3.3
169.03561	1.0
186.99263	1.2
192.99879	0.5
195.01456	3.3
211.01004	1.0
212.97182	2.0
227.00528	0.5
241.01173	15.8
242.01579	0.6
255.00101	0.4
255.03369	0.7
273.03815	100.0
273.25696	0.4
274.04333	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.87432	0.2
69.28689	2.2
71.30453	0.3
125.02462	0.4
135.79892	0.3
225.22255	4.6
226.22690	0.4
253.21706	1.5
269.21301	0.9
271.22794	100.0
272.23114	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.86623	0.3
55.01886	0.4
58.20843	0.2
66.68238	0.3
72.99306	0.3
84.02174	0.4
89.02494	0.3
98.19865	0.8
125.02436	0.6
131.73611	0.3
165.60225	0.3
180.52003	0.3
197.19106	0.7
201.73193	0.3
221.19109	0.6
223.20660	3.8
225.22238	60.0
226.22575	3.3
229.26511	0.3
253.21709	1.7
269.21057	0.4
271.22784	100.0
272.23151	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67799	1.0
57.03439	1.2
59.01102	1.8
59.01378	24.0
67.01876	3.2
71.01373	1.9
71.05019	5.2
72.99297	1.1
73.02953	3.1
83.01391	1.1
83.05031	3.3
85.02942	5.4
97.02950	1.5
99.04513	38.6
108.02162	1.4
109.02956	2.2
109.06594	1.6
112.98594	2.4
124.78067	1.1
125.02429	2.3
125.09738	1.6
151.00418	1.5
152.91736	1.3
155.10867	1.1
170.51408	1.2
171.10269	35.4
174.01683	3.6
176.98854	2.6
182.46744	1.2
183.13889	5.5
185.11829	2.6
191.14487	1.2
193.12355	2.1
197.11784	4.2
205.81334	1.6
209.15460	35.6
211.13383	49.1
212.13786	2.6
219.31053	1.2
221.11804	4.9
227.16577	3.2
235.13362	8.4
236.13721	1.2
239.12938	10.3
253.14452	21.9
253.16887	2.2
271.05576	2.6
271.15503	100.0
271.22754	4.7
272.15802	2.5
274.78174	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67799	1.0
57.03439	1.2
59.01102	1.8
59.01378	24.0
67.01876	3.2
71.01373	1.9
71.05019	5.2
72.99297	1.1
73.02953	3.1
83.01391	1.1
83.05031	3.3
85.02942	5.4
97.02950	1.5
99.04513	38.6
108.02162	1.4
109.02956	2.2
109.06594	1.6
112.98594	2.4
124.78067	1.1
125.02429	2.3
125.09738	1.6
151.00418	1.5
152.91736	1.3
155.10867	1.1
170.51408	1.2
171.10269	35.4
174.01683	3.6
176.98854	2.6
182.46744	1.2
183.13889	5.5
185.11829	2.6
191.14487	1.2
193.12355	2.1
197.11784	4.2
205.81334	1.6
209.15460	35.6
211.13383	49.1
212.13786	2.6
219.31053	1.2
221.11804	4.9
227.16577	3.2
235.13362	8.4
236.13721	1.2
239.12938	10.3
253.14452	21.9
253.16887	2.2
271.05576	2.6
271.15503	100.0
271.22754	4.7
272.15802	2.5
274.78174	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01369	1.2
61.35151	1.0
70.06166	4.7
71.01385	1.8
72.99313	1.2
73.02948	1.3
80.54923	0.9
83.01375	2.0
93.03444	0.9
99.00878	2.7
109.06604	2.0
111.00819	1.1
112.98820	7.8
118.04939	1.1
120.41291	1.1
123.08097	1.3
142.99846	2.3
149.06088	0.9
153.05513	3.6
153.09225	1.3
167.07118	1.3
173.00891	1.7
174.01680	100.0
175.02148	3.1
185.14235	0.9
193.04999	2.0
197.08138	1.1
211.06042	1.4
215.53699	0.8
227.09117	2.0
228.44057	1.0
262.12793	1.0
271.08240	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	271.1187
Annotation	Tensyuic acid D
Peak:m/z	Relative Intensity
57.03452	15.0
59.01377	11.9
67.01875	2.5
68.99820	63.8
69.03457	3.1
71.01396	4.2
81.03449	3.7
83.05035	6.8
84.47993	1.5
85.02943	10.4
93.03507	2.0
95.05046	2.0
97.06597	17.0
98.03734	2.2
98.20650	4.2
108.02171	3.0
109.06595	2.8
111.04540	1.9
117.60844	1.6
123.08159	5.6
125.02447	2.5
125.09730	46.7
137.09700	5.2
149.09705	6.7
151.07680	2.3
151.11301	36.7
153.09216	30.2
155.10837	2.3
165.09233	6.3
167.10809	19.5
169.12277	1.8
171.10286	3.9
173.04578	2.1
174.01752	3.2
177.09180	15.3
177.12906	1.8
178.09476	1.9
178.95978	1.7
195.10272	100.0
196.10562	2.2
197.11806	6.3
199.13403	3.9
211.13393	4.4
221.11865	21.6
227.12889	45.7
228.13124	2.1
229.14444	16.0
239.09174	2.8
239.12880	13.2
271.05588	1.8
271.11850	46.4
271.15427	12.1
271.22662	5.5
272.12350	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	269.1756
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
56.79493	0.5
57.03445	1.1
57.62206	0.5
59.01376	1.3
62.96411	5.1
65.00331	0.7
69.03454	1.0
69.67303	2.4
71.05008	0.7
73.02921	0.6
75.74750	0.5
81.03442	0.6
83.01382	23.2
83.05026	1.2
85.02942	2.4
87.00864	0.5
89.02444	1.0
93.03456	0.7
95.05048	0.5
97.06050	0.6
97.06586	3.1
99.08128	1.5
106.10555	0.5
107.01357	0.5
113.09734	3.1
115.07645	1.1
117.03436	1.3
119.05014	0.6
119.08649	1.1
121.02914	1.3
121.26428	0.6
123.08152	1.6
125.06061	0.9
125.09723	9.5
137.09711	1.0
139.11247	0.8
141.09207	2.6
143.10739	0.7
151.00311	1.1
153.09212	1.5
167.10730	2.1
171.10243	2.5
175.11314	5.2
186.95578	1.5
191.43005	0.5
193.12315	3.5
199.13464	0.9
200.10490	3.3
207.17578	3.1
213.44377	0.6
223.17043	1.5
225.14999	1.3
225.18561	1.4
233.15437	1.0
237.11424	3.1
241.18121	0.6
251.16498	7.8
269.04547	9.5
269.13718	4.1
269.17551	100.0
269.20789	3.8
269.24948	2.1
270.04614	0.7
270.17914	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	271.0822
Annotation	4-Hydroxyphenyl hexopyranoside
Peak:m/z	Relative Intensity
59.01373	2.4
65.45596	0.8
69.03444	2.2
69.58328	0.8
70.40070	3.1
71.01361	4.0
72.99305	2.5
73.02954	0.8
79.75479	0.9
80.02676	2.2
83.01373	2.4
87.00865	1.4
92.31262	0.8
97.06580	1.4
99.00858	4.2
103.06578	0.8
108.02151	1.3
109.02947	68.3
109.06575	2.7
110.03217	1.0
111.00864	1.4
111.08146	1.8
112.98795	11.1
113.99573	1.1
115.00403	2.0
117.01920	3.8
121.06618	1.6
123.04543	0.8
123.08125	2.5
125.06079	1.5
130.74089	0.8
137.06027	3.0
139.07632	1.2
142.99849	3.1
145.01424	1.0
149.06084	1.5
153.05554	6.6
163.24275	0.8
167.07140	3.1
171.06572	1.2
171.38275	0.8
173.00830	2.8
174.01675	100.0
175.02208	2.9
193.04999	1.3
211.06081	3.3
271.08212	4.4
271.22678	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	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
55.98458	0.4
56.44143	0.4
57.03428	0.6
59.01379	0.9
62.96455	0.4
63.55084	0.4
65.00356	0.4
69.30650	3.3
77.48776	0.5
83.05008	0.6
85.02957	0.5
87.00851	0.8
95.05034	0.5
97.06596	2.4
99.08148	1.2
107.01422	0.7
113.09720	2.6
115.07622	0.7
117.03498	0.9
123.08169	0.7
125.06087	0.5
125.09736	4.8
132.54153	0.4
136.79865	0.4
139.65881	0.4
141.09215	3.1
143.10812	0.6
151.00406	0.4
151.07666	1.0
151.11172	0.4
153.09230	1.8
159.04552	0.4
169.08722	0.6
171.10312	2.0
171.73227	0.4
178.97977	0.4
179.14381	0.4
186.95592	1.9
197.11676	0.5
197.19093	0.8
199.09923	0.5
200.10535	2.8
207.17543	3.5
223.16971	1.7
225.18590	1.6
233.15549	1.1
241.17888	0.5
251.16521	7.9
261.16537	0.4
269.04575	6.3
269.17578	100.0
269.20758	3.4
270.17950	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86580	0.7
57.03441	1.4
58.16095	0.8
59.01368	2.8
62.92971	0.7
62.96408	9.8
67.01892	1.6
69.03455	1.1
69.70318	3.4
71.01353	0.9
78.10724	0.7
83.01384	41.1
83.05050	1.6
85.02955	4.1
87.00876	1.5
89.02455	0.9
93.03419	0.8
95.05036	0.7
97.02903	0.8
97.06586	2.7
99.08142	1.4
107.01369	0.8
107.05057	0.8
113.09699	2.3
115.04015	1.2
115.07590	0.8
117.03462	1.8
119.05029	1.0
119.08646	1.7
123.08128	1.9
125.09731	10.9
132.98079	0.8
141.09190	2.5
147.04468	0.9
151.00372	1.0
153.09193	1.2
167.10774	2.3
171.10280	1.8
175.11301	7.4
181.06732	0.8
186.95572	2.9
193.12370	5.7
198.50502	0.8
199.09651	0.9
200.10539	3.2
207.17520	2.5
209.11789	1.5
220.59460	0.8
223.17050	1.5
225.14897	1.0
225.18555	1.9
233.15453	1.0
237.11258	3.3
251.16489	8.9
269.04520	12.9
269.13690	8.3
269.17557	100.0
269.20981	5.2
269.24869	2.9
270.17874	5.0
270.21579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01362	0.2
62.14902	0.1
63.02391	1.4
63.34558	0.1
63.40024	0.1
63.85109	0.1
65.00327	3.3
70.77983	0.2
70.78339	0.4
83.01392	1.5
93.03468	0.4
105.03478	1.1
107.01393	5.5
116.88545	0.2
117.03468	20.7
118.03794	0.6
121.02956	1.5
147.52226	0.2
148.01746	0.2
149.02443	8.3
150.02788	0.2
151.00372	10.1
152.00693	0.2
155.05046	0.3
157.06561	0.2
159.04524	1.7
168.62392	0.2
169.06558	0.4
180.05833	0.6
181.06569	1.6
183.04523	1.4
185.02457	0.6
186.95544	0.2
196.05344	0.3
197.06056	0.5
201.05597	1.7
209.11804	0.3
213.05653	0.3
224.04852	0.4
225.05562	4.5
225.14955	0.2
226.02742	0.2
226.05890	0.2
227.03476	1.8
269.04544	100.0
270.04904	5.8
282.11075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.4
57.03452	5.6
57.97801	0.9
58.00593	2.1
59.01379	45.6
63.10512	1.0
65.02142	0.9
66.00432	0.9
69.03465	1.8
71.01383	100.0
71.55293	1.4
72.01706	1.2
72.99300	4.3
73.02950	34.3
74.16521	1.0
75.00854	3.1
83.01383	16.6
84.57173	1.0
85.02953	49.6
87.00879	15.2
88.01196	1.5
89.02450	5.2
95.01379	5.4
96.96022	2.3
97.02930	2.7
99.00880	13.6
101.02446	85.3
102.02801	1.9
111.00867	1.4
111.31946	0.9
113.02454	40.0
117.74333	1.0
120.69012	1.0
125.02413	1.9
129.01947	1.4
133.02942	1.4
134.03761	2.0
135.04466	1.3
143.03479	4.8
159.02960	8.1
161.03264	1.7
161.04562	31.3
167.66277	1.1
205.03450	1.4
231.10223	1.8
232.10594	2.3
237.31883	0.9
269.04462	4.2
269.10306	8.9
269.21194	5.6
269.24414	2.2
275.09210	2.9
276.09525	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	267.2328
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01371	0.7
65.00326	0.4
69.34347	1.8
69.34753	0.7
87.00910	0.4
98.95585	0.9
112.98595	0.4
121.02962	0.4
136.50491	0.3
159.08096	0.3
178.99791	0.3
249.22346	0.3
252.99321	0.3
267.23264	100.0
268.23611	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	269.0444
Annotation	Apigenin
Peak:m/z	Relative Intensity
58.24133	0.1
62.11120	0.1
63.02396	4.9
65.00317	2.4
69.49672	0.1
75.86375	0.1
79.01897	0.2
81.03457	0.2
82.47208	0.1
83.01372	0.5
89.00307	0.1
93.03446	0.8
93.82726	0.1
105.03439	0.5
107.01388	3.8
117.03461	11.0
118.03787	0.3
121.02961	0.7
123.04489	0.1
131.05014	0.1
133.02971	0.2
135.04509	0.6
141.03479	0.2
141.07169	0.1
143.05070	0.1
145.02940	0.2
148.01675	0.1
149.02431	2.8
151.00371	2.9
155.05045	0.4
157.06589	0.4
159.04504	3.6
160.04851	0.2
161.02441	1.6
169.01248	0.1
169.06575	0.9
171.04510	0.3
173.06044	0.2
180.05814	0.5
181.06549	0.8
182.03709	0.3
182.06966	0.1
183.04474	1.6
184.04913	0.1
185.02441	0.1
195.04474	0.4
196.05251	0.5
197.06082	1.1
199.04013	0.3
201.05588	1.1
203.03426	0.1
213.05545	0.2
213.14928	0.1
218.59573	0.1
224.04791	0.7
225.05554	2.6
227.03435	1.0
241.05042	0.2
241.14423	0.3
251.12769	0.2
261.67322	0.1
263.61978	0.1
268.03882	0.1
269.04529	100.0
270.04874	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	269.0453
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.31914	0.2
62.19734	0.2
63.02089	0.4
63.02395	4.1
65.00323	1.7
69.63527	1.5
71.44630	0.2
73.49931	0.2
83.01372	0.4
89.00343	0.3
91.05587	0.2
91.81668	0.2
93.03439	0.6
105.03428	0.7
107.01380	3.4
117.03465	10.1
118.03787	0.3
118.27448	0.2
121.02975	0.5
131.05104	0.2
135.04517	0.7
149.02444	2.5
151.00362	3.3
159.04504	2.9
161.02399	1.3
169.06583	1.0
171.04536	0.3
172.56091	0.2
180.05780	0.4
181.06589	0.7
182.03624	0.3
183.04561	1.4
195.04750	0.2
196.05322	0.3
197.06044	0.7
199.03896	0.2
201.05663	1.0
224.04832	0.3
225.05524	1.8
227.03476	0.9
269.04532	100.0
270.04907	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	266.1393
Annotation	Metoprolol acid
Peak:m/z	Relative Intensity
59.01378	1.4
66.20259	0.6
69.19496	6.4
71.01406	0.6
77.08242	0.6
98.19787	1.2
204.13928	31.2
222.14986	55.6
223.15434	3.0
243.87129	0.7
248.13017	3.1
266.13956	100.0
267.14206	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	267.0719
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
59.01378	8.0
61.98812	1.3
71.01370	3.8
71.53894	0.8
72.04267	0.9
85.02937	1.0
87.00874	100.0
88.01202	1.0
88.04033	1.1
89.02423	3.5
90.04189	0.9
101.02438	2.3
113.02402	1.5
161.04509	1.4
191.05557	1.3
201.96439	1.1
267.07132	4.0
267.10767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04560	0.5
59.01377	5.9
61.98824	2.3
71.01375	4.2
72.99306	0.7
73.02948	1.5
81.06232	0.6
85.02937	2.0
87.00872	100.0
88.01202	1.5
88.04025	1.4
89.02443	3.3
92.58832	0.6
99.00836	0.7
101.02427	2.2
105.01931	1.3
111.52431	0.6
113.02454	1.3
117.01936	0.9
117.31789	0.9
119.03499	0.7
140.95851	0.7
161.04555	1.1
174.92557	0.7
179.05641	1.1
267.07208	1.5
267.10855	1.0
276.25000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30579	1.5
56.64305	1.5
57.03444	2.1
59.01377	100.0
61.98826	42.1
69.40332	11.5
69.40735	3.4
71.01380	25.0
73.02942	3.6
83.01411	2.6
85.02953	9.2
86.01749	1.5
87.00877	12.1
89.02439	10.4
92.02557	4.8
95.99308	1.4
96.96020	1.9
99.00916	3.4
101.02439	20.6
105.05558	3.4
108.02069	3.2
113.02435	12.7
119.03474	5.7
125.02450	1.7
130.08759	14.2
134.04700	3.9
135.03130	90.9
136.03526	2.4
159.03052	2.2
161.04544	12.1
179.05621	2.2
207.08760	5.1
231.93599	2.6
237.08830	2.3
237.17215	1.5
237.66914	1.5
240.09895	2.0
267.07303	43.1
267.10733	13.2
267.14880	1.8
287.71478	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	267.1237
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
50.22644	0.3
54.60092	0.3
57.03434	0.8
59.01361	1.5
64.45772	0.3
64.47108	0.3
69.55470	2.2
76.87440	0.3
84.02161	0.6
96.95998	0.7
97.06572	0.4
121.02952	0.4
123.08151	0.4
134.89352	0.3
179.12692	0.3
179.14383	0.7
192.64149	0.4
205.12323	1.2
209.04419	0.5
211.06967	0.4
223.13394	100.0
224.13716	5.1
249.14917	1.2
267.09940	0.9
267.12390	15.6
267.15500	0.6
268.12851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08947	0.6
56.11553	0.5
59.01376	3.6
66.02016	0.6
70.83892	1.4
71.49365	0.6
87.00900	0.8
92.35829	0.6
165.66406	0.5
205.15981	16.0
223.17038	100.0
224.17331	3.9
231.13991	1.5
249.14940	6.8
267.11340	1.8
267.16006	60.1
268.16333	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	267.1966
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03460	0.9
59.01381	6.9
69.20509	2.6
69.20933	3.9
69.95012	0.7
71.01403	0.8
71.05058	0.9
71.46474	0.7
73.02951	1.0
73.82728	0.7
85.06596	1.4
87.00902	1.0
100.32868	0.8
101.57188	0.7
168.23566	0.7
171.10266	3.1
179.14417	1.4
195.13892	16.2
196.14240	0.8
209.04478	0.9
238.16754	0.9
249.18625	18.5
250.18974	1.4
267.19650	100.0
268.19977	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.60840	0.6
59.01372	3.1
61.91260	0.5
70.27971	1.3
70.28363	0.9
86.94669	0.6
96.96016	6.5
109.14515	0.6
173.08055	0.5
218.70985	0.6
247.20648	0.9
265.14902	5.7
265.21710	100.0
266.22012	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	266.0892
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.82979	0.1
58.52281	0.1
59.01371	0.3
64.48916	0.1
65.55740	0.1
69.44479	0.5
69.44896	0.4
71.01396	0.1
79.19857	0.1
87.00890	0.2
92.02539	1.3
101.02519	0.1
107.03631	4.6
134.04723	100.0
135.05157	1.4
148.06378	0.2
151.02647	0.2
172.69760	0.1
266.08923	5.5
267.09457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Rugosal A
Peak:m/z	Relative Intensity
57.03442	7.4
59.01382	25.2
65.03966	11.3
67.01885	1.6
69.03436	2.9
69.19341	11.3
71.01384	9.5
71.91205	1.4
80.02657	2.1
81.03454	29.6
82.20814	1.4
82.30714	1.4
83.05025	30.2
85.02927	2.4
93.03459	24.0
95.05015	12.2
96.96014	1.6
97.06573	1.8
100.66125	1.4
107.05006	2.6
108.02160	4.5
109.02945	7.8
109.06606	6.6
110.03722	8.9
111.04515	68.7
111.08124	1.7
112.04860	2.2
118.24578	1.3
121.02929	3.8
123.04529	5.1
125.09722	1.6
134.03696	1.8
136.05385	1.8
137.09708	2.6
139.11298	10.7
144.71284	1.2
149.09741	1.5
153.86295	1.3
155.10713	4.3
163.11523	1.6
171.10269	8.3
177.12776	11.2
183.10197	3.1
183.81432	1.4
193.12428	1.6
193.15965	17.4
203.14359	1.5
219.13950	8.8
221.11816	24.3
221.15283	1.7
222.12311	1.9
225.88409	1.4
237.14944	100.0
238.15257	5.0
247.13356	21.6
248.13905	1.8
265.14423	99.5
266.14734	4.7
267.68069	1.3
269.45422	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
69.83978	0.4
69.89336	1.7
79.95724	2.3
96.96010	100.0
97.95996	0.3
101.02463	0.3
101.73369	0.4
128.57240	0.3
129.26787	0.3
140.57571	0.3
174.08925	0.3
177.59648	0.3
265.14761	86.7
266.15112	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	265.1805
Annotation	Armatin D
Peak:m/z	Relative Intensity
57.03430	0.8
59.01105	0.8
59.01378	11.9
63.11950	0.5
64.85417	0.4
69.03424	0.8
71.01379	0.9
71.13480	1.0
75.62318	0.5
83.05058	1.3
85.02956	3.3
93.03400	0.7
93.36012	0.5
96.96002	2.1
97.35476	0.5
101.02457	0.6
109.06593	2.2
128.59352	0.5
134.01704	0.5
135.08176	0.5
149.13306	0.6
167.10759	2.7
177.12851	0.9
179.14340	0.9
195.13896	8.7
203.14369	1.8
203.18031	2.1
203.30472	0.6
205.12274	1.4
221.11890	0.6
221.15445	0.8
221.19077	0.6
223.13344	6.6
233.15155	0.5
235.17024	1.6
237.18614	2.8
247.13411	4.9
247.16995	15.1
256.13159	1.6
265.14658	6.7
265.18051	100.0
266.18384	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	265.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08515	0.6
57.03424	0.8
59.01377	16.8
64.81552	0.6
71.10709	1.2
83.05028	1.5
83.92955	0.6
85.02942	2.4
90.99070	0.6
96.95996	2.9
101.02431	1.1
109.06627	1.6
143.40742	0.6
162.61934	0.7
167.10782	1.2
177.01796	0.6
179.14529	0.7
185.51122	0.6
195.13895	8.4
203.14404	1.3
203.17969	2.0
205.12282	1.0
223.13396	7.3
235.17068	2.4
237.18631	3.5
247.13377	2.7
247.16992	16.4
248.17299	1.1
256.13086	1.5
265.14914	4.4
265.18054	100.0
266.18427	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.01384	20.7
66.20940	0.7
68.99572	0.8
71.01393	1.1
71.55918	0.9
78.95911	1.0
81.03480	0.8
83.05029	0.9
96.95995	1.1
101.02438	0.7
112.98581	1.3
114.75017	0.7
136.93709	0.8
149.13293	0.8
203.14418	3.4
217.48428	0.7
219.13719	0.9
221.15472	100.0
222.15807	5.5
247.13319	1.2
256.36066	0.8
265.14450	20.1
265.17859	1.3
266.14700	0.8
275.85846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1442
Annotation	Rugosal A
Peak:m/z	Relative Intensity
57.03434	5.4
59.01373	28.6
63.53445	1.4
63.53773	1.3
65.03967	10.4
65.26463	1.6
67.01878	1.9
69.03442	3.0
71.01368	6.3
71.56347	2.1
81.03452	31.9
83.05025	28.3
84.26007	1.6
85.02953	3.0
93.03455	25.5
95.05009	9.8
96.95983	1.4
97.06572	2.6
107.04999	1.5
108.02134	5.2
109.02931	6.5
109.06565	3.8
110.03707	9.7
111.04521	69.4
111.08167	2.0
114.19633	1.5
121.02960	6.3
123.04520	4.7
123.08150	2.4
137.09692	2.8
137.78395	1.4
139.11288	12.4
149.09772	1.9
155.10774	2.3
168.88980	1.7
171.10243	10.2
177.12825	9.7
183.10234	3.8
193.15961	19.5
194.90553	1.3
203.14328	3.6
209.11891	2.1
219.13992	8.3
221.11818	22.7
237.14934	91.0
238.15294	3.6
247.13345	21.5
265.14429	100.0
266.14798	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	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.58330	0.8
58.39048	0.7
59.01363	0.8
70.05476	2.9
70.19710	0.7
87.56387	0.6
98.20135	1.7
192.44698	0.8
211.70634	0.7
219.21071	1.8
263.20129	100.0
263.41983	0.9
264.20468	6.9
277.20847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0715
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
58.00586	5.6
59.01377	8.3
60.62296	1.2
69.03442	2.5
71.01360	1.4
71.54947	2.2
72.99295	1.8
80.96483	1.6
91.01885	2.3
93.03434	2.4
96.96011	2.0
108.02164	3.3
113.95919	1.3
119.05048	2.0
122.03782	1.7
123.00850	1.6
123.04517	3.9
124.01640	3.8
131.05086	1.6
133.02980	2.6
134.03743	2.6
135.04475	4.2
145.02937	4.0
147.04500	25.3
148.05310	20.8
149.06081	10.8
150.06874	1.4
150.87332	1.3
158.03696	2.4
159.04492	20.2
160.01672	7.7
160.05280	13.8
161.02402	4.0
162.03169	2.9
162.06844	3.4
163.04018	12.0
163.07629	1.9
167.02092	3.1
169.02989	3.3
170.03685	3.6
171.04523	4.0
173.02437	3.8
174.03214	14.7
175.03976	19.3
175.07600	1.9
176.04797	12.8
177.05551	7.4
178.06351	50.6
181.21159	1.4
187.04007	13.2
188.04778	79.6
189.05493	13.8
190.02722	3.7
191.03484	3.8
191.05571	1.9
191.07152	5.4
193.08670	27.1
194.09055	1.3
201.01918	1.7
202.02573	1.2
203.03510	2.1
203.07130	19.7
205.04895	1.8
206.05815	28.5
207.06119	1.7
221.08167	100.0
222.08446	3.5
265.07214	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	261.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40033	0.6
59.01365	2.3
71.56155	0.7
71.56542	1.0
83.05022	1.3
88.09766	0.6
125.09672	1.0
136.94006	0.7
142.44336	0.6
147.11801	4.0
148.00348	0.6
149.13322	0.7
163.03801	0.8
178.94969	0.7
179.10786	0.9
181.08432	0.6
183.13873	2.0
189.05377	0.8
191.10765	0.9
193.12309	4.9
199.07324	0.9
203.06895	2.3
205.08470	0.8
211.13368	27.1
212.13663	1.0
213.08905	5.1
215.10449	5.6
217.08672	1.2
217.12048	16.8
229.08461	3.4
231.10001	4.3
233.07846	1.2
233.11650	0.9
235.13129	1.7
245.07904	0.7
247.09482	18.5
248.09885	0.8
249.11053	24.6
261.11060	100.0
262.11285	5.1
262.35510	0.8
279.12128	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51085	1.6
58.00599	1.5
58.52701	1.5
59.01381	8.7
63.97611	1.6
69.35346	13.9
71.01380	44.0
73.02946	11.3
74.02459	4.3
81.03427	1.9
81.65243	1.5
83.05006	1.5
84.02189	2.8
85.02943	1.6
93.03491	2.4
95.05019	1.6
97.02944	4.8
97.06609	2.5
99.89009	1.5
106.18669	1.4
109.06585	16.9
111.04499	1.7
119.04966	2.2
121.06546	2.6
123.08107	1.8
125.06073	4.9
125.09723	10.2
127.11274	7.2
130.45970	1.8
135.08145	4.6
137.09708	7.1
142.02740	2.4
143.10782	1.8
151.07668	2.9
153.09152	4.4
155.10756	5.2
163.11272	11.2
171.10262	58.9
173.04521	4.0
181.08754	4.2
181.12338	5.8
199.09752	100.0
200.10146	4.1
201.11339	3.9
207.10263	23.8
225.11319	9.5
261.08780	2.9
261.13428	6.2
261.22186	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.54787	0.5
71.55206	0.7
73.02964	1.0
77.82282	0.4
93.03480	0.7
93.66485	0.5
101.02460	0.6
111.04569	0.5
173.04518	0.6
176.27272	0.5
247.05850	0.4
251.15932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03445	3.1
59.01387	18.6
69.03448	1.9
69.17584	16.5
71.01379	6.8
79.05536	3.1
83.05038	4.3
85.02975	1.9
87.68672	1.7
88.75285	1.4
95.05013	3.5
95.52612	1.6
97.02953	9.7
97.06615	1.8
105.07097	4.2
107.05038	3.5
108.02183	1.7
108.05808	6.6
109.02944	7.6
109.06578	4.6
111.04522	16.3
111.08125	2.7
113.06075	8.5
119.08656	5.3
121.06613	3.4
122.03742	14.3
123.04571	2.4
123.08152	10.8
124.05267	2.8
125.06077	18.7
135.08167	5.0
136.05299	18.1
137.06107	7.8
138.06862	21.2
139.07649	39.0
148.05312	10.0
149.06071	3.9
151.07646	79.8
152.04779	7.8
152.08440	42.9
153.09210	15.8
155.17229	1.6
159.11794	5.0
161.09715	6.7
163.07625	16.2
167.07138	4.8
170.05801	2.3
175.07639	1.9
185.09737	2.7
186.10481	2.8
188.08347	2.6
189.09232	8.2
201.12843	31.5
203.10760	24.5
204.11548	66.3
205.11923	2.7
219.13882	100.0
220.14230	6.0
245.11679	2.3
263.12900	15.9
264.13058	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14340	0.6
69.24861	0.5
71.15849	1.0
73.37819	0.5
80.02670	1.2
81.03472	1.2
83.05023	5.6
84.02191	3.1
91.58273	0.5
95.05025	1.1
102.66514	0.6
125.09684	0.8
135.08188	0.9
140.07077	0.7
163.11305	4.5
165.12825	2.9
179.59215	0.6
190.43196	0.7
191.10704	0.9
201.00824	0.6
209.11824	100.0
209.45422	0.6
210.12193	5.2
227.12866	11.0
228.13147	1.2
270.31216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0881
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
58.02991	0.8
59.01383	7.3
61.00075	0.6
66.51204	0.6
69.49731	3.8
70.02981	10.3
72.04550	4.6
74.02475	100.0
78.81337	0.6
84.04570	1.0
86.02541	0.6
98.02478	24.5
98.19898	1.1
114.05592	0.7
116.03541	53.4
117.03957	0.8
128.03555	8.2
131.03752	0.8
132.04564	31.9
133.04900	0.9
144.04539	4.9
158.06116	0.8
175.08780	1.9
201.06715	11.2
201.11467	0.6
214.55681	0.6
217.09831	1.5
219.07744	3.6
219.12451	1.9
243.07843	1.0
261.08807	35.2
261.12958	1.2
262.09094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Allose 6-phosphate
Peak:m/z	Relative Intensity
58.11514	0.7
59.01362	0.9
63.08551	0.8
70.89562	1.3
70.89899	1.0
71.01377	13.6
78.95901	87.0
90.86693	0.7
96.00907	1.2
96.96957	100.0
101.02423	0.8
111.01228	1.5
115.00371	26.2
116.00713	1.5
117.00805	0.9
129.02249	7.2
131.00198	2.4
131.04646	1.2
138.98041	5.8
140.79869	0.8
141.90987	0.8
155.00175	2.3
168.99088	2.8
171.01501	0.9
173.01192	14.8
196.99323	1.2
197.99403	1.1
198.99040	21.2
217.00217	1.3
241.01109	2.7
241.04733	1.0
259.02222	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.1
59.01375	18.3
59.20356	1.5
69.50970	12.1
71.01389	9.3
73.02939	10.9
83.01391	2.2
83.05083	1.9
84.34586	1.7
85.02961	2.3
111.04492	2.2
123.08197	2.8
125.09711	5.3
127.11283	4.1
137.09738	9.1
149.09686	2.5
151.11290	2.8
153.09219	5.9
155.10789	100.0
156.11110	3.7
161.09749	8.1
165.09232	3.0
171.10284	24.2
179.10762	11.7
181.08733	10.6
183.10249	11.9
197.11772	5.7
199.09756	36.9
213.11310	5.1
215.12878	22.9
217.10803	81.7
218.11134	3.5
223.09750	24.1
241.10794	9.3
259.11908	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	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34320	0.6
52.20978	0.6
55.01868	0.8
55.43659	0.6
56.61119	0.6
56.78805	0.6
57.03452	3.8
59.01386	1.7
69.03462	1.8
69.34324	1.5
69.34725	4.6
71.05027	8.3
73.02929	1.0
75.00869	1.8
83.05022	1.8
95.05029	0.8
97.02975	2.6
97.06596	16.3
99.00880	28.6
110.03751	1.2
116.92801	0.7
123.08177	8.4
125.09727	100.0
126.10052	2.9
133.06635	0.7
160.39827	0.7
163.11243	4.9
179.07288	0.6
179.10753	1.9
181.12354	15.6
189.09120	0.7
197.90227	0.8
207.10278	26.3
213.14960	1.7
219.84526	1.4
221.84277	2.9
225.11325	76.3
226.11658	3.2
239.12965	5.7
257.13950	52.8
257.23923	2.5
258.14252	2.8
258.20715	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.4
60.59589	1.9
69.03440	3.8
71.01367	7.0
71.05013	20.2
71.16284	3.2
74.66283	1.9
74.88519	2.0
82.76237	2.1
83.05000	2.6
85.02953	4.4
95.05037	2.5
97.06587	14.9
99.00905	9.2
106.68259	1.8
109.06570	2.0
110.03703	2.3
123.08100	9.6
125.09718	79.0
126.10052	2.5
137.09683	2.1
146.91180	2.0
153.09210	8.3
153.12801	3.1
163.11293	23.4
168.20018	1.8
171.10219	2.3
179.10779	5.0
181.12326	49.8
185.11819	7.7
197.11861	3.5
207.10240	15.0
207.23495	2.1
213.14716	2.1
221.11816	3.3
225.09225	3.2
225.11314	41.7
239.12842	17.9
257.13928	100.0
258.14282	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55269	0.6
53.71779	0.7
54.08968	0.6
55.01872	1.9
56.20811	0.6
57.03444	8.9
59.01381	1.0
65.10886	0.7
68.83115	0.7
69.03457	4.3
71.01380	2.0
71.05016	20.4
71.50069	1.1
80.02691	0.8
81.03442	1.0
82.58189	0.7
83.05015	2.7
95.05020	3.0
97.02937	5.1
97.06591	15.7
98.07050	0.7
99.00874	21.1
103.46039	0.7
106.04285	0.8
109.06606	2.3
110.03748	1.7
123.08169	10.0
125.09717	100.0
126.10068	2.1
135.08170	1.8
142.02698	1.7
145.10249	0.9
153.09203	5.3
153.12848	2.8
161.09724	1.2
163.11279	21.3
164.11635	0.7
179.10745	4.1
181.12329	60.3
182.12685	1.9
189.09122	0.7
197.11780	1.1
207.10240	38.4
208.10649	1.4
213.14948	1.4
225.11310	82.9
226.11630	3.1
239.12889	4.8
257.13947	51.6
258.14212	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	257.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34773	0.9
59.01373	1.7
70.38989	3.4
71.01379	44.5
72.01742	1.0
81.01953	1.3
88.12459	1.0
97.09036	1.0
97.55968	1.0
98.20591	1.3
103.29877	1.0
109.01438	5.7
110.99350	2.1
115.00372	84.3
127.02524	31.3
128.02620	1.6
128.20995	0.9
129.00443	9.4
130.00528	1.0
147.28244	1.0
153.00423	12.1
171.01491	54.1
172.01605	3.6
196.99405	100.0
197.99626	4.5
215.00453	3.6
257.01505	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09156	1.1
54.60816	1.3
57.03449	20.6
59.01373	4.7
63.90772	1.0
69.03436	1.9
71.01370	1.8
71.55595	1.4
71.69812	1.2
73.02924	2.9
75.00859	4.5
83.05020	4.2
111.08186	6.5
125.09712	2.4
137.09714	3.7
139.11290	100.0
140.11638	2.4
143.12216	1.5
149.08315	1.4
151.11252	1.5
153.12852	11.5
154.91373	1.4
158.93898	1.5
163.11325	2.2
166.99739	1.6
167.10814	2.2
169.12311	4.6
179.10938	1.3
181.12329	29.0
197.11844	15.8
213.14984	5.2
219.84653	2.3
221.84294	6.1
225.11320	35.3
243.12239	1.4
257.13947	80.6
257.17526	10.7
257.23892	3.1
257.94009	2.3
258.14261	4.5
258.17999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.04854	6.8
59.01370	25.8
69.85100	32.1
78.14275	5.7
98.02331	5.4
98.20106	13.2
109.56004	6.3
166.79045	6.1
186.15244	6.0
215.53308	7.2
237.19676	6.0
253.21707	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99772	0.3
59.01374	3.6
60.01715	0.5
61.98831	100.0
70.54648	0.9
71.01395	1.4
84.89359	0.3
89.02454	1.0
90.02769	0.6
93.38229	0.3
99.00850	0.4
101.02458	0.6
102.02791	0.5
105.01938	0.5
113.02444	0.4
114.02814	0.4
115.27174	0.3
117.55499	0.3
142.99907	0.4
161.04520	0.3
162.04897	0.7
173.00974	0.4
176.31181	0.3
225.38933	0.3
254.01495	0.4
254.09630	1.9
255.23305	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43895	0.6
56.54496	0.7
57.03439	2.0
58.70280	0.7
58.93230	0.6
59.01384	0.8
61.66676	0.6
64.89767	0.6
65.69016	0.6
66.62749	0.7
68.99809	1.0
69.03445	1.9
70.37586	2.0
70.37927	0.7
70.46038	0.6
71.01385	5.3
75.00883	0.9
81.03447	1.6
82.88564	0.7
83.05028	8.2
95.05038	4.1
97.06580	26.1
105.07056	0.7
109.06596	1.3
123.08135	1.5
125.09712	1.7
133.10240	4.5
133.39532	0.7
135.08185	0.9
137.09711	0.9
140.11708	0.7
149.09705	5.8
151.11273	100.0
152.11635	3.7
152.91766	3.0
161.09711	0.9
167.10759	0.9
177.09142	0.8
183.13892	20.4
184.14188	1.1
194.92786	4.4
195.10220	3.1
198.10519	0.7
211.13266	0.8
227.12895	1.1
229.49733	0.7
237.11459	0.9
255.12361	35.8
255.19685	1.2
255.23280	37.8
256.12653	2.3
256.23624	2.4
256.47534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36536	1.4
52.98303	1.4
55.01877	1.9
58.24431	1.2
59.01367	3.3
67.01882	4.0
69.03435	3.1
69.25507	7.3
69.25930	5.2
75.42704	1.3
78.87020	1.3
80.97929	1.3
81.03474	1.7
83.01382	51.1
83.05029	8.4
88.07130	1.4
90.47460	1.6
98.20673	2.6
125.09711	4.3
136.09698	1.4
145.01172	1.4
151.11337	2.8
152.91748	4.6
165.12830	2.6
166.13080	1.8
167.14366	1.6
169.12338	3.1
171.10255	37.9
175.11267	5.3
183.13875	5.8
193.12332	71.4
194.12643	4.0
194.92775	5.6
211.13377	100.0
212.13727	4.8
237.11290	2.7
250.92705	1.5
255.12384	45.7
255.15648	2.7
255.23283	54.8
256.12714	3.0
256.23511	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	256.1919
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.55030	0.4
54.85330	0.3
55.79818	0.4
59.01369	0.4
69.34843	2.5
72.04543	0.6
74.02476	100.0
75.00883	0.9
75.02791	0.7
75.46259	0.3
84.04550	1.2
96.92643	0.4
97.58755	0.4
107.03312	0.3
132.65575	0.3
139.16379	0.3
140.64452	0.4
147.94160	0.3
166.49260	0.3
194.92780	0.4
212.20261	3.3
219.84526	4.2
244.27922	0.3
255.58925	0.4
256.19202	47.5
256.23386	9.6
257.19592	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01368	1.2
59.97662	0.4
69.47197	2.2
69.47605	0.8
79.32329	0.4
98.20621	0.9
99.95823	0.4
233.19096	1.8
251.20166	100.0
252.20529	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	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.35122	0.9
51.26054	0.8
51.32503	0.9
52.02955	0.8
53.81860	0.8
53.96281	0.9
55.01869	2.9
57.03453	1.3
58.00587	2.6
58.21029	0.8
59.01376	100.0
60.01708	1.1
61.98827	28.0
68.19885	0.9
71.01379	44.2
71.21069	2.0
72.99297	4.3
73.02948	6.8
78.12280	1.0
83.01372	5.3
85.02946	9.5
87.00879	6.8
89.02441	46.8
95.01364	3.5
97.02980	1.0
99.00883	1.8
100.34023	0.9
101.02436	44.3
102.02821	1.1
113.02448	20.8
115.00369	5.1
119.03497	11.1
124.17786	1.3
125.02386	1.0
131.03487	2.2
139.02515	1.6
143.03439	4.8
149.04495	1.5
161.04544	22.0
176.87851	1.1
179.05588	8.0
193.07175	3.0
251.52899	1.1
253.09277	77.8
254.09634	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03429	1.1
58.00589	2.5
59.01377	100.0
61.98826	12.0
67.60668	0.8
69.36761	6.7
70.89201	1.2
71.01379	42.1
72.99302	2.6
73.02940	7.1
83.01401	4.5
85.02937	8.9
87.00864	3.7
87.19917	0.9
89.02444	36.8
91.04015	1.1
95.01385	2.9
97.02985	1.5
99.00884	1.2
101.02438	40.6
112.69051	0.8
113.02446	19.2
113.03239	1.0
115.41193	0.8
119.03491	8.7
121.11505	1.1
127.90083	0.8
131.03520	2.7
143.03493	4.1
149.04558	1.1
161.04543	14.6
179.05598	6.4
193.07143	3.9
225.67809	0.9
253.09282	64.3
254.09596	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
59.01381	28.5
62.11194	0.8
71.01401	0.9
73.02975	1.7
81.03453	1.8
83.05016	5.0
89.02464	1.3
93.03461	1.1
95.05032	4.1
97.06581	10.2
101.02465	2.3
104.27764	0.8
105.28500	1.1
106.04240	8.0
107.05026	3.0
109.06628	1.2
111.08165	3.3
119.05030	2.4
121.10210	5.0
123.08150	1.1
125.50691	1.2
139.69798	0.9
149.09750	1.5
159.11807	11.9
161.09747	1.7
163.11610	0.9
175.11287	3.2
177.12848	100.0
178.13222	4.2
181.02478	1.0
185.09753	1.8
193.07193	3.9
203.10782	46.5
204.11053	2.5
221.11829	37.8
222.12177	1.3
229.55067	0.9
239.12926	2.2
253.09305	2.0
253.14455	26.3
253.17188	1.3
254.14825	1.7
254.48070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01377	1.5
63.21929	0.3
69.97771	0.6
69.98149	0.6
73.49901	0.3
81.63145	0.2
81.71757	0.2
124.13895	0.3
152.01511	0.2
155.48244	0.2
169.15190	0.2
176.58714	0.3
253.21701	100.0
254.22044	5.6
254.24442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.93147	1.4
59.01378	7.9
60.65039	1.3
67.95972	1.4
68.99583	3.1
69.03458	26.9
69.43635	1.9
69.44037	9.5
80.62760	1.6
83.05024	2.4
93.03397	1.5
95.05051	2.5
96.55646	1.3
97.06586	2.0
98.20661	3.2
99.36997	1.4
112.98561	7.0
117.03445	1.6
134.07394	1.5
138.48282	1.3
149.13416	2.0
154.97353	6.3
167.10809	2.8
177.97823	1.3
187.14929	3.2
193.12325	6.6
201.31598	1.5
204.04398	1.6
205.12440	9.7
205.15976	9.2
206.16331	2.0
219.06619	1.5
221.15434	13.9
231.13882	31.7
249.14963	100.0
250.15077	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01371	1.7
59.03118	0.6
59.26181	0.6
69.82483	0.5
93.09123	0.6
98.20665	1.6
112.98576	0.8
205.19598	0.6
229.22311	0.7
231.17433	0.6
249.18573	100.0
250.14517	0.8
250.18871	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	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28294	0.4
57.03429	0.9
59.01375	7.6
60.45554	0.4
61.98813	0.4
69.03455	0.5
70.02019	1.3
70.02423	0.7
71.01389	1.6
71.05027	0.4
85.02939	0.9
96.95988	0.4
97.06582	0.8
98.20573	0.4
99.08153	0.8
101.02486	0.8
107.05028	3.1
109.06619	0.4
111.08224	0.4
121.02963	0.5
123.08151	1.2
124.60004	0.4
125.09711	5.1
126.90353	0.5
129.01857	0.5
133.06567	0.5
159.02957	0.7
168.91385	1.3
180.15736	0.4
186.44862	0.4
188.51956	0.5
191.05591	1.1
195.13904	0.7
207.17456	2.5
223.17007	2.9
233.15433	3.8
251.16505	100.0
252.16901	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	251.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01371	14.0
68.99837	0.8
69.03456	1.5
71.01378	1.9
80.09044	0.7
83.05001	1.1
85.02946	1.0
101.02458	1.5
103.03891	0.8
103.78481	0.7
129.01904	1.2
135.00887	1.5
137.56831	0.7
159.02960	0.9
161.04565	1.0
163.04004	0.9
164.00027	0.8
171.07681	0.8
191.05547	1.1
195.13879	7.3
207.13904	2.5
207.17540	5.3
223.17000	20.3
229.06392	0.9
233.15419	15.7
251.16519	100.0
252.16924	4.5
264.86420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28294	0.4
57.03429	0.9
59.01375	7.6
60.45554	0.4
61.98813	0.4
69.03455	0.5
70.02019	1.3
70.02423	0.7
71.01389	1.6
71.05027	0.4
85.02939	0.9
96.95988	0.4
97.06582	0.8
98.20573	0.4
99.08153	0.8
101.02486	0.8
107.05028	3.1
109.06619	0.4
111.08224	0.4
121.02963	0.5
123.08151	1.2
124.60004	0.4
125.09711	5.1
126.90353	0.5
129.01857	0.5
133.06567	0.5
159.02957	0.7
168.91385	1.3
180.15736	0.4
186.44862	0.4
188.51956	0.5
191.05591	1.1
195.13904	0.7
207.17456	2.5
223.17007	2.9
233.15433	3.8
251.16505	100.0
252.16901	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
56.67344	0.7
59.01378	100.0
64.23791	0.7
65.33589	0.8
70.30892	3.1
78.38475	0.9
83.04988	0.8
84.31092	0.9
87.00871	1.0
97.06608	1.8
98.20012	1.0
102.82767	0.9
151.11288	5.3
169.12361	9.8
171.10287	2.0
199.13382	7.4
201.11340	1.4
209.11729	1.2
227.12849	3.6
245.13898	40.7
246.14189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64996	0.6
58.00600	1.1
58.07061	0.7
59.01385	5.1
65.30883	0.6
65.56078	0.6
68.09489	0.6
69.40121	4.8
69.83469	0.6
71.05013	0.9
73.02950	0.7
73.19548	0.7
80.02658	1.2
81.03448	1.1
81.07054	0.7
83.05027	6.0
84.02171	2.7
98.19930	1.4
102.21344	0.6
125.06110	1.4
125.09743	3.2
127.11287	5.9
131.52869	0.6
132.79823	0.8
135.08173	0.8
137.09714	0.8
139.11371	0.8
155.10803	2.0
163.11302	3.5
164.02721	0.7
165.09198	2.0
165.12843	1.9
171.10272	2.7
181.12416	1.1
183.10272	1.4
191.10748	1.3
199.09749	2.7
201.11319	79.3
202.11693	3.5
209.11824	100.0
210.12189	4.5
227.12886	16.8
245.13885	2.6
251.75395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29825	0.4
57.94604	0.5
59.01377	41.7
69.41216	3.4
71.05020	0.7
77.50231	0.5
98.20683	0.8
104.92150	0.5
127.11282	3.8
139.11292	1.3
155.10780	1.8
157.12344	17.2
158.12651	0.6
185.11809	17.8
191.42853	0.5
201.11272	0.8
203.12869	100.0
204.13205	3.1
226.71474	0.4
245.13969	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93982	1.3
55.82312	1.4
59.01377	33.3
66.92300	1.4
69.45248	6.3
69.45666	2.3
83.05054	6.2
84.02162	2.9
86.65469	1.2
98.19908	2.3
116.05096	1.8
136.05247	1.5
163.11311	3.4
165.12854	7.6
166.05075	26.3
169.12323	2.0
183.13896	29.9
185.11818	100.0
186.12152	2.7
193.79788	1.3
199.13370	16.6
209.11813	89.9
210.12196	2.6
227.12881	47.1
228.13306	1.3
245.13916	79.6
246.00793	2.0
246.14163	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	247.1703
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
59.01361	0.5
70.69529	0.4
71.01380	0.7
89.82584	0.2
103.03996	0.4
137.45798	0.2
141.47794	0.1
145.38712	0.2
158.75821	0.1
174.99159	0.2
184.00189	0.3
186.95714	0.4
194.62907	0.2
197.34128	0.2
220.17108	0.7
231.13936	0.6
243.78136	0.2
247.17033	100.0
248.08008	0.3
248.17368	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	249.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65338	0.9
59.01369	1.0
69.03452	1.2
71.32479	1.7
112.98587	1.2
127.07695	4.4
127.08534	0.8
130.20183	1.0
141.52065	0.9
151.11253	1.5
154.97343	1.1
167.06856	2.7
169.08440	1.4
179.10718	1.3
181.12343	19.9
182.12762	1.2
183.13985	0.8
197.11734	1.4
199.07492	2.0
201.08960	4.6
203.10529	14.7
204.04317	2.4
205.08528	2.2
205.12094	3.1
211.00368	0.8
217.08450	4.4
219.06517	1.5
219.09953	7.9
221.11554	4.8
223.13139	80.0
224.13483	4.1
233.07941	8.8
235.09514	16.4
237.11061	44.5
238.11310	1.1
249.11064	100.0
249.15166	2.8
250.11456	4.1
250.14493	1.4
265.10623	5.0
267.12112	48.3
268.12466	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	245.0928
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
58.02972	25.9
59.01377	1.4
59.49961	0.8
59.65768	0.8
70.02977	18.0
72.00906	4.8
72.04550	3.9
72.08316	0.7
74.02472	98.1
76.83385	1.1
93.32930	0.9
96.05883	0.9
98.02477	25.1
116.02702	1.1
116.03544	31.5
116.05055	34.6
127.11265	1.4
130.06599	4.1
142.06616	7.1
155.07195	0.8
157.07712	0.8
159.09250	8.4
165.09109	0.9
171.10327	1.4
172.07655	0.8
178.26826	0.8
183.09233	1.3
186.05565	1.6
201.11497	21.3
203.08255	91.3
204.08511	4.1
204.11734	0.9
209.11818	16.2
227.12862	2.4
229.03999	0.8
245.09299	100.0
246.09714	4.7
246.28398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	6.0
59.01382	18.7
66.69316	1.2
69.68525	3.9
69.68944	2.7
71.01386	10.6
72.02173	3.8
72.99301	2.5
73.02950	2.4
75.00883	1.1
78.95926	1.4
81.07095	2.3
83.01368	1.8
84.02172	1.3
85.02975	1.2
87.00875	20.2
89.02435	9.5
95.05029	3.9
97.06590	14.0
98.20621	2.2
99.00895	1.3
99.08161	9.5
101.02426	2.7
105.01915	2.4
108.02153	2.7
109.06576	4.3
111.08127	1.4
112.01641	1.3
123.04541	1.5
125.06084	2.9
127.07651	100.0
128.07997	2.0
129.01917	3.1
129.09232	4.6
129.10213	1.1
130.08765	7.2
137.06090	8.4
139.07651	8.3
147.02989	4.0
149.06059	1.9
151.07709	1.4
153.09239	1.4
155.07138	39.9
155.08408	2.1
157.08740	3.0
167.07152	3.6
185.08212	6.4
210.07788	1.5
215.10454	1.4
227.10397	3.4
240.85165	1.1
245.10199	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	243.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17130	0.4
59.01377	2.5
61.98822	0.9
66.03482	1.1
71.01373	1.2
71.55418	0.7
82.06623	4.4
83.05023	0.6
83.31525	0.4
84.08161	0.7
88.04032	0.5
91.89535	0.4
93.03481	0.8
99.00809	0.5
109.01648	1.2
110.02449	0.8
112.07678	1.2
114.09247	0.6
116.07064	0.6
117.88301	0.4
119.04990	0.8
119.45966	0.4
125.09723	0.7
129.10327	4.5
130.08734	43.8
131.09126	0.7
133.02939	0.8
133.72720	0.5
135.04503	1.1
141.10312	0.9
156.03255	1.3
157.13602	0.7
163.04002	0.9
176.03964	0.4
182.15465	3.1
183.10249	0.8
189.93739	0.5
199.18146	24.5
200.10992	0.5
200.18465	1.2
201.11415	2.8
209.11809	0.6
225.11311	1.9
226.49449	0.5
243.02914	0.8
243.08728	1.6
243.11716	1.9
243.17114	100.0
244.17505	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13038	0.3
55.91404	0.3
59.01369	1.1
59.15738	0.3
59.24645	0.3
61.12733	0.4
61.98818	0.6
66.03481	0.3
70.21329	0.8
70.21681	0.7
71.01386	0.5
79.98110	0.3
80.05068	0.4
81.54954	0.3
87.30579	0.4
92.05082	0.4
101.02450	1.9
104.19879	0.3
110.02432	0.4
112.07653	0.6
114.09245	1.2
119.04984	0.4
120.28414	0.4
129.10318	3.5
130.08739	36.7
131.09065	0.7
137.06058	0.6
137.09705	0.5
141.10301	0.4
145.01448	2.3
153.05592	1.0
156.01280	1.7
176.04112	0.5
182.15517	0.6
199.18152	23.3
200.18468	0.9
200.29482	0.4
201.11453	0.6
243.17113	100.0
243.62399	0.3
244.17458	4.2
246.00801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01866	0.7
57.03452	13.7
58.52872	0.6
59.01386	1.9
61.98826	2.7
62.73352	0.7
69.03470	1.7
71.01381	0.8
71.05029	1.6
72.49905	0.6
73.02958	1.5
73.72700	0.5
81.03497	0.9
82.03044	0.7
83.05002	1.5
87.82245	0.6
88.35165	0.6
95.05051	2.2
97.06590	14.9
109.06602	1.5
110.02483	1.0
111.00887	0.9
111.08147	2.2
123.08173	8.6
125.09727	100.0
126.10076	2.7
137.09747	0.8
139.11290	8.7
149.09753	1.7
153.09186	0.8
155.10779	3.0
165.09187	1.4
167.10780	33.5
168.11172	1.5
169.08684	1.1
171.10144	0.8
183.10262	6.6
193.18802	0.7
199.13431	2.6
207.10236	1.1
211.09738	4.4
211.13354	6.3
225.11324	2.0
243.12372	50.0
243.16127	1.5
244.12721	2.5
261.60587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18864	0.4
53.49623	0.4
57.34040	0.4
59.01366	1.9
61.98821	2.4
67.01868	0.4
69.20985	4.1
78.06144	0.4
79.71341	0.4
98.34911	0.4
99.00857	0.6
109.06587	0.5
110.02443	0.5
121.54331	0.4
122.61892	0.4
125.09711	0.9
151.58665	0.4
163.11215	0.5
167.14316	0.7
171.10222	0.4
181.12303	0.7
183.13892	7.0
193.12364	1.3
196.96584	0.4
199.09772	0.8
201.11263	1.0
207.10219	1.0
211.13390	100.0
212.13747	4.5
215.12715	0.5
225.11301	2.5
242.98569	0.4
243.03087	0.6
243.06369	0.7
243.10339	0.5
243.12384	2.0
243.15817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01369	0.7
70.07882	0.6
70.40309	1.6
70.40671	0.7
71.05029	1.8
83.05025	0.8
97.02958	2.6
97.06601	1.1
99.00874	11.7
109.06630	0.7
110.03741	1.6
125.09724	4.2
136.05331	0.6
155.14388	1.7
163.11298	4.6
181.12325	14.2
197.11853	1.2
199.13417	13.0
207.10254	25.6
225.11310	50.6
226.11636	2.1
243.12361	100.0
244.12691	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.75301	1.9
57.03450	2.7
59.01374	17.7
61.98829	6.8
67.01887	2.0
67.47384	2.0
69.03461	3.0
71.01372	5.1
71.05039	1.8
71.48293	2.2
73.02920	3.2
79.31396	1.8
81.03446	3.9
83.05022	3.7
85.06564	2.4
91.34258	1.9
97.02947	8.6
97.06577	3.3
99.00890	10.2
109.06586	18.6
110.03693	2.7
123.08145	4.2
125.09721	24.5
135.08153	3.7
136.05316	3.0
141.09247	2.0
142.02687	6.5
155.14459	2.1
163.11256	17.4
171.10167	3.3
171.66376	1.9
177.96310	2.1
181.12344	18.7
184.11043	2.0
185.11845	7.2
197.11778	2.1
199.13385	32.9
201.11345	11.1
207.10249	51.9
208.10561	2.5
215.12910	3.2
225.11305	69.9
243.12349	100.0
243.16020	4.9
244.12691	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
64.65009	0.8
69.18713	2.2
69.19138	6.1
71.05022	3.7
82.07542	0.9
82.61304	0.8
83.05045	0.9
96.49718	0.8
97.02950	3.8
99.00882	17.1
102.31064	0.9
109.06593	1.3
110.03798	1.0
125.09686	5.5
135.08139	1.1
155.14423	2.5
163.11298	6.8
181.10817	1.5
181.12341	18.2
182.12697	0.9
186.57217	0.8
197.11864	1.1
199.13412	15.9
207.10263	33.8
207.12218	1.8
208.10667	2.1
225.11322	75.7
226.11661	4.1
243.12366	100.0
244.12680	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
58.00599	3.7
59.01381	16.4
60.58715	1.8
61.98837	13.7
69.03439	2.8
71.01400	3.3
71.05040	2.0
71.55435	2.5
73.02939	10.3
81.03452	4.5
83.05054	4.5
84.02181	5.1
85.02980	2.9
90.35938	1.7
93.03461	3.1
95.05073	2.5
97.02949	6.4
97.06573	1.9
99.00862	3.5
107.04998	2.3
109.06598	47.5
110.06973	2.1
111.00926	3.9
113.71412	1.7
115.47141	2.0
121.06612	3.7
123.08210	2.1
125.06078	4.4
125.09708	9.9
127.11282	2.1
135.08177	6.4
137.09709	7.4
142.02795	3.5
143.10803	2.2
146.62825	1.8
151.07651	2.0
153.09254	2.1
155.10762	5.3
161.09763	3.3
163.11295	24.0
171.10251	24.9
181.08658	3.1
181.12367	7.6
197.11736	2.8
199.09756	100.0
200.10048	4.0
207.10258	86.6
208.10629	3.9
213.11401	2.7
215.12836	18.5
225.11331	82.8
226.11803	5.3
243.03032	2.7
243.12386	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
70.19312	1.5
71.01377	1.9
71.05001	2.1
73.02930	0.7
76.80852	0.5
84.05579	0.4
97.02950	3.2
97.06578	0.9
99.00871	9.4
108.15517	0.5
109.06594	1.1
110.03713	1.1
125.09728	3.8
127.11327	3.5
153.12822	1.0
155.14412	1.4
161.40318	0.5
163.11256	4.9
171.10278	1.4
181.12331	15.4
182.12717	0.6
195.59930	0.5
197.11853	2.1
199.13380	36.5
200.13701	1.6
207.10236	24.6
208.10574	1.1
225.11299	56.2
226.11664	2.9
243.12343	100.0
244.12672	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	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16058	1.2
61.98828	100.0
71.54720	2.3
80.02649	1.2
98.24015	1.1
115.09358	1.1
138.94028	1.5
192.47905	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	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01366	2.5
65.70184	0.9
66.03485	12.4
68.01410	2.8
70.01631	3.8
71.01381	2.7
82.02980	26.6
82.70161	1.1
83.01407	1.4
84.04543	1.2
85.37297	1.1
87.15011	1.1
94.02995	2.5
96.04565	1.9
101.76433	1.0
101.95522	0.9
108.04522	2.3
110.02474	100.0
111.02003	7.6
111.02744	2.1
112.98816	2.0
114.42422	1.2
117.01880	1.1
122.02480	8.0
124.04028	3.0
132.03018	1.2
135.42947	1.1
140.03542	10.9
142.99861	1.3
152.03516	16.0
153.03058	9.9
154.91176	1.1
173.00848	1.9
185.14873	1.1
200.05644	42.7
201.05998	1.8
207.33524	1.1
243.03740	1.9
243.06201	37.6
244.06592	1.1
245.54028	1.3
250.59959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
71.05043	0.5
71.25344	0.6
75.07479	0.3
81.03465	0.4
83.05041	3.6
86.78947	0.4
95.05009	1.1
97.06596	9.9
103.84589	0.3
107.55775	0.4
109.06585	0.9
111.08161	8.4
112.08463	0.4
137.09750	0.7
147.11781	1.2
149.09714	0.4
163.11296	2.7
165.12849	100.0
166.13187	4.1
197.15468	25.1
198.15782	0.9
206.59894	0.4
209.11885	3.3
241.14433	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	241.108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60823	0.5
57.03458	0.8
59.01376	2.2
68.52027	0.5
68.99812	0.8
69.03457	2.5
71.01377	1.1
71.05037	3.2
71.55731	0.5
73.02955	0.6
83.05011	0.8
87.00890	1.2
96.91032	0.5
97.06612	0.8
99.93963	0.5
100.12662	0.5
101.02443	1.5
116.21695	0.5
123.08168	1.2
125.09740	2.0
137.09637	0.6
153.12834	2.8
161.09680	0.8
165.12900	1.1
169.12276	0.7
179.10757	4.5
181.07185	1.9
196.68817	0.5
197.11821	100.0
198.12224	3.8
223.09763	6.5
241.10803	62.1
241.21735	1.0
242.11160	1.8
245.11928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03423	0.8
69.03458	2.3
69.47398	5.4
71.05011	3.2
76.67554	0.7
97.06596	1.0
98.19991	1.4
113.47744	0.6
125.09698	1.2
151.11253	1.4
152.71153	0.7
153.12892	3.7
161.09723	1.3
179.10771	5.1
197.11813	96.0
198.12167	3.4
214.59842	0.8
218.68291	0.7
223.09753	2.3
241.10802	100.0
242.11145	4.6
263.03601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26856	0.5
57.03442	3.1
59.01366	0.9
61.98841	0.5
69.03448	2.3
69.25575	0.5
70.60345	1.6
71.05000	1.0
74.44147	0.5
77.19523	0.5
81.72664	0.4
83.05024	2.6
89.77236	0.5
95.05005	1.7
97.06567	3.5
101.02428	0.7
109.06554	0.8
111.08149	9.9
123.08121	0.5
135.08107	0.5
137.09715	0.9
140.84521	0.5
142.21086	0.6
163.11275	2.4
165.12834	100.0
166.13176	4.0
181.07219	1.1
181.12331	0.7
191.10776	1.3
191.69475	0.5
197.15399	2.8
209.11800	9.4
210.12228	0.6
227.12921	1.4
241.14410	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97108	0.8
59.01376	100.0
59.81848	1.1
69.69827	0.8
70.82854	1.6
71.01375	3.2
73.02932	1.5
74.16891	0.8
79.42960	0.9
83.01371	1.9
85.02933	3.4
87.00874	17.4
89.02451	1.1
96.36165	0.9
97.02950	1.4
97.76916	1.0
99.00894	5.7
101.02424	2.5
117.01886	2.9
125.01624	0.9
125.02405	4.8
138.15271	0.9
141.01888	2.3
159.02948	1.7
161.04552	15.7
168.05336	0.9
177.03944	1.6
179.05602	93.9
180.05916	2.0
239.07669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0925
Annotation	CMPF
Peak:m/z	Relative Intensity
50.65863	0.5
52.43335	0.5
59.01382	100.0
60.01715	1.3
64.12006	0.6
69.50378	3.5
69.50793	1.3
70.59309	0.6
71.01409	1.0
77.06850	0.6
81.03455	1.4
85.02943	3.2
87.00883	7.6
95.05035	1.8
96.95956	0.7
97.02959	1.0
97.06607	2.0
99.00886	1.9
101.02472	1.5
109.06615	2.2
113.02408	0.6
117.01921	0.9
121.03004	0.7
125.02427	1.4
135.08148	1.4
141.01991	0.7
141.05600	7.2
151.11282	2.4
159.02979	0.9
161.04565	6.0
177.04051	0.8
177.09215	2.0
179.05614	39.4
180.06004	1.4
195.10258	24.4
239.09270	22.7
240.09644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73629	0.3
59.01380	3.9
69.28123	2.6
69.28526	0.9
77.22557	0.5
87.53607	0.4
101.35718	0.4
177.12849	3.2
179.05620	2.5
192.21924	0.4
195.13902	100.0
196.14249	3.5
203.10667	0.5
207.83727	0.4
239.12886	13.2
240.13351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2015
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
52.88456	0.4
57.31877	0.4
59.01373	8.2
60.25970	0.4
69.89694	2.0
71.01374	1.2
80.20959	0.4
80.76682	0.4
87.00870	1.2
87.37449	0.4
94.95694	0.4
161.02338	0.5
161.04552	1.1
176.34749	0.4
179.05602	4.9
194.98303	0.4
221.19141	1.5
239.06715	0.6
239.20154	100.0
240.20436	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	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95604	0.7
57.03409	0.7
59.01381	99.2
64.33435	0.7
69.55022	0.6
71.01350	4.3
71.01751	1.3
71.02054	0.7
71.14698	0.6
73.02961	2.5
83.01387	1.6
85.02959	5.2
87.00880	22.2
89.02438	1.7
92.22301	0.7
97.02974	2.3
99.00874	4.7
101.02459	2.6
109.59338	0.6
117.01951	4.6
125.02427	4.0
129.01993	0.7
141.01942	2.0
159.03026	1.8
161.03261	1.0
161.04561	17.2
177.04080	1.3
179.05612	100.0
180.05910	1.9
205.61653	0.9
239.07788	1.3
248.82817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1494
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03443	16.1
59.01368	3.6
60.45282	0.4
61.98851	0.4
64.76314	0.5
71.01357	0.6
71.56571	0.5
73.02958	0.6
83.05041	3.1
97.06606	0.5
102.72492	0.5
108.18149	0.6
109.06592	0.8
139.11349	0.8
149.09683	0.5
149.22864	0.5
165.12961	0.5
167.10718	2.6
177.12816	0.8
179.10803	3.3
193.15987	2.9
195.13939	4.2
196.14212	0.5
200.53407	0.5
209.15317	0.6
219.13922	1.3
237.14938	100.0
238.15305	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	235.1703
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
59.01382	4.9
61.01810	0.2
61.98830	0.3
71.01371	0.6
73.02943	0.2
83.05024	0.6
84.22814	0.2
85.02956	0.2
93.03437	0.2
97.06572	0.2
98.19821	0.3
101.02429	0.3
102.38325	0.1
105.74093	0.2
113.41463	0.2
127.18239	0.2
135.04517	0.2
143.70316	0.1
148.05290	0.5
163.14937	0.6
191.03610	0.2
191.07138	0.7
191.18073	2.0
217.15973	1.2
218.78604	0.2
233.15448	1.2
234.15630	0.2
235.17030	100.0
236.17355	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	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81300	0.1
59.01382	0.3
61.98846	0.4
62.54857	0.1
62.57526	0.1
71.01379	0.1
71.55856	0.2
134.03743	0.4
135.04535	0.2
135.30511	0.1
136.05322	0.4
147.04550	0.2
148.05307	6.7
149.06062	0.4
149.09729	1.0
151.07600	0.1
159.08191	0.2
161.02344	0.2
162.06854	0.3
163.07823	0.1
175.07544	0.2
176.08446	0.4
177.09213	36.8
178.09525	1.1
180.07893	0.1
190.09990	1.6
191.10791	0.6
192.11568	27.4
193.11891	1.2
201.09232	0.3
203.07175	0.6
206.09578	0.2
209.15436	0.2
217.08714	2.8
218.09480	7.4
219.09720	0.3
224.10641	0.1
225.04393	0.1
236.10533	100.0
237.10922	4.4
237.14632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.135
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.71450	0.5
58.42144	0.5
59.01372	2.9
61.22455	0.5
69.73071	2.8
71.01373	0.7
71.05013	0.6
72.99302	3.7
73.02943	0.6
73.04070	14.2
77.32897	0.4
83.05058	0.7
87.00871	1.5
87.92521	1.2
95.90302	0.4
96.95997	0.4
97.02985	0.6
101.13448	0.5
115.00417	0.9
130.08742	88.3
131.09058	1.3
132.98207	1.7
137.69057	0.5
141.10391	0.7
143.11905	22.9
143.13048	1.1
157.69556	0.4
169.08649	0.6
170.88356	1.8
171.06703	0.7
187.10881	100.0
188.11191	2.3
188.97186	3.4
217.30589	0.5
231.08714	1.4
231.13493	29.2
232.13779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.16
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03440	0.9
59.01384	2.1
62.98894	0.3
71.54819	0.5
73.47952	0.3
85.53738	0.3
87.04540	0.3
87.92477	0.4
99.08152	0.6
116.05057	0.6
125.09675	0.6
127.07603	0.3
127.10446	0.5
127.11286	2.7
134.03741	3.6
135.13130	0.3
145.08704	2.7
155.10765	0.4
155.14439	0.6
171.10252	4.3
183.13771	0.3
185.11783	1.6
191.94121	0.3
195.13905	0.5
213.11325	0.4
213.14948	4.2
229.14424	2.8
231.15991	100.0
232.16339	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03452	9.9
59.01381	100.0
59.31600	1.0
67.01910	5.7
68.99806	2.3
71.01382	42.2
71.35913	1.1
72.99290	2.7
73.02949	10.1
78.52007	1.1
80.17310	1.2
83.01389	10.6
83.07923	1.1
85.02962	9.0
87.00879	3.1
93.03448	8.5
93.28320	1.1
96.99332	1.3
99.00889	19.6
101.02443	9.8
104.03541	3.5
104.58641	1.1
111.00880	19.9
111.04566	1.4
115.00362	2.6
129.01941	27.4
129.05531	2.3
143.04611	2.9
172.94962	1.4
173.00890	3.6
173.04550	16.4
189.07878	1.2
233.06631	3.4
233.10304	3.4
233.15480	12.6
234.09787	2.4
235.39079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.5
57.03445	12.5
59.01378	100.0
67.01884	7.4
68.99809	4.0
70.28060	5.8
71.01379	55.9
73.02947	13.5
83.01390	11.7
83.35147	1.8
84.22272	1.8
85.02935	10.3
93.03458	6.4
95.61799	1.9
98.20562	2.1
99.00886	27.7
101.02443	14.4
111.00877	25.0
111.04552	1.9
115.00379	3.6
117.36310	1.8
129.01942	31.9
130.56844	1.8
173.00874	4.1
173.03334	2.0
173.04533	10.7
199.84398	1.8
211.57060	2.0
233.10301	2.3
233.15385	7.2
238.64775	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74691	0.2
56.08374	0.3
59.01380	8.7
59.96735	0.4
60.97519	0.4
63.42479	0.3
67.01897	0.6
67.98158	0.2
71.18425	0.6
74.99068	7.0
75.00881	0.4
91.02227	1.0
91.44571	0.2
93.00144	1.1
93.03456	1.8
94.83844	0.3
96.96026	0.3
110.06934	0.2
118.96234	1.2
134.99408	5.8
135.71367	0.2
136.97353	1.4
141.07407	0.5
143.05336	1.0
149.00960	60.9
150.00964	1.7
150.98862	0.6
159.08472	1.6
160.28462	0.2
161.06413	3.0
173.04555	1.9
201.04028	0.3
215.05605	1.1
215.09232	0.3
217.07205	87.2
218.07317	4.4
233.10335	100.0
234.10492	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	235.061
Annotation	CHEBI:67765
Peak:m/z	Relative Intensity
52.28277	1.0
58.00590	4.1
59.01373	16.8
64.50632	0.9
64.52451	0.9
67.63419	0.8
68.99796	1.2
69.03448	6.0
71.01384	6.2
71.55267	1.4
73.02934	2.3
83.01382	1.5
85.02956	3.4
87.00880	1.0
93.03458	24.1
97.02975	1.5
99.00877	1.0
101.02429	2.7
108.02151	2.0
111.00842	1.3
113.02452	1.1
117.03416	4.6
119.05019	6.8
121.02955	4.1
130.04243	11.3
131.05016	3.5
132.05811	15.8
133.02959	0.9
133.06613	11.6
134.03743	1.7
134.06906	0.9
135.04634	0.9
143.05022	18.7
144.05769	1.2
145.02954	17.1
145.06586	41.0
146.03635	1.1
146.06940	2.4
147.04538	6.6
147.08174	1.1
148.01686	1.1
148.05379	1.7
149.06073	1.4
158.03709	7.9
159.04526	4.0
161.02420	2.6
161.04732	0.8
161.06064	26.1
162.03236	1.0
162.06419	0.8
163.03984	3.7
163.07631	59.9
164.06935	1.3
171.04494	5.8
172.05263	3.8
173.06052	36.8
174.03304	1.2
175.03981	6.4
176.04778	2.6
177.05623	1.0
191.07123	100.0
192.07462	4.2
205.04965	1.5
220.03671	2.1
231.08543	0.9
235.06107	9.4
235.09879	1.6
235.13577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1236
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
52.71421	0.6
53.86922	0.6
57.69138	0.6
59.01377	33.1
62.08904	0.6
68.78943	0.8
68.99799	0.7
69.24897	6.9
71.01373	1.0
72.99310	1.1
75.00881	2.8
76.75497	0.9
90.72319	0.7
93.03471	1.5
97.06601	1.8
98.19859	1.2
99.08169	0.9
113.06096	1.7
113.74261	0.7
125.06083	5.1
127.07640	1.6
127.11305	2.3
134.03755	8.8
151.11278	4.0
152.03526	3.5
153.09239	1.4
155.10741	1.2
167.10648	1.0
169.10866	1.7
169.12326	27.8
171.10262	100.0
172.10587	3.2
173.04517	0.9
175.53610	2.5
178.02657	1.9
185.11827	6.5
187.07585	1.3
188.14427	0.9
195.10246	0.8
199.09773	1.4
213.09254	1.7
213.11281	13.2
216.04529	0.7
231.12340	62.8
231.15901	1.6
232.12759	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	229.1557
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.48778	0.5
55.00254	0.5
57.03438	0.7
59.01380	1.0
61.98814	0.6
69.26948	4.9
71.01392	0.6
75.00866	0.7
87.00880	1.0
96.18769	0.5
97.49605	0.6
98.06118	0.6
99.00899	0.6
99.92537	0.6
111.08139	0.5
114.09267	0.9
115.08809	4.8
115.55760	0.5
127.07646	0.7
130.08739	29.7
170.88376	0.8
185.06003	0.7
185.16580	29.1
186.16946	0.6
229.02821	0.7
229.10971	4.6
229.15572	100.0
230.15865	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	231.1236
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
57.03429	1.1
59.01381	5.1
59.75525	0.8
63.29258	0.6
70.85913	0.9
71.56435	1.0
72.99293	1.7
83.05010	0.8
87.92509	1.4
90.60314	0.8
95.63486	0.8
96.95982	0.7
97.06577	3.9
109.06596	2.0
123.08176	2.1
125.09712	13.8
134.03702	1.7
135.04472	0.9
137.09712	3.6
153.09212	55.4
153.61998	0.8
154.09604	1.2
155.10771	32.3
170.88400	1.5
171.10258	15.8
172.10522	1.0
175.53629	2.8
178.02666	0.8
179.03383	0.9
181.08678	2.3
185.11818	13.1
199.09749	9.7
208.14922	0.7
211.12019	0.8
213.11385	1.6
213.13924	1.7
231.12352	100.0
231.14816	7.7
232.12703	3.0
232.15163	0.7
246.63814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01873	0.2
57.03429	0.9
57.03696	0.3
60.24543	0.2
71.05003	0.2
83.05025	0.8
84.02140	0.2
85.02966	0.6
94.07344	0.2
97.06579	0.4
98.20694	0.3
104.38096	0.2
125.09714	2.0
127.11285	3.5
155.14418	0.9
160.45039	0.2
165.12820	0.9
167.14392	2.1
171.10255	3.2
174.41609	0.2
183.13885	1.4
193.12291	0.5
200.83911	0.2
209.11801	2.7
211.13377	9.5
212.13667	0.3
229.14426	100.0
230.14767	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03444	0.4
57.55621	0.3
62.58468	0.3
67.47619	0.3
69.38721	0.3
70.63718	0.4
70.64088	1.1
71.05025	0.5
79.71796	0.3
80.74010	0.3
147.87437	0.4
165.12846	0.7
167.14417	36.8
168.14784	0.8
185.15466	1.1
211.13393	58.8
212.13788	2.2
229.14445	100.0
230.14732	3.3
230.53857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
64.17883	0.2
69.41770	1.3
69.42172	0.3
71.05022	0.7
80.02670	0.2
83.05010	0.3
84.02172	0.6
85.02951	0.7
97.06598	1.2
123.08173	0.3
125.06111	1.3
125.09737	4.0
127.11277	5.0
155.14404	2.1
163.11240	0.2
165.12846	0.7
167.14413	1.8
171.10237	0.5
183.13921	0.7
185.15411	0.3
201.11302	0.6
209.11813	1.7
211.13382	2.8
215.76448	0.2
229.14429	100.0
230.14804	3.7
245.28310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03440	1.0
61.76129	0.3
69.60198	0.3
71.01328	0.8
71.05037	0.3
72.55061	0.3
74.88634	0.3
83.05025	0.4
84.02158	0.5
85.02960	0.6
97.06638	0.4
125.09745	2.9
127.11295	3.6
131.31396	0.3
155.14455	1.9
165.12860	0.7
167.14400	1.2
171.10271	3.6
183.13870	0.9
185.11911	0.4
187.75491	0.3
193.12273	0.4
201.14854	0.3
202.56229	0.3
209.11823	2.9
211.13422	5.5
227.12914	0.3
229.14433	100.0
230.14804	3.9
248.13472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.7
64.70286	0.6
69.03450	1.0
71.01379	7.9
71.56437	0.8
73.02953	0.6
81.11498	0.5
84.02158	5.5
85.02984	0.9
86.62891	0.6
87.12569	0.7
95.05023	1.6
97.02979	0.9
97.06584	32.7
98.06904	0.7
107.05019	3.5
110.03756	1.6
110.24129	0.5
123.08215	1.3
125.06077	100.0
125.09703	9.1
126.06414	1.8
142.01649	1.3
153.09160	0.9
183.08865	0.6
185.09723	0.7
185.11758	1.1
185.95660	0.6
197.58810	0.6
201.11284	2.8
211.13437	0.7
229.08705	1.2
229.10844	9.2
229.14389	8.4
238.65474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66498	0.5
52.66782	0.4
53.56312	0.4
56.12001	0.5
71.41123	0.4
92.01936	0.5
98.20695	0.6
111.08141	0.9
136.34291	0.4
159.26576	0.5
165.12837	23.4
166.13174	1.2
183.13892	100.0
184.14261	3.8
209.11804	1.6
227.12877	29.8
228.13126	1.3
229.38194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17899	0.5
69.25637	4.2
72.07153	0.5
89.53740	0.4
98.19939	1.0
111.08173	0.6
116.75275	0.5
116.89668	0.4
117.84311	0.5
124.18092	0.5
132.18669	0.5
153.49272	0.4
165.12839	17.9
182.38620	0.5
183.13885	100.0
184.14175	2.3
209.11803	2.0
227.12872	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04198	17.4
59.01389	30.6
61.98820	29.0
65.02396	19.1
69.33984	50.9
69.34403	100.0
71.01351	19.8
73.02936	18.5
85.02983	23.1
87.00870	25.2
89.96817	16.0
95.01357	22.2
96.96011	22.1
97.02950	39.3
98.19930	35.8
99.00912	43.3
101.02454	17.2
113.02435	20.6
115.92077	25.8
121.05161	16.5
123.00851	31.2
123.08237	18.2
144.00172	25.6
157.09749	21.4
166.99878	19.4
167.10703	19.7
229.01469	21.2
229.10773	38.0
229.14433	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.17996	0.3
55.51098	0.3
58.00585	0.8
71.32433	0.7
84.02153	0.5
95.05035	1.2
109.06548	0.4
128.48141	0.4
139.11301	0.9
146.66110	0.3
151.11331	1.9
153.12863	4.1
155.14520	0.7
163.11256	0.8
165.12857	2.5
174.88426	0.3
175.66946	0.4
181.12354	2.5
183.13855	0.9
191.10669	0.5
199.13387	8.4
209.11821	9.4
210.12280	0.4
222.55173	0.3
225.11301	0.4
227.12878	100.0
228.13206	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	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
70.68512	1.0
80.02666	1.3
81.03451	1.5
83.01392	0.8
83.05024	6.4
84.02159	3.7
95.05008	1.2
125.06061	1.0
135.08162	0.9
163.11266	5.2
165.12846	4.1
181.12306	0.8
182.92397	0.4
183.13844	0.4
191.10735	1.3
199.13321	1.2
209.11807	100.0
210.12117	3.5
216.97809	0.3
227.12878	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	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
62.17498	0.3
70.26174	0.6
70.26563	0.6
71.05022	0.5
80.02681	1.7
81.03442	1.7
83.01387	0.7
83.04565	0.6
83.05025	6.0
84.02174	3.4
93.03431	0.3
95.05036	0.9
97.30669	0.3
101.98392	0.3
106.73799	0.3
125.06026	0.7
125.09731	0.5
135.08183	0.8
136.28249	0.3
153.12830	0.4
163.11247	4.9
165.12848	3.2
181.12381	0.7
191.10771	1.3
199.13377	0.5
209.11809	100.0
210.12148	3.0
227.12883	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	227.129
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
57.03382	1.0
58.00540	2.1
59.01374	5.2
63.78423	0.7
69.03419	0.8
69.21804	6.8
70.02956	0.6
71.01326	1.1
73.02887	0.9
77.23933	0.6
80.02669	1.6
81.03419	1.7
83.01355	1.2
83.05028	5.7
84.02157	4.3
85.02887	0.9
95.04988	1.5
97.06554	0.8
108.27586	0.7
109.06546	1.2
111.08110	1.0
135.08041	0.7
139.11252	1.9
141.12799	3.0
151.11230	1.9
153.09198	1.2
153.12808	0.8
163.10078	0.7
163.11270	5.2
165.12845	8.0
167.10741	1.2
169.12366	7.6
171.13911	1.9
173.18277	0.7
181.07117	1.0
181.12332	3.0
183.13904	18.3
184.14447	0.8
191.10756	2.0
195.10295	1.0
197.11852	1.0
199.13403	30.3
200.13756	0.9
209.11829	100.0
210.12209	3.7
227.12900	34.6
227.16502	1.6
227.20157	3.6
228.13272	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	226.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16706	0.5
53.48199	0.6
55.01886	0.5
56.92258	0.5
59.01376	1.1
59.83387	0.6
60.64318	0.5
66.03511	0.8
69.38519	2.0
69.38940	1.9
71.01374	0.6
71.05014	4.0
72.99298	0.7
81.03458	3.0
83.05024	36.1
84.02172	1.5
84.05331	0.6
85.06574	0.6
86.03089	0.5
91.08385	0.5
93.03455	0.7
96.62392	0.5
99.04519	0.8
100.07343	0.5
110.06107	1.3
111.04517	66.9
112.04794	1.2
112.30843	0.5
112.98840	0.8
114.05604	100.0
115.05966	1.0
127.04037	0.5
138.01962	0.6
138.09306	0.6
139.07610	0.7
163.11317	0.7
164.07170	0.8
164.10759	1.3
165.12825	0.9
182.08273	0.8
182.11848	2.3
183.13847	0.5
198.69835	0.6
202.15768	0.5
209.11821	19.8
226.08493	1.0
226.10826	19.8
227.09171	1.0
227.11005	0.6
227.12953	1.2
227.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
57.03447	4.4
69.03451	1.7
69.81876	1.5
69.82293	2.3
81.03484	1.7
83.05021	4.3
91.67363	0.6
93.03469	0.9
95.05022	4.2
97.06584	23.0
101.02471	0.7
109.06509	0.7
109.49519	0.6
110.37547	0.6
111.00819	0.6
120.97329	0.7
128.86189	0.6
133.10204	3.7
135.08162	1.2
142.14867	0.6
149.09714	3.2
151.11275	100.0
152.11627	2.9
158.70499	0.6
165.12817	1.0
165.97047	0.8
177.09244	1.9
183.13808	3.5
190.55356	0.7
195.10248	18.8
196.10570	0.9
209.11809	8.7
213.11232	1.2
213.26636	0.6
227.04829	4.6
227.10742	1.3
227.12872	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	225.1133
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
54.91199	0.4
59.01378	4.2
62.68589	0.4
63.69297	0.4
69.21362	3.5
69.90635	0.4
83.05020	0.9
83.63644	0.4
93.03474	0.9
97.02872	0.4
111.09951	0.4
137.02434	0.5
163.11278	4.2
181.12343	100.0
182.12666	4.0
195.02905	0.4
207.10249	3.1
225.00270	0.5
225.11328	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	225.1496
Annotation	MKN-003C
Peak:m/z	Relative Intensity
59.01382	3.8
61.01833	0.3
61.98830	0.7
63.91983	0.3
70.29524	0.3
71.01411	0.3
71.04968	0.3
83.05021	1.2
89.78473	0.3
93.03419	0.4
95.05000	0.3
97.02956	0.3
97.06607	0.6
98.19854	0.7
101.02439	0.3
109.06591	1.2
109.59351	0.3
135.11835	0.4
137.02397	0.3
151.11246	0.4
163.11331	0.8
163.14923	1.0
169.12381	0.6
178.83481	0.5
179.14478	0.4
181.12331	2.5
181.16028	0.5
189.12836	0.5
195.13905	9.5
197.15477	4.8
204.10251	0.3
207.10532	2.5
207.13901	22.7
208.14223	1.2
210.05348	0.4
225.11319	5.0
225.14960	100.0
225.92595	0.3
226.15317	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03438	0.8
59.01376	5.4
65.00312	0.9
68.45035	0.6
69.03452	0.7
69.34888	4.5
71.01365	0.6
71.15672	0.5
80.02683	0.6
81.03461	1.8
83.05029	1.8
84.02143	1.0
85.02950	1.0
87.69538	0.6
93.03442	2.7
95.05004	0.7
97.02958	8.0
98.19935	1.3
99.00869	1.0
101.02388	0.7
107.05087	0.6
109.06594	19.4
110.03730	2.7
121.06619	1.0
121.12646	0.5
134.02222	0.5
135.08159	2.1
136.05315	1.1
137.02444	0.7
142.02711	4.2
145.10245	0.6
153.12888	0.8
161.09657	1.1
163.11296	15.3
170.17986	0.6
178.83371	1.4
179.10741	1.1
179.32080	0.6
181.12347	13.8
184.32619	0.6
189.09254	1.1
197.11813	1.0
205.63402	0.6
207.10260	64.2
208.10597	2.1
210.05389	0.6
219.59431	0.6
225.11317	100.0
225.14969	2.5
226.11615	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	225.1132
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.84592	0.4
59.01373	2.1
59.93512	0.3
69.03449	0.5
70.30715	1.6
71.05038	0.5
81.03466	0.6
83.05029	1.0
86.49075	0.4
95.95578	0.4
97.02948	9.7
99.00888	3.4
102.99697	0.4
109.06590	7.1
110.03718	5.0
110.06888	0.4
111.04539	0.7
121.06571	0.6
123.04502	0.4
125.09692	0.7
135.08185	1.8
136.05304	1.9
137.05992	0.4
142.02704	3.1
145.10150	0.4
153.12796	0.5
161.09726	1.0
163.11295	12.3
164.11569	0.6
179.10786	1.0
181.12329	26.0
182.12669	0.8
189.09271	0.6
197.11804	1.3
207.10246	68.3
208.10583	3.6
225.11301	100.0
226.11617	4.1
241.27441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
54.45283	0.6
57.03442	0.9
59.01378	6.0
67.44306	0.8
69.03455	5.6
69.89858	1.5
69.90276	1.8
71.05029	1.6
71.56992	0.7
72.73223	0.8
83.05016	1.1
85.06587	1.2
93.03439	0.6
104.88943	0.7
109.06589	1.5
125.09736	0.9
149.09753	1.2
152.37355	0.7
153.09164	0.8
167.10814	6.6
177.12930	1.6
179.10851	4.1
179.14410	10.1
182.09232	0.8
183.45023	0.8
189.31148	0.7
195.13914	28.0
205.12331	20.5
206.12735	0.9
223.13388	100.0
224.13803	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28867	3.3
55.01875	6.6
57.03440	17.3
59.01377	43.8
63.34329	3.0
65.27399	3.2
65.33440	3.3
70.88181	8.3
71.01378	18.4
72.99308	4.6
73.02933	5.1
75.00868	5.4
75.65109	3.0
78.95913	10.5
83.01360	15.3
85.02950	100.0
87.00874	11.6
93.76967	3.1
99.00898	3.6
101.02444	13.7
103.00375	4.9
105.77772	3.2
111.00872	49.8
129.01944	39.6
136.19070	2.7
147.03001	7.0
163.06117	6.8
205.03511	54.7
223.04575	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1192
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.90065	0.8
52.36076	0.9
59.01379	100.0
60.01696	1.0
64.75877	1.0
71.01376	2.9
71.05009	1.9
71.54591	1.8
73.04064	8.4
85.02945	1.9
87.00874	10.8
88.04029	7.1
89.02440	1.0
90.97147	2.5
93.03478	1.1
96.96011	16.3
104.24324	0.9
112.23016	0.9
114.09218	1.5
130.08739	68.1
132.98219	2.2
141.10344	1.7
143.11902	18.9
146.08218	4.6
173.04593	3.6
173.57777	1.2
174.99232	30.4
175.09723	2.9
182.16791	1.1
187.10869	88.0
188.11203	2.1
199.11052	1.7
217.00259	31.6
217.05127	1.4
217.07202	2.0
217.11949	47.1
218.10399	2.7
218.12259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
55.01878	1.7
59.01383	6.2
60.01712	1.4
70.08531	2.2
71.01385	12.7
71.05020	15.8
72.00916	0.8
75.00874	4.4
88.04044	100.0
89.04400	0.9
91.27376	0.5
96.96053	1.1
99.04540	5.4
115.00401	1.3
116.03493	0.6
116.07175	2.7
129.05629	1.1
139.72772	0.5
146.08237	50.3
147.08586	1.1
166.74918	0.4
174.01979	0.7
175.04030	0.5
175.99521	0.5
218.00732	1.3
218.10324	32.7
219.10631	1.6
219.17543	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
55.02105	1.0
57.03444	17.6
58.00607	1.3
59.01377	28.6
61.98822	2.4
67.01883	1.7
68.99810	2.4
71.01379	22.6
71.21284	1.7
72.60885	1.1
72.99314	7.7
73.02950	4.8
75.00861	7.6
76.88600	0.8
80.96523	2.0
83.01381	14.3
84.02161	3.3
85.02945	100.0
86.03281	1.2
87.00893	6.0
89.02412	2.0
99.00866	4.4
101.02441	15.5
103.00358	2.7
111.00878	42.4
112.98800	15.0
115.00388	1.7
117.01962	1.3
119.05003	1.0
121.02934	2.2
125.02378	1.1
129.01941	24.5
131.65852	1.0
133.05042	1.2
145.01373	1.5
147.02946	6.6
161.04500	3.4
163.06055	1.8
165.01913	1.2
187.02411	2.0
191.01907	4.7
200.09000	1.1
205.03503	34.9
208.03740	1.2
223.04565	41.7
223.07973	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	215.1651
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.70592	0.4
54.60244	0.3
59.01370	0.7
61.98816	0.4
64.53542	0.4
69.22923	2.5
69.23331	0.9
71.01375	0.8
75.12894	0.4
87.13763	0.4
89.02431	0.6
98.20708	0.5
101.02453	0.5
105.25374	0.4
111.08132	0.4
139.11292	5.7
140.04683	0.4
144.00928	1.3
167.14371	0.4
169.15985	5.3
171.02000	0.4
183.10306	2.5
192.71056	0.3
197.11914	0.5
197.15530	1.8
198.98312	0.4
201.11319	0.6
213.14998	0.7
215.01013	11.3
215.03076	0.7
215.12965	3.5
215.16505	100.0
216.16826	3.2
226.14662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1081
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
52.02818	0.5
59.01382	46.4
69.08717	0.5
69.46702	4.5
69.60310	0.6
97.06604	0.7
98.20662	1.1
104.32816	0.6
107.46102	0.6
113.02404	0.7
113.09758	3.1
118.38835	0.8
125.09734	1.5
127.11294	2.2
132.98126	0.6
137.09731	2.5
153.09225	0.9
155.10782	32.0
156.11102	0.9
157.08704	2.1
159.51181	0.6
171.10271	47.3
172.10655	1.1
174.99193	3.3
179.05693	0.6
187.67683	0.5
199.09763	5.5
217.00288	4.2
217.10800	100.0
218.11151	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	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.43448	0.3
69.03476	0.4
71.49932	0.6
71.52052	0.3
80.86297	0.3
84.02149	0.8
93.54624	0.3
97.06608	1.2
123.08150	0.5
125.09723	1.2
137.09749	1.7
151.11290	12.2
153.09236	1.4
169.12341	100.0
170.12660	2.3
181.08727	1.2
183.13853	0.6
195.10236	0.9
195.13916	0.6
197.99068	0.4
213.11320	24.5
213.14665	3.9
214.11699	0.9
227.84424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03423	0.4
69.03458	0.4
69.18204	3.1
73.56854	0.3
84.02144	0.4
95.05062	0.4
97.06580	0.9
125.09693	0.5
136.22867	0.3
137.09697	1.1
151.11273	14.3
153.09203	0.7
154.03708	0.3
169.12326	100.0
170.12672	3.4
181.08786	0.8
183.13910	0.6
195.10243	1.1
195.13864	0.3
196.55191	0.3
213.11302	18.8
213.14706	3.3
213.18523	0.4
214.11662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
59.01375	0.3
65.30855	0.2
71.32100	0.4
87.78851	0.2
94.46069	0.2
101.21445	0.2
139.55379	0.2
144.69296	0.2
159.89827	0.2
177.12848	0.4
180.45741	0.2
183.13901	24.9
184.14252	0.9
194.48117	0.2
195.13901	20.1
196.14261	0.7
211.13351	0.5
213.14958	100.0
214.15309	3.5
228.00876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0924
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01379	4.7
59.18562	0.9
59.51191	0.8
65.55280	0.8
69.55080	0.7
71.01392	1.8
71.09814	1.7
73.02955	1.6
80.67652	0.7
84.72971	0.8
85.02960	0.9
87.00890	1.5
87.60340	0.6
89.02448	1.7
95.05044	1.2
97.06614	2.2
99.00888	0.9
101.02438	1.2
103.14792	0.8
107.05007	0.9
108.55484	0.8
111.08156	1.8
123.08154	1.0
125.06155	0.7
125.09731	7.5
127.07653	0.9
127.09632	0.7
127.11304	3.9
127.21882	0.7
132.95522	0.9
143.10800	7.1
144.00908	5.0
152.95906	0.8
153.09247	4.5
154.08727	0.9
155.07141	4.3
171.02016	2.0
171.10268	100.0
172.10670	1.9
200.04837	1.4
215.00990	46.3
215.07306	4.1
215.09225	90.5
215.12793	5.0
216.01384	2.1
216.09648	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	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
59.01365	2.4
61.30077	0.6
68.99803	1.7
70.87469	0.5
70.87816	1.2
71.01359	1.1
71.05016	0.6
83.04987	0.9
84.02174	0.8
95.05032	0.7
97.02930	0.9
97.06554	0.7
123.08159	0.9
125.09740	1.4
127.11269	1.4
137.09712	1.9
139.11304	2.7
139.89561	0.5
141.12837	1.9
151.11272	1.9
153.09178	1.8
155.10747	3.2
157.12347	1.1
167.10756	4.9
167.14401	1.2
168.98885	0.6
169.08676	0.5
169.12366	3.5
181.08665	1.0
183.10309	0.5
183.13861	1.9
185.11823	73.5
186.12143	1.9
195.10254	11.6
195.13907	2.3
197.99089	0.6
213.01256	2.2
213.11327	100.0
213.14796	24.3
213.18301	1.5
214.11601	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	213.1131
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
53.46912	0.4
56.55498	0.4
57.03444	4.2
59.01369	1.4
69.03452	1.1
69.34771	0.4
71.05028	0.6
71.56354	0.4
81.03450	0.5
83.05020	1.7
85.06599	0.6
91.02689	0.3
95.05035	0.6
107.41772	0.4
109.06608	0.8
111.08153	8.2
119.08658	0.5
123.08157	36.1
124.08452	0.8
125.09709	4.1
127.11274	0.6
137.09721	7.2
139.11287	56.7
140.11595	1.5
141.09200	0.6
149.09737	0.5
151.11281	9.8
153.09204	0.7
155.10815	1.0
167.10767	2.6
168.98929	0.5
169.12343	6.2
183.13901	1.3
185.11790	2.6
195.10266	0.4
195.13918	1.3
196.67479	0.4
197.99223	0.9
208.72626	0.4
213.01323	1.4
213.11311	100.0
213.14867	8.2
213.18500	1.4
214.11618	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.68889	0.1
55.99722	0.1
57.03450	0.3
59.01383	0.2
61.98839	0.1
67.01888	2.2
69.03443	0.3
69.24683	0.2
69.25090	0.8
79.77065	0.1
80.58945	0.1
81.16956	0.1
83.05018	0.9
85.06595	0.4
95.01383	0.2
95.05061	0.2
97.06606	0.3
115.24377	0.1
123.08154	0.5
125.08810	0.3
125.09723	4.3
139.11278	0.2
151.11278	0.3
159.22520	0.1
162.25357	0.1
166.91116	0.1
167.10754	0.1
167.14410	3.4
168.14780	0.1
175.11281	0.3
177.83664	0.1
183.13889	0.5
193.12366	0.5
205.11304	0.1
210.91389	0.2
211.13388	100.0
212.13747	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	211.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39736	0.3
58.89624	0.3
67.01889	0.4
69.03436	0.6
71.01382	0.4
71.55559	0.5
83.01369	0.3
83.05009	0.3
95.01376	2.8
97.02930	4.4
107.05039	0.7
108.94312	0.4
121.02958	0.4
123.04529	1.9
125.02454	1.1
135.04472	0.4
137.02403	0.7
149.06085	0.6
150.03226	0.4
151.04008	7.3
153.05573	11.0
167.07184	0.4
181.05052	100.0
182.05371	2.9
183.13905	0.5
196.07388	79.5
197.07730	2.8
211.09737	22.5
211.13260	4.1
212.10149	0.6
214.57140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.52544	0.4
70.45518	1.0
70.45852	1.0
74.25866	0.4
155.10809	0.5
165.12859	0.5
167.14429	1.4
183.13899	12.1
193.12358	3.1
211.13390	100.0
212.13736	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94328	0.3
54.01653	0.2
55.01881	2.1
57.03448	1.8
59.01371	1.1
61.98836	4.1
69.03453	0.7
71.01363	0.6
71.05012	0.6
71.12045	0.4
71.12373	0.5
80.02689	0.7
81.03457	3.4
83.01391	23.8
83.05030	3.6
84.01700	0.4
84.02173	1.2
93.03438	1.1
95.01404	0.3
95.05026	1.4
96.96011	0.7
97.06602	3.6
101.02437	0.4
109.02859	0.3
109.06590	0.6
110.46906	0.3
111.08150	0.6
118.94200	0.8
120.02173	0.6
121.02962	20.1
121.06617	0.3
122.03250	0.4
123.04549	0.3
123.08202	1.6
124.04033	0.7
125.09731	20.9
126.10064	0.5
135.04472	0.6
135.08170	1.6
136.98828	0.4
137.06033	0.5
137.95882	0.3
147.11807	1.2
151.11226	0.4
151.23663	0.3
161.09705	0.3
163.11292	8.6
165.12856	3.5
167.10793	0.5
173.09685	0.5
179.03598	0.5
181.12396	1.2
191.10783	6.6
203.84274	0.3
209.04550	3.8
209.11830	100.0
209.94910	1.7
210.12180	3.1
210.15112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78365	0.5
57.03456	3.5
59.01381	100.0
60.01707	0.6
61.60637	0.5
61.88622	0.5
64.44173	0.6
66.95538	0.5
69.64051	2.5
80.02674	0.9
81.03463	1.2
82.05559	0.5
96.00819	0.6
97.06597	3.6
109.06594	4.7
110.24319	0.5
121.02966	9.8
121.03780	1.0
165.12852	5.2
209.04553	1.8
209.11821	33.1
210.12164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
56.47191	0.7
57.03443	4.9
59.01365	3.5
59.53770	0.7
61.98826	1.7
62.74638	0.9
69.03434	1.5
69.30627	6.7
71.01379	19.0
71.05020	2.4
73.02928	0.9
80.02662	2.0
81.03458	2.1
83.01392	3.7
83.05032	4.1
84.02158	2.5
85.02966	0.9
92.99795	1.5
93.03455	2.2
95.05027	3.5
97.02969	1.2
97.06604	3.8
107.05024	0.9
111.08158	3.3
120.02213	1.1
121.02955	27.4
121.06677	0.8
123.08170	1.8
124.04024	1.5
125.09721	8.0
134.03717	1.6
135.08168	1.9
137.09796	0.7
145.10223	1.5
147.11778	2.1
151.10098	1.4
151.11288	23.5
153.12820	4.3
161.09738	1.0
163.11293	11.2
164.11629	0.8
165.05696	1.0
165.12837	17.8
167.10806	1.6
173.09761	2.9
179.10733	4.7
181.12344	45.3
182.12640	1.5
191.10777	18.1
194.05887	1.0
209.04549	5.2
209.11813	100.0
210.12105	3.9
211.14586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03448	5.8
58.00581	1.1
59.01388	2.5
61.98816	0.8
65.94443	0.4
69.03439	1.5
69.51838	1.5
69.52251	1.9
71.01376	12.0
71.05022	0.7
73.02938	1.7
80.02672	1.8
81.03475	2.6
83.01370	4.8
83.05015	4.3
84.02167	1.3
92.99828	0.7
93.03461	2.2
95.05005	3.2
97.02906	0.6
97.06584	4.6
98.20628	0.9
107.05001	0.7
108.02134	0.7
109.06577	0.7
111.08132	3.3
112.01662	0.5
120.02143	0.8
121.02952	20.5
123.08155	1.3
124.04026	0.8
125.02453	0.9
125.09711	8.5
126.70610	0.4
134.03691	0.9
135.04613	0.5
135.08163	1.5
137.09688	0.9
144.00645	0.8
145.10194	1.6
147.11771	2.4
149.09709	1.1
151.07675	0.6
151.11279	19.8
151.12503	1.0
152.11589	0.6
153.09270	0.5
153.12836	2.5
161.09627	1.0
163.11288	7.5
165.05580	0.6
165.12836	21.7
166.13271	0.7
167.10744	1.6
173.09705	2.4
179.10754	5.4
181.12331	30.2
182.12677	1.0
189.50357	0.5
191.10773	14.9
192.85814	0.5
194.28453	0.5
209.00807	0.7
209.04535	3.0
209.11812	100.0
210.12132	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03443	1.8
59.01366	0.5
64.99245	0.3
69.01107	0.2
69.03440	0.8
69.23257	2.5
69.23663	0.6
71.01377	0.3
71.05006	0.6
74.41117	0.3
76.07294	0.3
79.93314	0.2
80.02647	0.8
81.03461	4.0
83.01384	23.4
83.05017	3.0
84.01695	0.3
84.02145	1.0
85.02921	0.4
85.82640	0.3
93.03423	0.8
95.05019	1.1
96.91816	0.2
97.02932	0.3
97.06588	3.0
99.04511	0.4
106.04213	0.5
109.06575	0.6
111.08148	0.6
120.03144	0.3
121.02955	6.7
123.08161	1.9
124.04022	0.4
125.06084	0.6
125.09716	21.2
126.10016	0.4
134.03690	0.4
135.08159	1.6
136.52888	0.2
147.11813	0.9
151.11256	0.3
163.11282	9.1
165.12852	4.0
167.10759	0.9
181.12320	1.9
191.10780	6.9
209.11812	100.0
210.12140	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	209.1181
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.05648	0.4
59.01365	1.1
61.98830	3.0
70.78179	0.9
92.99824	0.4
93.03464	0.7
96.96010	0.5
118.94214	0.6
121.02952	15.1
122.03306	0.5
124.03960	0.4
163.11343	0.5
164.18806	0.4
176.90825	0.4
181.12302	0.5
191.10887	0.4
196.40761	0.4
199.81741	0.4
209.04549	2.5
209.11809	100.0
209.15398	6.6
209.94730	0.9
210.12097	3.0
221.77840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74224	0.6
57.03438	3.5
59.01381	8.7
63.90244	0.7
69.03459	20.5
70.60204	1.8
71.01405	0.8
71.05020	3.0
77.24901	0.7
81.61285	0.8
83.05030	3.1
93.03427	1.6
95.05015	1.7
96.96026	3.4
97.06576	1.4
106.52539	0.7
108.05803	1.7
109.06610	2.0
111.08156	4.1
120.10153	0.7
121.02963	11.6
121.10198	1.6
127.07683	1.3
135.08160	1.7
137.09702	0.9
139.07651	1.1
147.11801	2.4
153.09242	5.9
163.11287	3.3
165.09282	3.3
165.12859	20.0
166.13184	1.2
173.09821	0.8
181.12358	22.7
182.12648	0.8
191.10783	26.8
192.11020	0.7
206.76108	0.6
209.04530	1.8
209.08516	2.5
209.11833	100.0
210.12144	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	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01382	0.7
63.33568	0.2
66.01109	0.4
70.55711	0.6
71.01393	0.4
73.22453	0.3
77.03918	0.4
83.05029	0.9
85.02943	0.3
91.01893	1.3
95.01374	0.5
95.05008	0.3
108.02159	0.3
120.02153	3.1
121.02956	100.0
122.03296	2.3
133.02963	0.5
136.01668	1.1
144.03302	0.3
147.48540	0.3
165.05750	0.3
181.04991	0.6
192.79419	0.3
194.05800	0.4
209.04558	15.6
209.11815	7.6
210.04874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0453
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
51.52114	0.3
53.15907	0.3
57.01702	0.3
59.01371	1.0
69.67748	1.5
70.52217	0.3
71.01410	0.3
75.97129	0.3
83.05027	0.5
85.02944	0.5
91.01903	1.7
92.48462	0.3
93.03458	0.5
98.20558	0.4
101.04208	0.3
120.02158	3.4
121.02951	100.0
122.03288	1.8
136.01662	1.5
161.02402	0.5
163.11313	0.5
165.12822	0.3
176.04742	0.4
179.03490	1.0
181.05002	0.3
190.06693	0.3
194.05836	1.3
209.04536	16.0
209.08072	0.5
209.11800	7.5
210.04887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1026
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.01885	0.9
57.03442	1.4
59.01381	68.4
60.01704	0.8
60.86283	0.7
61.98819	3.4
65.00279	0.9
67.01857	1.0
69.03471	1.5
69.35873	4.3
69.36285	1.6
71.01381	3.9
75.00871	3.5
78.91905	0.9
80.02681	5.4
80.54498	0.7
81.03454	9.0
83.01374	1.0
83.05035	7.2
85.02937	4.0
85.41826	0.7
91.01914	4.5
91.83366	0.7
92.99826	1.3
93.03459	2.7
95.05045	1.6
97.02964	8.1
99.00902	1.7
101.02453	1.9
105.51358	0.8
106.04251	1.9
107.05038	2.4
109.06593	100.0
110.03715	1.8
110.06918	2.2
119.01389	1.6
121.02966	1.5
121.06620	6.2
123.04490	1.8
129.01941	12.2
135.00812	1.8
135.04547	0.8
135.08165	10.8
136.05293	2.4
137.09712	1.1
141.98537	0.8
142.02689	2.8
145.10231	1.2
147.00952	0.8
147.02994	5.9
149.02452	3.1
150.34451	0.7
161.09732	5.6
163.00406	2.8
163.06110	1.0
163.11293	41.5
164.11592	1.4
165.09160	1.9
174.50354	0.8
177.01936	13.0
178.99879	2.8
179.10806	2.3
181.73599	0.8
189.09230	1.9
192.04300	14.0
193.04713	1.1
206.99329	2.8
207.01207	1.6
207.03004	2.7
207.06670	6.1
207.10266	65.7
207.13872	3.2
208.10600	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02972	35.9
59.03303	0.6
69.28499	5.4
69.52963	0.7
70.02970	11.1
72.00913	5.4
83.75929	0.6
84.40620	0.6
85.46839	0.6
90.09871	0.7
91.05534	13.8
92.05852	0.7
98.19908	1.1
103.05545	2.1
128.43515	0.7
147.04515	39.8
148.04831	1.0
155.43652	0.6
162.09216	1.2
164.07150	100.0
165.07426	2.4
206.08197	45.0
207.08492	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	32.0
59.01377	1.1
66.91270	0.5
69.28491	3.6
69.28915	2.1
70.02977	12.8
72.00901	4.3
73.73602	0.6
82.64895	0.8
89.33944	0.5
91.05528	14.0
91.06061	1.2
95.74441	0.6
103.05530	2.2
122.18402	0.7
137.00928	0.6
147.04514	38.7
148.04855	1.3
162.09137	1.0
164.07152	100.0
165.07489	3.4
168.91222	0.6
184.58194	0.6
206.08205	48.2
207.08604	1.5
213.15724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28711	2.4
54.46232	2.3
55.01872	8.8
57.03440	6.9
59.01376	70.3
60.99284	2.6
62.19962	2.1
67.01881	4.8
68.99816	10.3
69.75057	3.6
69.75455	7.4
71.01380	87.5
72.99309	49.4
73.02950	9.5
75.00877	34.5
83.01390	13.5
85.02952	8.9
87.00876	44.8
89.02455	6.9
96.99327	7.3
99.00880	40.4
99.04500	2.6
100.98824	3.1
101.02441	13.3
103.00372	5.5
111.00869	30.2
112.98827	14.9
115.00370	100.0
117.01934	17.1
124.98802	14.8
125.02421	6.7
127.00369	8.9
129.01930	22.5
133.01479	3.9
142.99847	24.8
145.01434	21.1
154.99869	17.8
157.01395	2.8
165.60182	2.7
173.00894	5.8
175.02483	9.7
194.23116	2.7
205.03520	8.6
219.78555	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03804	3.6
51.40150	2.9
55.01865	14.1
57.03444	24.8
59.01379	41.3
60.99304	6.7
67.01889	13.3
68.99815	6.5
70.88441	7.6
71.01382	90.6
72.99310	100.0
73.02928	16.8
75.00877	69.4
83.01385	39.7
85.02959	30.2
87.00870	26.5
89.02457	18.0
99.00879	37.9
100.98794	11.2
101.02430	15.3
111.00882	47.2
112.98858	15.9
115.00373	57.3
117.01900	3.9
129.01945	52.8
133.01434	20.2
139.34010	3.0
142.99863	19.9
145.01434	7.8
173.00914	8.3
175.02608	4.1
205.15994	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	205.1595
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.43695	0.1
59.01364	1.0
71.01389	0.2
71.56252	0.3
78.35780	0.1
85.02925	0.2
90.74728	0.2
117.03458	0.2
161.02423	0.3
161.06067	0.2
162.89253	0.2
189.12788	1.7
190.02530	0.2
205.01471	0.3
205.15956	100.0
206.14328	0.2
206.16293	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	201.1495
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
56.35910	0.3
57.03439	1.1
59.01376	23.9
69.03451	0.3
70.15188	1.2
85.02941	0.3
97.06593	2.1
98.19920	0.5
99.92574	0.7
117.01913	0.3
117.03500	0.3
118.94189	0.4
123.08176	0.7
125.02400	0.3
125.09717	14.4
125.75937	0.3
126.10014	0.4
127.11260	0.7
130.13234	0.3
137.32228	0.3
139.11264	0.9
141.93597	0.6
143.13368	0.3
150.86086	0.4
155.14418	5.6
157.03572	0.8
159.01497	0.8
159.02776	0.4
163.83929	0.5
164.83540	2.1
165.83730	0.4
166.83284	1.1
171.10139	0.4
172.06546	0.4
173.06111	0.8
181.98552	0.4
183.10226	0.5
183.13887	1.2
199.13419	0.9
200.94621	0.3
201.02568	3.5
201.05415	1.5
201.11363	7.3
201.14946	100.0
201.80153	1.5
202.02814	0.3
202.15266	3.3
208.36133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.1
60.01712	5.2
61.01804	1.3
61.98829	100.0
62.02146	0.2
62.98527	0.1
66.80919	0.1
69.29655	0.7
71.01389	0.1
92.24612	0.1
98.19839	0.1
135.18452	0.1
139.52126	0.1
143.86516	0.6
159.03453	0.1
160.03703	0.6
161.01213	0.2
161.87570	0.3
162.01665	0.3
175.99556	0.1
203.98210	0.2
204.00029	1.1
204.02773	2.6
204.06683	0.1
205.03046	0.2
205.16016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.35271	0.6
57.03449	5.4
59.01380	17.8
61.78370	0.6
62.13085	0.5
69.03462	1.1
69.44028	0.6
69.81657	1.0
69.82063	1.9
71.05028	0.9
73.26628	0.5
83.05029	0.6
98.20679	0.7
102.63099	0.6
109.22305	0.5
111.08157	3.6
113.48316	0.6
123.08218	0.7
125.09747	1.8
137.09723	2.4
139.11295	90.0
140.11639	2.2
157.03580	0.8
157.12326	1.3
178.56718	0.5
183.10258	44.3
184.10645	0.9
201.02582	2.1
201.11320	100.0
202.11700	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.39244	0.3
52.74241	0.3
54.43278	0.3
55.56381	0.3
57.03439	0.9
58.00602	1.9
59.01379	1.7
69.03459	0.3
69.17849	3.3
71.01439	0.4
72.99307	3.8
73.02975	0.6
86.24223	0.3
86.60191	0.3
97.06586	0.4
98.20613	0.6
107.08692	0.6
108.48408	0.3
113.44891	0.3
123.08134	0.5
125.09720	5.6
127.11290	8.1
137.09717	1.6
139.11346	1.7
139.12274	0.4
141.09230	0.4
155.10776	4.5
157.12312	0.6
165.09204	3.6
171.10283	3.1
183.10254	6.7
188.08659	0.3
199.09727	2.9
201.11320	100.0
202.11670	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	201.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01052	0.3
56.50779	0.3
57.03448	3.8
57.40691	0.3
58.70394	0.3
59.01375	3.3
69.03455	0.6
71.01412	0.4
71.05014	0.6
80.02681	0.7
83.05025	0.8
95.05051	1.1
97.06593	12.3
98.20744	0.8
116.37600	0.4
123.08170	6.2
125.09726	100.0
126.10057	2.0
164.83601	1.6
169.08743	3.3
201.01613	0.5
201.05620	0.6
201.11320	11.9
201.14972	1.5
201.80202	0.6
216.72746	0.4
223.36586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	0.7
65.07909	0.2
69.79700	1.4
84.21633	0.3
95.27207	0.2
96.53120	0.3
113.04644	0.3
157.03563	6.7
158.03676	0.3
159.01546	1.8
201.02559	18.9
202.02724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
54.42048	0.3
57.03441	0.6
59.01365	1.1
61.98807	0.5
66.84530	0.4
66.92668	0.3
67.01880	0.6
69.03450	0.7
69.07022	0.3
70.10665	1.4
70.11034	0.6
71.01384	0.8
71.05015	3.3
73.02941	1.2
78.21959	0.3
82.02454	0.3
83.01382	1.0
83.05017	1.0
85.02944	1.2
85.69308	0.3
99.00898	2.2
99.08154	1.0
109.02950	0.5
111.00868	1.0
111.04494	0.4
113.02440	2.8
125.02393	0.6
125.06099	0.5
125.09707	1.8
127.00349	0.5
127.03998	1.2
136.98788	0.4
137.09685	1.1
139.04024	0.4
153.12796	0.4
155.10789	4.2
155.14377	3.6
162.83913	8.1
163.83914	0.9
164.83600	5.9
171.10226	0.5
181.08763	0.7
181.12262	0.7
198.80843	0.4
199.06111	0.9
199.09837	3.1
199.13388	100.0
199.80516	6.4
200.13744	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03444	0.6
59.01373	0.4
67.01875	0.2
69.66306	1.3
70.87695	0.2
71.01378	0.4
71.05021	1.5
71.59458	0.2
83.01391	0.4
83.05042	0.4
99.00883	0.5
99.08140	0.3
113.02445	0.8
125.06056	0.3
125.09697	1.6
125.79930	0.2
127.03980	0.4
127.11298	2.8
137.09749	0.3
138.96222	0.2
139.04005	0.2
153.12852	0.9
153.69133	0.2
155.10808	1.7
155.14388	0.5
162.83945	0.9
163.11279	0.5
164.83601	0.8
169.12439	0.2
171.10260	0.5
181.12279	1.1
182.34630	0.2
197.11880	1.7
199.13394	100.0
199.80531	0.8
200.13721	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
51.28010	0.9
54.27428	1.0
56.96700	0.9
57.03442	2.4
57.31152	0.9
58.00586	7.3
59.01374	4.9
61.38065	0.9
67.01913	0.8
67.42385	0.9
69.03439	4.2
70.50830	2.4
70.51182	1.2
71.01390	5.5
71.05004	2.7
72.78948	0.9
72.99286	1.4
73.02943	23.1
83.01373	1.4
83.05023	2.7
84.02146	2.8
85.02969	2.4
93.03464	1.2
95.05031	2.0
97.06563	3.4
99.08107	1.1
101.06078	1.1
109.06594	1.7
111.00877	1.3
113.02462	4.0
123.08162	2.4
125.06086	9.3
125.09715	13.5
126.06514	1.1
127.03993	3.0
127.07646	1.2
127.11300	8.3
135.08148	3.3
137.09720	14.0
140.08800	0.9
141.09222	2.1
143.10774	3.1
146.87445	0.9
151.07634	3.5
153.09181	6.2
155.10768	18.4
156.10202	1.2
163.07620	1.9
171.10245	50.4
181.08693	7.4
199.09738	100.0
199.13393	11.4
199.17039	2.1
200.09999	2.7
203.68410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.54895	0.3
59.01371	0.8
60.86448	0.2
67.18711	0.3
70.56305	0.6
70.56680	0.6
71.05039	0.3
83.01376	0.3
85.42062	0.3
90.62301	0.3
99.00894	0.4
99.57256	0.3
113.02421	0.4
127.04077	0.4
155.10823	0.7
162.83907	0.4
163.11282	1.1
164.83586	0.5
168.21489	0.3
169.12343	5.2
181.12341	19.8
182.12648	0.5
197.11838	2.1
199.13393	100.0
199.80418	0.4
200.13754	3.3
218.35553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.18807	1.0
54.04288	1.0
55.01847	1.7
57.03434	2.9
58.00584	4.8
58.56181	0.9
59.01365	5.0
62.63158	1.0
65.88091	0.9
66.91936	1.0
69.03446	3.4
71.01375	6.7
71.05009	4.7
71.55509	2.0
73.02943	20.5
83.01385	2.5
83.05009	3.8
84.02151	3.3
85.02941	7.3
86.03757	1.7
95.05043	1.5
97.06572	5.5
99.00867	1.8
99.04514	3.0
99.08150	2.6
107.05029	1.4
109.06592	1.7
111.00886	2.2
112.05305	6.8
113.02460	6.4
115.07637	3.7
119.08663	1.3
123.08089	1.9
125.02493	1.4
125.06056	5.1
125.09711	10.3
127.04022	3.1
127.07667	2.5
127.11296	11.3
129.01913	5.8
130.02722	36.4
135.08127	2.1
137.09702	21.3
139.07593	1.9
140.29364	1.1
141.09206	1.2
142.90852	1.0
143.10811	2.6
151.07658	2.7
153.09167	6.1
155.10771	100.0
156.11095	3.0
163.07626	2.1
168.74393	1.1
171.10262	32.2
181.08716	8.4
199.06044	3.2
199.09738	70.9
199.13388	22.8
199.16980	2.3
200.10051	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
56.40277	0.3
57.03440	0.8
58.14582	0.3
59.01381	1.4
67.01875	0.5
69.03461	0.4
69.18151	3.2
71.01376	0.4
71.05018	1.1
73.02949	2.0
83.01368	0.4
83.05025	0.9
85.02946	0.6
85.41122	0.4
92.99793	0.4
99.00871	1.1
99.08150	0.4
99.35310	0.3
108.82153	0.3
109.02969	0.5
111.00899	1.4
111.04580	0.3
113.02449	2.1
119.54925	0.3
125.02467	0.4
125.06097	0.9
125.09689	0.4
127.04015	1.1
135.08188	0.6
137.09718	8.1
139.03958	0.4
150.44925	0.3
155.10776	100.0
156.11116	2.3
157.08687	0.3
169.12340	0.5
171.10274	0.9
181.08714	1.3
199.06136	0.6
199.09743	13.6
199.13376	8.4
199.17053	1.2
199.80467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03437	2.6
58.00594	7.2
58.33500	0.8
59.01378	5.9
59.25513	0.8
67.01868	1.0
69.03473	4.7
70.13010	0.9
71.01373	5.3
71.05013	3.4
71.56138	1.5
72.99300	1.7
73.02943	21.7
81.03447	1.8
83.01392	1.4
83.05026	3.7
84.02142	2.5
85.02956	2.9
95.05003	1.6
97.06576	3.5
99.04552	1.5
101.06083	1.6
109.06555	1.9
111.00861	2.0
111.04504	1.7
113.02434	5.7
113.06054	1.2
118.31764	0.9
119.08614	1.1
123.08170	2.8
125.02383	1.4
125.06072	8.1
125.09723	14.1
127.00390	1.2
127.04069	2.3
127.11294	9.5
133.64221	1.1
135.08150	2.4
137.09715	18.7
141.09206	2.9
143.10754	3.8
151.07594	4.0
153.09137	5.1
155.10770	83.1
156.11133	2.2
156.89548	1.0
163.07603	1.8
171.10252	45.2
172.10600	1.5
173.04449	1.3
181.08740	6.8
188.59128	1.0
199.05949	3.1
199.09738	100.0
199.13387	11.4
199.17015	4.3
200.10095	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.31320	1.7
57.03444	2.8
58.00586	9.1
58.17577	1.3
59.01366	6.1
65.00317	1.4
66.73945	1.5
67.01883	2.8
69.03449	4.4
70.27914	2.9
70.28299	2.5
71.01376	7.6
71.05019	4.4
73.02939	22.4
73.22682	1.4
78.95900	10.3
79.70990	1.2
81.03438	1.7
81.25558	1.3
83.01373	5.9
83.05024	4.4
84.02164	4.5
85.02946	3.8
87.00870	1.7
87.50275	1.5
92.99804	2.4
93.19054	1.5
95.05064	2.1
97.06556	2.6
98.19951	1.6
99.00882	5.6
99.04517	2.8
99.08138	2.2
111.00901	6.3
111.04504	1.6
113.02433	8.6
115.58749	1.3
123.08175	3.1
125.02458	1.8
125.06059	8.7
125.09718	11.2
127.00382	3.2
127.04003	6.2
127.11283	10.0
131.10039	1.3
135.08145	1.8
136.98769	3.3
137.09721	13.8
141.09204	2.8
143.10744	2.5
144.62830	1.4
151.07620	4.5
152.99660	2.0
153.09221	7.8
155.10776	30.0
161.84270	3.3
162.83910	77.9
163.07599	2.1
163.83974	8.8
164.83597	75.5
171.00601	2.3
171.10255	47.7
181.08670	4.8
198.80864	3.4
198.98920	1.9
199.05986	4.0
199.09743	100.0
199.13359	19.0
199.17049	5.7
199.80493	70.7
200.09990	3.7
203.13551	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56801	0.5
56.29695	0.5
57.03416	0.5
59.01383	1.1
61.98833	1.3
68.99561	0.5
69.03459	2.3
69.22678	0.5
69.22993	4.9
71.01379	4.8
71.05025	1.5
83.05035	0.9
95.01405	0.5
97.06580	0.5
103.97698	0.6
109.02976	0.7
112.01671	1.2
123.00897	2.2
123.08137	0.5
125.06092	0.6
125.09702	0.7
126.60734	0.4
126.90495	0.9
151.11383	0.8
153.05630	0.9
153.09238	2.1
153.12854	3.3
160.84215	4.2
161.84242	0.6
162.83910	14.2
166.99838	1.5
169.12334	8.5
179.10783	1.3
182.02232	3.2
197.04539	1.5
197.08241	2.3
197.11826	100.0
197.80823	8.5
198.12193	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.54704	0.4
59.01366	1.2
61.98822	1.3
68.99554	0.5
69.03455	1.6
69.20217	4.2
70.54964	0.4
71.01371	5.4
80.96507	0.4
81.03446	0.4
83.05027	1.2
95.01375	0.7
103.97647	1.2
109.02962	0.5
111.04536	0.5
112.01624	0.7
112.13712	0.4
112.71592	0.4
112.98553	0.7
116.92800	0.6
121.02905	0.9
123.00906	2.3
123.04354	0.4
125.02419	0.5
126.90469	1.3
137.02438	0.5
138.03220	0.7
141.09219	0.7
151.11307	0.7
153.01932	0.5
153.05582	1.0
153.09187	3.2
153.12849	3.5
154.12311	0.5
160.84196	5.5
161.84250	0.6
162.83900	16.5
166.99825	1.4
167.10834	0.4
169.12325	15.0
170.12695	0.6
179.10768	1.6
182.02185	3.3
196.91002	0.4
197.04596	1.8
197.11810	100.0
197.80777	11.5
198.12154	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1545
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03428	1.8
60.07174	0.4
69.03464	0.9
70.05793	2.0
71.05023	1.4
80.02667	1.2
81.03471	1.9
83.05023	9.0
93.83311	0.5
95.05024	4.4
97.06584	21.3
98.48253	0.6
109.06596	2.4
111.08157	18.3
111.22001	0.5
118.98667	0.4
134.85320	0.4
137.09711	0.8
147.11818	2.3
149.09700	1.3
160.84222	1.2
162.83896	4.3
163.11281	6.4
165.12837	100.0
166.13155	2.6
197.15498	1.4
197.80809	2.1
201.77953	0.5
209.11824	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03440	1.2
57.97088	0.8
58.31813	0.7
58.66563	0.7
59.01367	1.9
61.98818	2.3
63.85221	0.9
69.03451	1.6
70.24294	1.9
71.01373	9.2
71.05018	3.0
79.87267	0.9
90.69939	0.9
95.01385	1.4
95.04962	1.3
97.06586	14.7
99.08130	3.2
103.97649	1.1
109.02943	1.6
111.04482	1.0
121.02982	1.3
122.03730	2.4
123.00887	5.0
125.02432	1.5
125.09689	1.8
126.03204	1.3
126.90496	3.4
137.09737	2.1
151.11308	1.4
153.01871	1.1
153.05563	3.2
153.09337	4.3
153.12840	100.0
154.13187	2.4
155.10768	1.5
160.84186	2.8
162.83910	10.2
166.99854	3.5
169.12344	9.8
179.10762	26.6
182.02187	9.2
197.04530	3.4
197.08130	2.3
197.11813	93.3
197.80823	6.0
198.12209	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49810	0.2
59.01373	0.7
61.98825	0.6
68.99556	0.3
69.03463	1.5
69.52279	1.2
71.01385	1.6
71.77863	0.1
81.03462	0.3
83.05034	1.0
85.06626	0.2
88.31293	0.2
95.01379	0.2
96.96010	0.2
97.06604	0.5
99.08141	0.3
103.97660	0.8
109.02997	0.3
111.12905	0.2
112.98595	0.5
116.92846	0.5
121.02984	0.2
123.00867	0.9
123.08156	0.5
125.09774	0.4
126.90501	0.5
135.08171	0.2
135.11823	0.3
140.71672	0.2
141.09221	0.7
151.11269	0.6
153.05602	0.3
153.09203	1.7
153.12863	3.4
153.55196	0.2
160.84215	5.9
161.84270	0.8
162.83919	16.5
165.12872	0.7
166.99858	0.5
169.12347	15.3
170.12675	0.4
179.10782	1.5
182.02255	1.2
196.81189	0.4
197.11833	100.0
197.80798	10.2
198.12148	2.8
218.85280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01866	0.4
57.03443	0.8
59.01374	0.4
61.60195	0.1
61.98833	0.2
69.03464	1.6
71.01373	2.3
71.05021	3.1
71.56110	0.2
73.02946	0.2
81.03445	0.3
83.05019	0.6
95.01384	0.3
95.05016	0.1
96.62603	0.1
97.02950	0.2
97.06579	0.5
109.02963	0.3
109.06590	0.2
111.04507	0.4
116.92859	0.2
121.02946	0.4
123.00893	1.3
123.08173	0.3
125.06114	0.2
125.09717	1.8
125.83543	0.2
126.90507	0.6
137.02402	0.3
137.09747	0.3
138.03218	0.5
141.09215	0.2
151.11284	0.6
153.01862	0.2
153.05545	0.7
153.09236	1.1
153.12851	3.3
160.84178	0.3
162.83917	0.5
166.99850	0.8
169.12325	0.8
178.99896	0.2
179.10747	1.7
182.02196	2.3
197.11816	100.0
197.80746	0.4
198.12161	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01380	2.0
69.03451	1.6
70.88439	0.6
71.01392	3.4
73.86212	0.3
74.58192	0.2
80.96519	0.4
80.97992	0.3
81.03455	0.3
83.05028	1.2
94.66825	0.3
95.01403	0.5
97.06625	0.4
111.04527	0.4
121.02985	0.3
123.00900	1.4
123.08155	0.6
125.09721	0.5
126.90491	0.7
135.08130	0.4
138.03181	0.4
141.09200	0.8
151.11235	0.6
153.05573	1.2
153.09235	4.6
153.12865	3.3
155.56361	0.2
160.47169	0.3
162.83821	0.4
166.99876	1.6
167.10487	0.3
169.12349	15.8
170.12732	0.5
178.99893	0.8
179.10808	1.7
182.02231	3.0
197.04582	1.1
197.11830	100.0
198.12173	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.59949	0.3
59.01382	18.1
61.98833	0.5
68.99567	0.7
70.08572	0.3
70.59686	0.4
70.60029	0.9
71.01398	0.5
73.02951	0.5
81.03461	0.4
83.05057	0.4
85.02908	0.7
92.71864	0.3
96.95998	1.2
96.96593	0.3
103.04034	0.4
112.98579	0.6
121.02927	0.7
135.06624	3.0
150.03308	0.5
152.91762	1.5
160.84219	18.5
167.90431	0.6
177.12862	2.9
180.04263	0.8
194.92772	1.1
195.13899	100.0
195.81099	8.3
196.14255	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	197.0201
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
53.70544	0.3
59.01366	0.6
61.98814	1.0
63.02386	0.4
63.03934	0.3
64.01926	0.9
65.03950	1.7
66.03484	0.3
67.86748	0.3
70.93414	0.6
70.93733	0.4
71.01379	2.9
81.03442	0.6
88.01928	0.4
93.03446	0.7
95.01380	0.6
95.05045	0.4
103.97647	0.8
109.02946	10.4
110.02415	0.3
112.98582	0.5
116.92860	0.6
121.02917	1.2
122.02441	1.0
123.00867	1.4
125.02438	0.4
126.90412	0.7
137.02432	18.9
138.01933	1.4
138.03082	0.4
140.03551	2.6
150.01959	2.8
153.05544	0.8
153.09175	1.2
153.12929	0.4
160.84192	9.4
161.84251	1.0
162.83899	24.0
166.01476	0.5
166.99864	1.3
167.02217	8.7
169.12332	0.8
172.80188	0.3
180.01750	13.1
182.02150	2.8
187.42374	0.3
197.02014	100.0
197.11816	7.3
197.14603	0.5
197.80772	15.3
198.02397	2.1
199.01183	0.6
212.00728	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01364	1.5
59.38225	0.7
60.05284	0.6
61.98832	1.0
65.07256	0.6
70.41045	2.2
71.01360	4.6
71.05015	0.9
95.72593	0.6
96.95972	0.7
97.06578	12.4
99.08146	3.8
101.02462	0.9
109.06596	0.7
116.92857	1.4
122.03669	1.7
123.00909	1.7
125.09756	1.0
126.90469	1.6
137.02460	0.7
137.09680	1.7
138.03278	0.9
144.35127	0.7
151.11325	2.0
153.05623	1.4
153.12846	100.0
154.13173	2.0
160.84201	18.7
161.84236	1.4
162.83908	46.4
166.99806	1.3
169.12334	1.4
179.07207	0.7
179.09184	1.1
179.10771	23.3
180.11179	0.8
182.02202	3.4
196.98413	0.8
197.01990	2.4
197.04558	2.5
197.08075	1.2
197.11818	22.3
197.80789	31.8
200.18933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01376	0.5
60.87363	0.1
69.03458	1.5
69.64656	0.7
71.01391	0.7
81.03464	0.2
83.05022	0.9
84.31738	0.1
95.05025	0.3
97.06585	0.4
109.06586	0.2
110.17102	0.1
117.17275	0.1
123.00905	0.1
123.08161	0.3
125.09723	0.4
126.90483	0.2
130.65369	0.1
135.11769	0.2
137.09666	0.2
141.09219	0.7
144.99165	0.1
151.11273	0.8
153.09221	1.4
153.12848	3.4
155.05685	0.1
160.84215	1.8
162.83913	4.4
165.12799	0.5
166.99902	0.2
167.10698	0.3
169.12326	16.9
170.12668	0.6
179.10730	1.7
182.02200	0.6
197.11812	100.0
197.80765	2.5
198.12138	3.1
214.39821	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01376	17.7
61.98833	1.1
68.99560	2.2
70.65868	0.8
71.01383	0.5
83.66028	0.3
85.02935	0.9
96.95999	3.0
101.00228	0.9
104.76793	0.3
109.06583	3.5
111.08157	3.2
112.98566	1.9
121.02939	0.6
125.09746	0.7
135.06636	2.9
138.06816	0.5
150.03247	0.7
151.11266	0.4
152.91756	3.2
152.94496	0.4
158.84720	0.8
160.84204	31.5
165.01924	0.4
167.14398	5.8
167.90460	1.1
179.10750	3.5
180.04291	1.2
180.11288	0.4
194.92799	1.8
194.95518	0.5
195.06647	1.3
195.13884	100.0
195.81079	15.2
196.14203	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	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
56.02362	0.2
57.03429	1.2
59.01379	2.0
67.01881	0.7
67.27083	0.3
69.03456	0.5
71.01381	1.7
71.20783	0.4
73.02940	0.5
83.05017	0.4
84.96545	0.3
85.02946	14.0
87.00871	4.9
87.20264	0.2
91.08302	0.3
93.03455	3.9
93.16853	0.2
99.04523	0.5
101.02473	0.3
109.02962	1.3
111.00883	6.7
111.04509	1.1
127.04013	2.7
129.01956	1.4
155.03554	0.4
171.03006	0.8
173.04509	1.4
174.46036	0.3
191.05600	100.0
192.05965	1.5
206.77805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03445	0.7
59.01377	10.2
61.66022	0.2
69.21259	2.0
69.36466	0.2
71.01369	1.5
72.99310	0.4
73.02950	1.2
85.02948	6.3
87.00877	4.6
89.02440	0.5
93.03459	1.1
101.02457	0.5
104.02660	0.3
109.02973	0.3
111.00885	5.8
111.04494	0.3
113.02425	0.5
117.98560	0.2
119.01387	0.3
119.05026	1.3
121.02954	100.0
122.03288	1.8
127.03991	0.3
129.01947	0.8
131.03499	0.9
147.04520	6.6
148.01677	0.3
150.08693	0.3
163.04021	0.9
173.00919	0.4
176.01155	2.2
191.01953	1.3
191.03528	10.7
191.05620	14.7
191.10774	0.6
192.06108	0.3
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	Quinic acid
Peak:m/z	Relative Intensity
55.01870	0.2
57.03453	0.8
58.00591	0.2
59.01377	3.0
59.19682	0.2
60.99302	0.3
61.26452	0.1
62.70171	0.2
67.01875	1.0
68.95073	0.2
69.03448	0.6
71.01379	1.8
71.04987	0.2
71.20633	0.3
73.02937	0.8
81.03452	0.5
83.01384	0.2
83.05038	0.9
85.02946	20.8
86.03289	0.3
87.00329	0.4
87.00871	7.7
93.03452	6.3
93.05134	0.1
99.00887	0.5
99.04533	1.0
101.02428	0.3
108.02217	0.2
109.02956	1.6
111.00880	6.0
111.04507	2.4
113.02457	0.2
116.83671	0.2
125.02444	0.2
127.04003	4.0
129.01950	0.3
137.02425	0.4
153.01987	0.2
155.03508	0.4
171.02971	1.1
173.04543	2.0
191.05598	100.0
192.05939	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23469	0.4
54.81266	0.4
55.01847	0.5
57.03452	7.8
57.03719	0.8
57.94409	0.4
59.01386	4.5
60.99716	0.4
67.01899	4.1
69.03468	0.6
70.44211	1.2
70.54920	0.4
71.01382	4.4
72.99299	0.4
73.02951	1.2
81.03463	0.6
83.01383	0.7
83.05045	0.6
85.02954	45.3
86.03275	0.5
87.00880	49.7
93.03458	5.6
95.01366	0.5
97.11436	0.4
99.00883	1.4
99.04521	1.0
101.02464	1.1
109.02969	1.5
111.00885	100.0
111.04527	1.6
112.01229	1.7
112.98834	0.9
127.04037	3.3
128.17081	0.4
129.01956	9.3
130.99858	0.9
147.02849	0.4
149.46057	0.4
154.99915	0.6
171.02982	1.2
173.00902	2.2
173.04535	1.7
191.02014	14.6
191.05614	91.5
192.05971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.0
59.01369	3.6
59.19058	0.5
61.11082	0.5
66.11072	0.4
67.01896	4.0
69.03456	0.7
70.92959	1.5
71.01370	2.0
71.27965	0.5
72.79763	0.5
74.02859	0.5
81.03419	0.6
83.01376	0.7
83.05065	0.7
85.02950	43.7
87.00877	47.5
89.82033	0.5
93.03454	4.7
99.00869	1.1
101.02456	1.4
109.02972	0.8
111.00882	100.0
111.04512	1.3
112.01239	1.3
127.03976	3.0
129.01956	6.9
130.99834	1.6
147.91927	0.5
154.99834	0.6
166.77762	0.5
171.03036	1.0
173.00887	1.9
173.04579	1.7
191.02002	14.5
191.05609	83.5
192.05986	1.7
211.58890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.78159	0.7
55.91714	0.7
57.03443	2.9
57.51283	0.9
59.01377	79.8
70.72492	1.7
97.06583	10.7
99.07678	0.7
99.08161	24.7
123.08125	5.5
125.09720	84.5
126.10062	3.0
127.07652	10.4
143.10786	1.4
145.08705	100.0
146.09003	1.5
155.00711	0.9
169.08704	2.8
178.21442	1.0
184.15477	0.8
187.09769	42.2
188.09917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
50.93808	0.4
59.01376	84.9
60.01731	0.6
61.16621	0.5
68.57626	0.6
69.23698	4.5
69.24041	0.8
84.66693	0.5
89.64437	0.4
99.08152	26.1
109.11744	0.4
116.51208	0.4
125.09756	1.0
125.73059	0.4
127.06704	0.7
127.07650	12.8
138.17746	0.4
145.08707	100.0
146.09032	2.4
149.04352	0.4
160.42557	0.5
187.09787	1.3
195.26801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01377	0.4
61.98831	1.0
65.99826	0.1
69.49302	0.9
75.18951	0.2
83.04981	0.2
87.92538	0.2
102.03495	0.5
106.96196	0.2
116.05065	0.3
127.07642	0.6
129.05576	1.0
141.86815	4.4
144.04553	100.0
145.04898	2.6
148.72247	0.2
159.03291	1.2
159.87894	0.8
187.86122	0.5
188.03517	4.4
189.03838	0.2
189.07712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.056
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
57.03437	0.3
59.01364	0.5
61.45407	0.2
63.01746	0.1
63.11294	0.1
69.25096	0.4
69.25500	1.1
71.01357	0.2
77.72927	0.2
82.06636	0.2
83.05013	0.2
83.68208	0.1
85.06586	0.4
86.06935	0.3
97.06586	0.2
113.02458	0.2
114.02801	0.2
114.09269	0.7
116.05067	1.7
125.09743	0.7
140.05064	0.4
142.06615	100.0
143.06958	2.7
145.08633	0.2
158.06046	0.3
184.96396	0.2
186.01924	0.2
186.05605	2.4
186.12219	0.2
187.04030	0.2
187.06029	0.3
187.07597	0.2
187.09785	0.3
193.14726	0.2
194.71210	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76059	0.3
59.01381	1.1
64.42530	0.4
69.03457	0.4
69.33634	0.3
69.33971	3.0
87.00872	100.0
88.01203	1.0
97.06584	3.9
98.20653	0.7
110.98548	0.5
115.00387	0.4
123.08138	0.5
132.79401	0.4
135.27930	0.4
137.38591	0.4
141.09210	2.3
167.07133	1.4
173.04567	0.5
184.90320	0.3
185.08134	2.9
185.11838	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	182.0459
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
50.18841	0.2
57.03427	0.3
59.01387	1.9
60.01712	0.8
62.92658	0.2
69.03463	0.4
71.01376	1.9
72.01720	1.6
73.02941	0.4
74.03323	0.4
82.02972	0.3
83.05037	0.3
84.01721	0.3
85.02941	0.4
86.00513	0.2
86.03284	0.2
89.02445	1.1
90.02790	0.8
92.05065	4.1
94.02987	0.9
95.03704	0.3
98.20639	0.6
101.02444	0.8
102.02770	1.7
108.04559	48.7
109.04874	0.8
110.02524	0.2
110.06107	0.6
114.02814	0.3
120.03784	0.4
120.04560	4.8
122.02469	1.1
123.03278	1.0
136.04053	1.0
138.05612	100.0
139.05977	1.8
152.03577	1.0
164.06490	0.4
166.99849	0.2
167.03094	0.5
169.40213	0.2
182.04585	27.6
182.07486	2.1
183.04973	0.4
183.07631	0.3
184.38919	0.2
191.69737	0.2
195.83611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.97144	0.2
69.28188	0.2
70.33453	0.8
123.88851	0.3
144.36015	0.3
183.13896	100.0
184.14264	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	179.0561
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
53.08099	1.0
55.01870	1.4
57.03431	1.7
58.00588	1.8
59.01377	51.6
68.99777	1.2
69.03458	3.8
70.02428	4.2
71.01376	38.6
71.04998	1.3
72.99307	9.2
73.02943	11.7
75.00871	59.0
81.03455	3.5
83.01395	4.9
85.02946	18.4
87.00874	77.2
89.02437	17.6
95.01373	2.8
97.02946	6.6
99.00872	18.4
99.04533	1.7
101.02444	9.8
105.01858	1.1
108.48328	1.3
113.02426	5.1
117.01940	11.6
125.02440	9.5
129.01955	1.8
136.79402	1.0
141.01959	7.4
143.03464	3.6
144.25542	1.3
159.03038	5.5
161.04547	48.3
162.04926	1.5
177.04092	3.2
179.05603	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	179.0561
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
55.01873	2.1
57.03448	2.4
59.01376	22.0
64.22677	0.9
66.61771	1.0
69.03452	4.3
70.02400	5.2
70.02728	1.0
71.01379	27.5
72.99306	2.3
73.02943	10.3
75.00877	6.8
79.01878	1.1
81.03440	2.4
83.01384	4.4
85.02946	24.1
87.00874	100.0
89.02448	11.2
95.01394	3.5
97.02942	9.8
98.19984	1.4
99.00881	24.9
101.02438	11.2
105.01945	1.9
107.01395	1.2
111.75910	1.1
113.02467	5.3
117.01943	18.5
120.30988	0.9
125.02447	14.0
129.01927	2.1
131.03519	1.0
132.86937	1.0
141.01927	9.5
159.02989	6.9
161.04549	61.8
177.04070	3.6
179.05598	91.2
197.55331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0976
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
53.78421	0.6
58.12689	0.6
59.01385	5.5
60.27158	0.5
62.59671	0.6
66.47849	0.6
68.99841	0.7
69.03477	1.3
70.12170	2.6
71.01378	3.6
71.24018	0.6
73.02924	0.9
82.51785	0.5
85.02951	19.1
85.06582	18.4
87.00867	4.1
93.03429	0.8
95.05042	0.8
98.19926	0.8
100.98833	0.7
101.06085	16.4
113.02473	0.9
113.06091	42.8
114.06351	0.7
115.00365	3.3
115.03960	1.0
124.98837	0.7
127.86487	0.6
129.05583	36.7
129.09212	4.7
131.03459	0.8
131.07138	25.4
132.98238	0.6
172.45021	0.7
174.88954	3.6
175.02634	1.1
175.03955	1.4
175.09750	100.0
176.10109	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24907	0.2
56.72149	0.2
59.01377	1.9
61.98832	1.3
65.07920	0.2
67.00335	0.2
67.12048	0.2
70.58073	0.2
70.58390	0.4
71.01381	1.3
74.00743	0.2
79.95717	0.3
85.02949	0.4
87.00893	1.7
89.02457	0.5
99.00895	0.5
101.02470	0.4
103.66147	0.2
117.01994	0.3
118.71507	0.2
119.93654	1.0
125.02393	0.2
134.96089	46.6
135.96152	1.3
136.94009	100.0
137.94081	3.6
143.21378	0.2
146.03773	0.2
151.92720	14.1
152.92812	0.4
153.93019	0.2
161.04527	0.9
178.95059	70.8
179.05606	1.6
179.95166	3.3
196.96054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98835	0.9
70.38889	0.5
70.39237	0.4
71.01383	1.0
72.99301	0.3
79.66762	0.3
85.02952	0.3
87.00875	1.5
89.02470	0.5
96.96026	0.3
98.20615	0.3
99.00894	0.6
110.11841	0.3
117.01943	0.4
119.93733	0.8
134.96086	50.2
135.96138	2.1
136.94005	100.0
137.94073	4.1
151.92711	15.0
152.92828	0.8
161.04561	0.9
178.95053	75.3
179.05638	1.6
179.95164	3.1
196.96101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
51.33508	0.5
57.03442	0.6
58.00605	0.5
59.01379	100.0
60.01715	0.7
67.01891	0.7
68.99825	2.6
69.03473	3.0
69.49416	1.2
69.49831	2.5
71.01381	13.5
71.05029	4.1
72.99316	4.1
73.02961	2.1
75.00886	3.4
75.36612	0.6
75.64133	0.5
85.02961	3.6
85.06590	2.3
87.00887	7.5
87.11353	0.5
90.97091	0.5
93.03463	4.9
95.05008	0.8
96.99294	1.3
97.02937	1.3
98.20679	1.3
99.00890	1.2
99.46849	0.6
100.98824	3.6
101.02473	1.6
111.00836	1.0
111.04527	1.2
113.06091	91.0
114.06415	1.2
115.00385	8.6
115.04012	97.1
116.04352	1.3
117.01953	2.0
124.98817	4.6
127.97527	2.7
129.01930	1.3
129.09216	1.5
129.12192	0.6
131.03490	1.3
131.05035	1.6
132.98213	2.5
133.05064	1.4
135.04530	8.8
142.99881	1.6
147.04535	1.9
157.01407	0.9
157.05058	6.4
160.01628	0.8
173.04520	0.9
174.82837	21.1
174.88969	9.9
174.99191	1.0
175.02467	3.2
175.03992	4.0
175.06114	17.5
175.07599	1.5
175.09726	1.5
175.82832	0.6
176.03613	1.4
177.78235	0.5
179.03493	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	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50016	4.9
56.89338	5.3
59.01378	74.0
64.62608	6.0
68.99815	12.3
70.02566	14.2
70.02958	9.9
71.01382	35.9
72.99315	7.4
75.00865	10.8
85.47308	6.7
87.00883	15.1
100.98801	89.2
102.16154	6.0
113.06077	8.7
113.84640	5.4
115.00371	36.1
115.04015	11.2
117.01961	8.6
124.98779	15.4
127.97520	100.0
130.99806	7.6
142.99825	23.1
148.98576	18.8
174.82813	6.5
174.96437	7.7
175.02464	15.5
177.22200	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	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.4
55.01875	6.5
56.22298	1.0
57.03438	4.2
58.02971	1.8
59.01378	8.4
60.99307	1.7
65.91084	1.0
67.01885	8.5
68.99822	6.1
69.03462	2.2
69.65163	6.3
70.56133	1.0
71.01382	100.0
72.99306	4.6
73.02942	8.6
75.00903	1.1
80.99802	1.0
81.03461	1.5
83.01395	10.8
83.05009	2.3
85.02953	27.9
87.00894	6.1
93.03462	34.6
93.45264	0.9
96.99305	4.4
98.20628	1.9
99.00887	34.5
99.04529	1.1
101.02434	1.9
101.08018	1.5
111.00161	1.4
111.00888	18.1
111.04530	10.1
112.98811	31.6
115.00385	4.8
124.98808	27.5
127.03970	1.3
128.07176	1.7
129.01956	10.1
131.08276	1.3
134.38388	0.9
137.02454	2.8
140.98289	1.6
142.99863	79.3
144.00189	1.7
155.03488	4.3
173.00926	15.4
173.04539	39.9
174.07726	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	173.0817
Annotation	1,4-Diacetoxybutane
Peak:m/z	Relative Intensity
57.03446	6.0
59.01376	41.2
60.01717	0.5
60.99296	1.7
67.01890	11.0
69.03456	3.1
71.01379	5.1
71.56081	0.7
72.99313	0.9
73.02946	1.3
81.03451	1.7
83.05024	13.0
85.02950	2.3
85.06587	9.9
87.00881	0.5
93.03453	47.2
94.03787	1.0
97.02956	0.9
99.00873	1.4
99.04509	0.7
101.02441	0.7
103.59237	0.4
105.18813	0.5
108.11626	0.5
109.02975	0.6
109.06597	3.3
111.00863	2.4
111.04528	6.3
111.08154	100.0
112.08475	2.7
112.98830	0.6
113.02444	0.6
113.06079	9.5
115.00345	0.5
115.03984	0.7
125.02464	1.0
127.03970	0.7
129.01956	0.5
129.09224	6.1
131.07137	41.5
132.07474	1.0
137.02489	0.6
145.01433	0.6
154.99873	0.7
155.03554	0.7
155.07225	0.6
173.02342	0.8
173.04552	26.1
173.08174	43.8
174.04878	0.7
174.08549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.6
55.01885	6.1
57.03448	3.2
59.01382	5.9
67.01885	3.8
68.99818	2.9
71.01382	100.0
71.30562	0.8
71.30904	1.3
72.99315	3.0
73.02946	7.3
79.06470	0.7
79.33941	0.8
80.99838	1.7
83.01390	10.2
85.02968	4.6
87.00861	4.4
93.03457	10.5
96.99336	4.1
99.00880	33.3
99.04479	1.0
101.02473	0.9
111.00877	15.7
111.01570	1.3
111.04540	3.0
112.98814	32.5
113.99133	0.9
115.00349	4.4
124.98811	29.1
129.01974	2.6
134.11513	0.7
136.83598	0.8
140.98274	2.5
142.99864	68.5
150.71770	0.8
155.03546	0.8
155.07645	0.8
160.58580	0.8
173.00937	15.5
173.04498	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	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00298	3.1
54.75237	0.8
55.01881	5.6
57.03446	4.7
59.01379	8.5
67.01887	6.5
68.99816	5.1
69.92365	2.9
69.92757	1.4
71.01381	100.0
72.99318	6.0
73.02953	8.2
80.99815	1.6
83.01382	10.9
83.05017	1.9
85.02950	4.7
85.06593	2.9
87.00903	4.5
93.03461	19.8
96.99303	5.8
98.20601	1.4
99.00878	36.5
99.01540	1.7
101.02376	1.5
111.00877	17.1
111.04522	10.5
112.98811	33.2
112.99614	1.8
115.00356	4.7
121.12224	1.0
124.98810	29.6
126.04464	0.9
128.07190	1.5
129.01923	3.2
129.05562	3.2
132.96054	0.9
140.98289	2.2
142.99864	72.7
154.94708	1.1
155.03494	2.8
155.75313	1.0
173.00934	16.9
173.04550	16.8
173.08159	1.5
174.07750	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	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
62.52278	0.4
69.19546	3.6
69.19942	0.9
75.75374	0.4
76.04639	0.4
99.08153	0.7
125.09721	3.0
127.07681	0.6
127.11282	5.7
132.43631	0.5
153.09187	1.3
171.10258	100.0
172.10585	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	168.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54884	0.3
58.02973	100.0
59.03331	0.7
61.98822	2.7
68.99825	0.6
69.03449	0.4
70.02973	0.4
70.12036	1.2
81.03438	0.5
82.95422	3.6
87.00882	0.8
96.99325	0.4
97.02974	0.5
102.08711	0.3
108.04617	0.3
116.13007	0.3
124.04057	0.4
125.02449	4.1
125.06044	0.4
125.09692	0.5
128.20276	0.3
132.86809	1.7
134.54836	0.3
151.00366	0.3
151.11284	0.3
153.00563	0.4
167.83627	0.3
168.06636	0.6
168.13911	11.4
168.83597	0.9
168.98869	0.3
169.01425	1.5
169.14244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0667
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
55.01850	1.5
59.01368	1.9
59.23347	1.0
61.98816	1.8
65.00323	1.1
66.03479	2.5
68.01404	1.4
68.99818	1.7
69.03458	25.6
71.01381	3.0
71.13993	1.6
71.14317	1.3
73.02938	1.0
74.57469	0.9
78.95917	3.2
82.03001	5.5
82.95411	2.5
83.05009	2.1
85.09066	1.0
92.05048	1.4
94.02978	2.7
94.06646	1.1
95.01395	1.1
96.01706	2.5
96.04555	100.0
97.02947	3.6
97.06620	1.3
102.98029	0.8
106.06657	1.2
107.04986	1.3
108.02243	1.6
108.04551	3.0
109.02489	2.6
110.06098	1.1
122.06127	5.2
122.06853	1.1
123.00906	2.3
124.04039	2.3
124.04850	2.7
124.07684	62.8
125.02519	5.3
125.06133	1.7
125.09749	1.7
125.99642	1.3
126.01917	1.3
126.90390	1.1
140.08011	3.0
150.05521	2.1
153.00595	3.2
153.01683	5.7
168.02846	2.2
168.04068	2.0
168.06647	38.7
168.83629	39.5
169.01392	4.1
169.05002	1.6
169.08661	2.3
173.69284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.64144	1.1
55.01859	1.7
57.03439	3.2
58.44150	1.7
61.29777	1.3
65.00320	2.5
67.01878	4.6
67.05542	1.5
69.00979	1.4
69.03439	8.7
70.68848	3.2
71.01381	4.1
78.95895	3.8
80.02660	5.6
81.03428	2.6
83.05007	6.4
84.02148	8.3
85.02934	6.4
88.12428	1.3
91.01903	1.9
93.03449	3.6
93.07083	4.3
95.01385	16.9
95.05022	8.4
97.02933	9.3
97.06579	9.9
98.03724	5.4
105.07088	5.4
106.04211	2.5
107.05058	2.5
108.02163	28.8
108.05777	1.6
109.02947	2.0
109.06576	18.1
110.03732	15.3
111.00864	3.4
111.04510	2.4
111.08151	59.9
112.01658	30.0
112.08505	2.2
119.05024	1.9
121.02940	4.3
121.06590	24.2
123.00906	11.0
123.04523	29.1
123.08162	15.6
124.01619	43.6
124.05305	3.4
125.06124	3.2
131.05003	3.6
132.86723	2.2
134.03728	3.4
137.02441	5.4
137.06085	6.2
138.03204	2.9
138.06833	2.4
139.04019	2.7
139.07643	100.0
140.07993	2.1
149.02451	3.9
149.06067	56.8
149.41649	1.6
152.01149	47.1
152.04742	1.5
166.83376	1.6
166.99840	1.9
167.02090	17.6
167.03493	20.0
167.07124	61.0
168.07480	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	167.0713
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
65.63402	0.7
67.01881	0.6
67.05519	4.3
67.89598	0.6
69.03459	3.1
69.32584	5.5
71.05009	3.1
79.16052	0.7
80.02674	100.0
81.03017	1.4
81.03452	1.8
91.01882	1.1
93.03522	0.7
93.07110	0.8
95.01368	3.0
95.05013	2.7
105.07085	7.6
108.02168	8.7
109.02973	1.2
111.08167	1.7
121.02948	1.2
123.00891	1.6
123.04526	7.8
123.08160	72.8
124.01620	2.0
124.08466	2.5
125.02437	1.4
126.67371	0.6
137.02472	0.8
139.03973	0.9
139.07620	2.0
149.02437	1.0
152.01138	18.4
166.99843	0.8
167.02095	2.1
167.03497	8.1
167.07152	2.3
175.10423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	Orthoform
Peak:m/z	Relative Intensity
52.41256	0.4
56.65998	0.4
66.03477	1.9
67.01878	0.6
69.03477	0.6
69.61421	2.0
69.61838	1.0
80.05046	3.1
81.03460	0.5
91.01907	1.2
92.05074	0.8
93.03456	0.6
93.99328	0.6
94.03023	0.5
95.01389	2.5
95.05029	0.6
98.19971	0.7
99.72157	0.5
108.02162	5.9
108.04535	1.5
109.02974	0.8
110.02526	0.4
111.00862	0.7
112.34448	0.4
121.02947	1.9
121.05334	2.0
122.02457	1.0
122.03257	6.9
122.06087	1.1
123.00863	3.1
123.04509	5.1
123.08145	0.6
124.01579	2.2
125.02435	0.5
135.04526	1.0
136.05301	17.6
137.02454	1.1
138.05615	1.6
149.02419	0.9
151.00343	2.3
151.99989	1.0
152.01147	13.1
166.05078	100.0
166.99901	0.6
167.02074	2.2
167.03487	6.0
167.05519	3.1
167.07048	1.1
175.52496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.19092	1.1
54.32544	0.9
57.03448	17.6
57.62758	1.1
59.01376	2.3
69.03477	5.1
71.05015	2.7
71.55261	1.3
77.03982	2.7
80.02682	5.9
81.03456	11.7
83.05029	30.9
93.03468	5.0
95.05031	19.4
97.06590	43.4
107.04998	2.2
109.02962	2.0
109.06602	5.9
111.08161	46.6
119.05027	1.5
121.02962	67.2
121.06635	1.4
122.03283	3.5
123.04559	1.8
123.08189	1.9
137.02449	5.9
137.09740	3.1
147.04541	3.4
147.11783	4.0
150.03197	4.0
163.11295	13.8
164.83614	22.2
164.89713	1.5
165.01918	10.4
165.05586	3.7
165.12849	100.0
165.83665	1.2
166.02324	1.1
166.13173	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	L-Arabinonate
Peak:m/z	Relative Intensity
52.09795	0.5
55.01873	2.6
57.03429	1.3
59.01380	9.3
62.53638	0.5
69.59190	0.7
70.70641	2.0
71.01372	5.4
72.69970	0.7
72.99309	6.4
73.02942	1.1
75.00871	100.0
76.01232	1.0
81.98011	0.6
83.01318	0.6
83.33685	0.6
85.02946	1.6
87.00874	31.1
88.01202	0.8
89.02451	4.0
99.00867	4.7
101.02444	2.1
104.86361	0.6
105.01931	25.9
111.00886	1.2
115.46203	0.6
115.61163	0.6
117.01951	2.1
117.74850	0.6
121.02944	4.2
121.99973	5.0
124.85880	0.6
129.01942	12.9
135.02979	1.2
147.02986	8.9
165.04034	66.8
166.01775	0.7
166.04358	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.43151	0.7
71.31422	1.4
72.00906	34.1
75.32410	0.6
84.32592	0.6
91.05546	2.7
93.03427	0.6
103.05521	4.9
117.83073	0.6
119.05003	2.1
120.05367	1.1
121.03024	0.6
133.31761	0.6
146.06059	0.6
147.04515	100.0
148.04846	2.4
164.07159	53.2
165.07483	1.3
167.80200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalate
Peak:m/z	Relative Intensity
51.66571	0.2
53.39958	0.2
55.01874	0.3
57.03448	0.5
59.01381	1.7
62.23507	0.2
64.30356	0.2
65.05318	0.2
70.43968	0.4
71.01377	1.1
72.99303	1.4
73.02951	0.4
73.78532	0.2
75.00874	14.7
77.03968	5.3
85.02934	0.5
87.00879	10.3
88.63650	0.2
89.02454	0.6
93.03463	0.4
99.00868	1.3
101.02432	0.6
103.01984	0.2
105.01939	8.1
108.58177	0.2
111.00886	0.4
117.01942	0.3
119.03467	0.2
121.02961	100.0
122.03287	2.0
129.01945	1.5
135.02966	0.3
137.02458	1.0
147.03006	1.8
147.04079	0.3
164.89594	0.7
165.01939	9.5
165.04059	12.0
166.02289	0.2
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	Tricaine
Peak:m/z	Relative Intensity
59.01373	1.1
70.92570	0.5
70.92889	0.4
71.01368	0.6
72.00904	0.3
74.47789	0.3
76.32835	0.2
77.03947	1.2
80.05059	2.6
85.02950	0.7
86.03281	0.5
92.01436	0.4
92.05037	0.5
93.03462	0.9
101.02427	0.4
102.02782	0.6
108.04561	0.3
108.08163	1.3
109.02931	0.5
114.02708	0.3
115.40791	0.3
119.05037	1.1
120.04547	1.3
120.05361	4.4
121.02953	22.7
121.05342	2.9
121.06644	0.3
124.04020	0.6
132.46753	0.3
135.03271	0.7
135.04489	0.5
136.04051	2.0
136.07675	14.5
137.02477	1.3
137.04848	2.3
137.05891	0.5
137.07974	0.3
147.04512	1.4
149.04805	4.6
150.02020	0.5
150.03204	0.9
152.03531	0.7
153.04294	1.4
163.84010	0.8
164.03456	3.8
164.07159	100.0
164.83595	6.5
164.89700	0.6
165.01892	3.3
165.04218	0.5
165.05482	1.6
165.07512	3.1
165.09007	0.5
181.03799	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01369	1.0
62.86831	0.3
65.19768	0.3
65.99834	0.4
67.63471	0.4
69.59267	2.0
71.01375	0.6
72.00909	38.1
74.84327	0.4
75.00857	0.5
77.03954	1.2
86.03252	0.6
89.02425	0.6
91.05511	1.4
92.05027	0.7
93.03447	0.8
98.19981	0.5
101.02429	0.5
102.02769	0.4
103.05549	3.0
109.02975	0.7
118.06629	0.4
119.05009	2.8
120.04540	1.3
120.05359	5.2
121.02960	25.2
121.06557	0.6
122.03748	0.4
123.04494	0.8
135.04547	0.6
136.04042	1.0
137.02420	0.9
146.06134	0.5
147.04526	100.0
148.04866	3.1
149.01059	0.4
150.03218	0.9
153.94771	0.4
164.00792	0.7
164.07175	53.9
165.01906	4.2
165.04128	0.4
165.05568	1.6
165.07545	1.8
165.08881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
55.52159	1.7
57.03442	2.1
59.01387	13.2
61.98816	3.0
70.28095	5.8
71.01383	7.1
71.81666	1.9
73.02975	1.7
85.02972	8.9
88.42554	1.7
91.01949	1.6
101.02440	14.6
118.99265	4.1
119.05032	64.2
120.05360	2.9
138.38860	1.7
163.00386	8.3
163.03992	7.8
163.06108	21.3
163.11299	100.0
164.11636	2.5
176.37692	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01377	5.8
61.22819	0.4
65.17484	0.4
70.40185	1.3
71.01385	2.3
72.99331	0.6
73.02946	0.7
85.02941	4.2
89.02453	1.3
91.01903	0.8
91.05532	25.8
93.03447	2.5
101.02426	4.9
111.91903	0.4
113.02456	0.8
119.05025	100.0
120.05309	2.3
131.03488	0.5
135.00919	1.0
135.04523	4.1
152.85014	0.4
162.83899	4.6
162.89244	0.6
163.00323	3.9
163.04018	11.7
163.06111	8.3
176.04352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.9136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83733	0.2
57.03437	0.3
59.01380	1.2
59.01641	0.2
61.98829	14.6
65.01456	0.6
65.99836	0.9
66.00970	0.3
70.88237	0.6
71.01379	1.2
72.01682	0.3
72.99323	0.6
73.02953	0.6
82.04106	2.2
85.02941	1.0
86.03293	0.6
89.02475	0.3
91.01885	0.7
93.03491	0.3
95.06137	0.3
98.20509	0.3
99.04515	0.3
99.92577	1.9
101.02434	1.2
102.02814	0.3
105.01906	0.4
114.02751	0.2
115.92073	100.0
116.92075	3.6
116.92863	0.3
118.02987	1.5
118.99257	2.4
119.01483	0.4
119.05022	14.7
120.04456	0.5
120.05676	0.9
121.04090	0.4
121.04228	0.5
121.05200	4.3
125.98297	0.3
132.03873	0.4
134.02480	0.7
135.00880	0.9
136.05121	0.4
147.03090	0.4
161.91357	13.0
162.01935	1.8
162.83937	0.6
162.90298	0.9
162.91507	0.4
163.00357	2.5
163.01518	0.3
163.04012	1.3
163.06140	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	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03450	18.8
58.02975	22.0
59.01377	16.5
60.99294	0.6
61.98802	0.7
68.34607	0.5
69.03450	1.1
70.02981	3.8
71.01385	10.3
71.04995	0.7
72.04537	1.5
72.99303	2.1
73.02947	8.2
74.02475	25.6
75.71419	0.5
81.03473	1.7
83.01398	3.5
84.02147	0.6
84.04545	28.6
85.02951	11.8
86.06123	1.4
87.00877	3.7
88.04040	100.0
89.02456	2.7
95.01349	1.0
97.02905	1.0
98.02464	7.3
98.06109	9.9
99.00893	1.6
99.04520	12.7
101.02443	6.1
112.04056	1.1
113.02430	2.2
114.05610	2.6
115.72253	0.7
116.03545	6.2
118.05111	7.6
128.03542	0.6
130.05104	23.9
131.03479	4.7
142.05101	2.0
143.03464	1.2
151.52660	0.6
151.95531	0.6
154.75299	0.6
156.54538	0.6
160.06151	30.0
161.04552	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	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01875	1.1
57.03444	1.0
58.02977	2.5
59.01381	4.9
60.01708	0.4
68.99806	0.4
69.03448	0.6
71.01398	1.8
71.05017	1.1
71.54240	0.4
73.02954	1.3
75.90572	0.3
76.53041	0.3
83.01372	0.7
85.02946	1.1
85.06602	0.8
86.06125	1.8
87.00867	1.1
94.45715	0.3
96.08196	0.4
97.02957	0.8
97.06593	0.4
99.00877	1.4
99.04515	0.7
101.02450	1.3
111.00881	0.9
112.04031	2.4
112.07681	0.4
113.02525	0.6
114.05635	0.8
114.09252	6.9
115.03993	0.6
116.07172	100.0
117.05572	2.5
117.07493	2.6
129.01938	0.9
158.04651	0.8
158.08214	17.9
158.89308	2.1
159.02963	2.2
159.06635	1.6
159.08609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	CIS-3-HEXENYL METHYL CARBONATE
Peak:m/z	Relative Intensity
51.30446	0.3
57.03452	0.5
59.01376	100.0
60.01706	1.2
68.99812	0.6
69.03468	0.4
71.01370	0.8
71.15770	0.8
79.57154	0.4
83.05000	0.5
84.99303	4.6
85.02951	0.6
87.00860	0.9
95.01399	0.4
95.05015	0.7
97.06584	3.7
99.00874	0.6
111.08122	0.9
112.92229	0.6
113.09747	1.0
115.00384	0.7
116.34003	0.3
127.00372	2.1
128.98351	0.5
136.25238	0.3
139.07637	0.5
157.08687	12.9
157.12270	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.90903	0.3
57.03444	0.6
58.54521	0.2
59.01379	4.9
63.98286	0.2
67.01920	0.3
67.05518	0.3
68.99815	1.0
69.03465	1.0
70.85865	0.6
71.01385	1.5
71.05018	1.1
73.02945	0.3
75.00895	0.3
81.03453	0.4
83.01406	0.3
83.05022	0.7
84.99312	5.0
85.02979	2.4
85.06607	0.4
87.00875	0.7
94.24956	0.3
95.05032	1.2
96.02238	0.2
97.02923	0.4
97.06587	0.6
99.00877	2.4
99.04508	0.5
103.02881	0.3
109.41814	0.2
111.00891	0.8
111.04507	0.3
111.08144	1.5
112.92286	0.3
113.06089	100.0
113.09685	1.3
114.06413	2.5
115.00356	1.3
127.00372	5.0
128.98322	1.0
139.00351	0.3
139.07657	1.0
156.89508	1.0
157.01442	0.9
157.05064	10.9
157.08696	10.8
157.12341	4.1
158.03630	0.6
158.06183	0.3
158.08192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01869	18.5
55.27716	4.3
57.03445	24.1
58.00579	6.4
59.01376	94.6
67.01882	17.4
67.97945	4.2
69.03436	12.0
71.01376	22.4
71.05022	5.0
72.02146	5.7
72.99310	9.0
73.02941	18.3
81.03439	11.3
83.01388	62.7
83.05018	34.0
84.00904	11.6
84.02150	13.8
85.02943	28.3
86.00092	15.6
93.03429	20.7
95.01379	21.9
95.05033	63.5
96.96000	21.2
97.02961	6.0
97.06599	24.1
98.00086	9.4
99.04520	11.1
99.08150	57.8
107.05032	100.0
109.02941	9.5
109.06562	17.4
111.00878	24.7
111.04520	23.3
111.08164	44.5
112.05307	9.4
113.02447	13.5
113.06083	19.3
114.05614	25.5
115.07632	8.1
123.04501	7.5
125.05275	5.5
125.06047	31.6
127.00339	9.2
127.03934	5.6
127.07634	25.0
127.11275	11.3
137.02414	12.7
137.06042	12.4
138.14799	4.1
140.01147	44.5
154.06316	5.0
154.99861	22.1
155.03589	26.1
155.07135	91.2
155.10764	56.2
155.86551	9.0
156.06625	7.9
167.63712	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	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
50.59997	1.7
51.98337	1.8
54.00346	1.9
55.01870	3.0
57.03437	3.0
58.00591	12.5
59.01376	70.1
70.87129	4.6
71.01381	17.0
71.05017	3.9
72.02181	10.2
72.02537	2.4
72.99294	6.7
79.05519	2.4
80.02692	1.9
81.03439	2.7
81.07079	3.3
83.01377	6.6
83.05020	12.8
84.02166	9.2
85.02933	3.9
86.00085	16.9
86.14139	2.0
90.56036	2.1
93.03465	3.2
95.01373	3.5
95.05024	52.3
96.96017	15.6
97.06576	14.9
99.08158	45.7
107.05025	100.0
108.02155	4.0
108.05343	2.4
109.06573	7.1
111.00868	3.3
111.04527	9.1
111.08159	4.3
112.01618	3.0
113.06077	16.4
114.05599	10.1
123.04462	3.3
125.05226	3.4
125.06084	37.3
127.00332	2.4
127.07659	35.4
137.02473	1.8
137.06094	6.3
140.01080	5.2
144.00592	2.2
154.90573	2.2
155.03525	3.8
155.07124	24.4
164.01213	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	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03963	14.6
66.64053	0.4
67.01884	7.3
67.03831	0.6
69.34822	2.2
69.35250	1.7
81.03488	0.7
88.88937	0.5
91.01878	4.2
91.41355	0.5
101.80109	0.5
108.02182	0.9
109.02953	100.0
110.00112	1.4
110.03297	2.6
122.03786	0.7
123.04523	12.2
125.02408	1.0
135.00888	28.4
136.01210	0.6
137.99586	2.3
138.06873	1.3
142.62148	0.5
153.01938	76.4
153.05469	3.4
153.09196	0.7
154.02330	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.23514	0.2
51.25980	0.2
64.02361	0.2
65.00313	0.2
66.03488	25.3
67.03809	0.4
70.19542	0.6
72.04534	0.2
73.03128	0.2
76.01891	0.2
78.03509	1.2
78.06283	0.3
81.03447	0.7
83.01392	0.2
85.02977	0.4
85.76120	0.2
94.23730	0.2
95.01385	0.4
95.05041	0.3
98.19994	0.3
104.01415	0.4
106.02959	0.4
106.28726	0.2
107.03777	4.4
107.04995	0.3
108.02165	1.5
108.04554	0.8
109.02960	5.2
109.06612	0.4
109.49768	0.3
110.00107	1.2
121.02943	0.6
122.02390	0.9
122.03744	25.7
123.04546	11.5
124.04054	0.3
124.04864	0.5
125.02457	0.9
134.02480	0.3
135.04532	0.5
137.02000	1.6
137.99614	1.2
140.66890	0.3
150.01979	0.3
151.00407	0.5
152.03534	100.0
153.01962	2.7
153.03896	2.4
153.05557	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.92506	0.3
66.03484	21.1
67.03848	0.3
69.49194	0.5
69.49606	1.6
78.13721	0.3
81.03440	0.3
83.01327	0.3
84.65324	0.2
98.20634	0.4
108.02197	1.4
108.04611	0.6
109.02953	4.6
109.06604	0.4
110.00085	0.7
121.02961	0.4
122.03738	34.5
123.04552	8.3
125.02519	0.6
137.01996	0.6
137.99580	0.7
151.87296	0.3
152.03526	100.0
152.91716	0.2
153.01985	2.7
153.03868	2.9
153.05551	1.7
153.09241	0.8
158.57594	0.3
165.80376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	3.5
59.01376	29.4
69.03447	4.9
71.01383	38.8
71.53644	5.1
72.99298	15.9
73.02943	34.7
75.00870	83.3
80.39500	2.5
85.02965	4.4
85.81762	2.6
87.00871	16.3
89.02442	100.0
101.02422	3.2
101.37628	2.6
103.04004	14.3
105.09011	2.5
105.36807	2.9
121.02959	7.4
131.03485	17.3
149.02440	7.4
149.04541	88.9
160.10860	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	149.0455
Annotation	beta-L-lyxopyranose
Peak:m/z	Relative Intensity
55.01843	3.5
59.01376	29.4
69.03447	4.9
71.01383	38.8
71.53644	5.1
72.99298	15.9
73.02943	34.7
75.00870	83.3
80.39500	2.5
85.02965	4.4
85.81762	2.6
87.00871	16.3
89.02442	100.0
101.02422	3.2
101.37628	2.6
103.04004	14.3
105.09011	2.5
105.36807	2.9
121.02959	7.4
131.03485	17.3
149.02440	7.4
149.04541	88.9
160.10860	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	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
51.45005	2.5
52.33381	2.5
57.03450	38.9
59.01382	54.4
68.76488	2.6
70.70530	8.0
71.01384	33.2
71.05019	27.2
72.62535	3.2
72.99317	7.1
73.02937	4.8
73.06596	3.2
75.00864	12.0
83.01365	4.3
83.05026	6.3
85.02956	47.0
87.00883	42.0
87.04552	2.8
89.02425	3.8
99.00914	7.2
101.02462	11.8
101.06081	20.0
103.04027	10.2
129.01942	18.6
147.03000	18.4
147.06636	100.0
165.89302	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	149.0455
Annotation	beta-D-Ribopyranose
Peak:m/z	Relative Intensity
55.01891	2.5
59.01379	24.4
62.90938	2.0
63.34047	2.0
69.03452	3.4
69.66177	13.6
71.01383	38.1
72.61874	1.9
72.99316	20.1
73.02953	37.7
75.00870	83.0
76.56155	2.1
76.79408	2.1
85.02946	2.8
87.00878	22.0
89.02443	100.0
101.02460	2.8
103.04005	16.2
103.77785	2.3
118.61834	2.3
128.37357	2.2
131.03506	12.7
132.53835	2.2
149.00899	3.1
149.03358	4.8
149.04549	91.4
150.04869	2.8
161.01294	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.30254	0.7
56.18282	0.8
70.93044	1.8
97.06616	1.4
99.08153	100.0
100.08492	3.3
145.08696	53.9
146.09044	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	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
56.79463	2.7
57.03447	14.8
58.00573	6.5
59.01376	100.0
59.58659	2.3
67.01868	4.3
71.01379	29.4
71.54166	4.5
72.99297	10.7
75.00861	23.4
76.51661	2.1
77.98640	2.1
80.04757	2.1
83.01383	9.0
85.02934	9.5
86.35586	2.4
87.00868	3.6
89.02426	8.4
89.63976	2.1
99.00903	11.2
101.02434	6.6
103.05952	6.1
103.78069	2.2
111.00875	7.5
117.01931	3.8
129.01958	11.3
129.03891	3.4
147.02966	14.5
163.39970	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	145.0143
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
51.21563	4.9
51.77245	4.9
55.01873	7.4
57.03447	18.9
58.81332	4.6
59.01375	16.1
71.01382	36.8
71.10906	11.6
72.99315	11.3
73.02943	14.8
83.01378	15.4
83.68500	5.5
84.04560	6.0
87.00889	23.9
89.97263	4.9
99.00928	8.4
101.02447	100.0
102.05599	41.0
104.76424	5.3
107.85192	4.7
112.98827	5.5
115.00353	40.4
123.61804	5.4
127.00359	22.9
127.05121	5.4
128.03496	22.3
145.01440	26.9
145.06050	5.6
146.04559	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	145.0143
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
55.01875	12.7
57.03451	14.5
59.01377	46.5
71.01382	88.7
71.32394	15.4
72.99303	26.1
73.02956	12.4
83.01408	42.3
84.04572	11.8
87.00884	67.1
95.18652	7.7
96.75389	8.3
99.00929	12.2
101.02442	97.2
102.05599	93.9
106.41235	7.6
111.14579	8.5
115.00364	100.0
127.00381	43.9
128.03523	39.9
145.01431	55.4
146.04590	24.4
146.53398	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	22.1
55.01866	14.1
59.01382	35.3
66.78934	4.4
68.99815	5.4
70.94540	9.8
70.94884	5.5
71.01377	72.4
83.01389	8.9
87.00871	9.9
96.99322	13.2
99.00884	8.0
112.98772	19.3
114.87138	4.7
124.98808	61.1
136.08888	4.1
140.98320	11.6
142.99855	100.0
144.58560	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.91202	0.2
57.36953	0.2
69.16993	2.1
69.17394	0.5
78.57037	0.2
87.23615	0.3
94.03799	0.7
95.01366	0.4
108.02177	51.3
109.02488	1.9
111.00883	0.7
138.01979	100.0
139.00461	0.5
139.02333	4.5
139.03989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01900	0.5
67.01895	0.6
67.18508	0.3
70.30309	1.2
79.95747	0.5
93.03468	0.8
94.03057	0.3
94.03253	0.4
94.03788	2.9
94.98063	1.0
95.01350	0.4
108.02174	49.3
109.02483	1.8
111.00894	2.2
111.04465	0.3
120.81217	0.4
123.03254	0.8
123.85282	0.4
131.73299	0.4
138.01971	100.0
139.00391	1.2
139.02322	4.0
139.04031	1.1
154.61263	0.4
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
58.00587	0.9
59.01378	10.3
70.25709	3.6
70.26155	0.7
71.01385	7.5
72.98896	0.9
72.99306	18.1
73.02951	1.2
75.00873	100.0
75.46553	0.8
76.01213	1.5
82.46375	0.9
85.02956	3.2
87.00896	1.9
89.02446	8.2
107.05032	1.4
117.00821	2.0
117.01940	3.6
135.02998	34.2
135.04497	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	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.9
59.01378	10.3
70.25709	3.6
70.26155	0.7
71.01385	7.5
72.98896	0.9
72.99306	18.1
73.02951	1.2
75.00873	100.0
75.46553	0.8
76.01213	1.5
82.46375	0.9
85.02956	3.2
87.00896	1.9
89.02446	8.2
107.05032	1.4
117.00821	2.0
117.01940	3.6
135.02998	34.2
135.04497	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73462	0.9
60.51148	0.9
70.49322	2.9
71.01380	60.6
72.01717	2.0
72.99306	13.2
86.25391	0.8
87.00895	1.1
89.02441	7.1
98.20586	0.8
99.03175	0.9
103.78783	0.8
115.00370	100.0
116.00689	3.3
133.01425	27.1
146.07430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
52.41318	0.3
56.67705	0.3
59.37107	0.3
65.01443	0.9
68.02538	0.4
69.58369	0.3
70.58257	0.8
75.00874	0.4
92.02549	6.1
98.19952	0.4
107.03639	27.7
108.03976	0.4
134.04730	100.0
135.03532	0.3
135.05226	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37189	0.8
59.01360	1.7
70.38965	1.5
70.39336	1.6
71.01379	60.5
72.01720	1.3
72.99300	13.4
87.00867	3.2
89.02429	9.0
98.93635	0.8
115.00368	100.0
116.00691	3.3
133.01428	28.4
133.05031	3.7
134.01773	1.0
138.85767	0.7
148.80740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01377	1.9
60.05170	0.9
67.51146	0.9
70.60390	2.3
71.01382	60.3
72.99303	14.5
87.00861	1.6
87.31245	0.8
89.02431	6.5
112.12421	0.8
115.00375	100.0
116.00719	3.5
133.01436	31.6
133.05058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.34765	1.0
61.13343	0.9
66.15664	1.0
69.56139	5.7
71.01382	56.3
72.01708	1.5
72.99313	15.5
87.00880	1.3
89.02438	6.0
92.02534	1.2
92.37357	1.1
107.03653	6.1
115.00375	100.0
116.00713	2.1
132.86797	2.4
133.01436	26.7
134.04727	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.40373	0.8
66.19942	0.6
70.58897	0.7
70.59212	1.5
85.02953	0.6
87.04511	1.9
88.04026	0.9
94.18529	0.6
130.08734	100.0
131.09074	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	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
54.96287	8.2
57.03426	18.1
67.01891	12.8
71.00195	25.6
71.01395	13.6
74.92406	9.2
83.05048	19.7
85.02946	19.9
85.06575	46.1
111.04503	17.0
128.90157	38.7
129.01927	19.7
129.05579	100.0
130.08748	19.8
135.96652	8.0
139.04114	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	129.0559
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
50.53214	15.3
55.01878	21.8
57.03433	30.0
57.51569	13.0
65.95292	12.6
70.73204	37.3
71.01389	19.2
85.02955	54.1
85.06602	15.5
120.28973	13.6
128.90114	32.4
129.01941	34.1
129.05586	100.0
130.08682	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.87652	6.0
55.01882	14.3
57.02400	5.3
57.03453	68.7
59.01362	14.2
67.01891	91.5
69.28375	30.4
69.28807	21.4
71.01380	100.0
83.01367	9.9
84.71734	5.1
85.02944	59.7
88.04028	10.6
90.64190	5.5
97.02950	6.6
98.20627	9.2
102.80427	5.6
121.29577	5.6
129.01944	50.5
129.54744	6.8
130.08740	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	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
54.01396	5.3
54.46909	5.4
55.01870	11.5
57.03454	56.3
67.01887	100.0
68.99800	5.2
69.28437	25.4
69.28860	20.2
71.01383	12.1
85.02942	18.0
88.04033	8.6
102.15848	5.1
105.27530	5.2
122.83169	5.0
128.90140	13.0
129.01917	14.9
145.07480	5.0
146.98384	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01871	8.3
57.03447	54.7
66.60751	3.1
67.01888	100.0
70.38863	7.1
70.39230	7.8
71.01360	4.5
71.88202	3.2
83.01397	4.1
85.02966	16.7
88.04032	15.7
99.00980	3.8
106.97510	3.6
116.97946	3.1
121.52687	3.4
129.01933	15.8
130.08705	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	127.0765
Annotation	Ethyl 2-methylbut-2-enoate
Peak:m/z	Relative Intensity
52.15115	4.3
59.38123	4.2
60.78405	4.2
70.24171	21.0
71.01380	8.2
79.89394	4.7
81.03452	5.0
83.05025	12.9
85.02927	23.5
93.93096	4.2
98.20683	4.2
99.04515	11.4
99.65585	4.3
110.90882	5.4
114.06354	4.5
126.90438	100.0
127.00366	25.1
127.03978	25.1
127.07658	55.4
128.03528	13.5
128.07184	29.7
146.17592	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	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
52.03986	5.9
59.30091	5.9
69.35784	8.2
69.36098	51.4
71.01376	13.4
83.05024	17.8
85.02937	20.1
98.49918	5.9
110.71040	6.3
126.90427	100.0
126.99539	8.7
127.00382	24.7
127.04010	29.3
127.07652	97.4
128.03502	15.4
128.07188	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
55.79007	0.2
65.03960	0.3
69.44088	1.9
82.20023	0.2
84.73499	0.3
91.01936	0.6
93.03443	1.9
94.02975	0.4
95.01395	0.4
98.19906	0.6
108.02175	2.3
121.02951	100.0
122.02453	0.4
122.03275	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	1187.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
94.98090	0.3
96.96965	6.2
99.92498	0.2
110.56905	0.2
135.04474	0.3
150.97948	0.5
152.99593	46.9
153.99928	0.4
171.00658	1.3
173.04468	0.3
191.05608	0.6
206.51863	0.2
223.00131	6.4
225.00693	0.3
241.01196	13.6
256.02887	0.3
259.02267	0.9
277.21722	28.1
278.22043	1.8
315.04907	5.0
333.06070	0.6
577.26886	2.4
578.27087	1.6
593.27325	100.0
594.27612	8.1
594.37152	0.4
778.53772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46054	0.5
69.51399	2.7
69.65632	0.4
73.02949	100.0
74.03297	1.7
96.71483	0.5
99.00880	8.5
99.51331	0.5
99.92583	1.6
116.92870	3.6
117.01099	0.9
117.01944	17.5
118.76715	0.6
127.16972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
69.58279	4.5
71.01371	1.2
73.02944	100.0
74.03288	2.7
99.00880	9.0
108.38826	0.6
117.01118	1.0
117.01939	16.3
136.75771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0765
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
57.61702	1.5
59.01380	1.7
71.01374	5.3
71.05018	2.8
75.05625	1.3
81.90343	1.2
97.93147	1.6
114.93439	6.5
115.04026	3.1
115.05947	2.9
115.07646	100.0
116.07172	3.7
116.07996	3.6
121.30984	1.3
124.09998	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	1155.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	6.7
80.96513	36.0
81.03455	0.3
83.01371	0.1
85.02947	1.4
87.00873	1.4
91.04018	0.1
94.98082	10.0
95.01386	0.3
96.95997	0.6
97.02948	0.9
98.20684	0.2
99.00878	0.4
99.04489	0.1
101.02437	1.4
106.98083	1.7
113.02440	0.3
120.99582	0.1
122.97578	3.5
123.97970	0.1
125.02443	2.2
127.04018	0.5
134.97586	2.8
136.99126	0.9
142.11169	0.1
143.03468	0.1
146.97574	0.3
148.99127	3.5
152.98622	4.6
164.98615	8.0
165.98958	0.2
167.00197	0.5
176.98698	0.1
179.00220	0.2
182.99672	1.4
188.98637	0.3
206.99672	2.4
225.00722	16.0
226.01074	0.3
240.16145	0.1
243.01753	1.5
277.21716	1.8
278.22079	0.1
299.04388	3.0
300.04886	0.1
317.05548	0.3
474.73184	0.1
577.26813	100.0
578.27148	9.9
703.64966	0.1
869.96320	0.1
1176.81323	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48007	3.4
53.55096	3.7
57.50903	3.5
59.01379	9.2
69.59568	20.1
71.01380	100.0
71.05013	5.8
71.52386	3.5
98.20582	8.2
115.00340	9.0
115.04000	6.2
115.05914	18.0
116.07182	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	115.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14408	4.3
70.87954	11.9
71.01381	100.0
84.51543	5.1
96.45307	4.5
100.88967	4.3
115.00359	17.3
124.12470	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	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
52.90166	3.8
70.60114	12.6
71.01385	100.0
115.00355	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	1147.6265
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.8
83.01387	3.0
85.02952	6.3
86.00070	0.6
87.00875	7.9
89.02448	17.2
95.01376	3.0
96.96007	1.0
97.02956	2.8
98.20611	1.0
99.00907	1.0
101.02451	21.7
103.04061	0.6
111.00886	0.5
111.04572	0.5
111.08119	0.8
113.01723	0.9
113.02458	14.2
115.04065	0.6
119.03497	4.5
125.02463	9.0
131.03494	4.1
133.05008	0.7
143.03488	3.4
149.04536	1.2
149.11942	0.5
161.04562	8.6
179.05611	5.0
191.05673	0.6
197.11797	2.8
203.05792	0.8
211.13428	0.7
214.89355	0.5
221.06720	3.4
235.08221	3.6
245.06589	0.7
253.09323	4.9
277.21713	13.8
278.22009	0.6
295.23175	0.5
305.08621	1.0
309.20746	2.6
323.09903	1.4
379.12515	0.6
383.12021	1.3
397.13474	18.6
398.13696	1.5
415.14667	9.4
416.15100	0.6
485.14954	1.2
541.17853	0.9
541.80591	0.6
559.18774	100.0
560.19183	6.4
577.19861	33.2
578.20367	2.5
645.93439	0.5
675.36029	3.4
837.41254	36.3
838.41797	4.5
887.92487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.6602
Annotation	Unknow
Peak:m/z	Relative Intensity
89.97604	0.2
96.96971	0.3
98.20278	1.4
100.26689	0.2
110.98540	51.4
111.98902	0.2
112.05247	0.2
137.00114	0.3
152.99590	4.8
167.01164	3.3
185.02205	100.0
186.02498	1.0
227.16197	0.2
253.21733	31.2
254.22034	1.4
382.96719	0.2
407.59503	0.2
411.47827	0.2
421.23624	59.2
422.23950	3.1
488.80249	0.2
844.26135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.661
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34112	0.1
81.03455	0.8
83.05026	1.3
85.02959	0.6
87.00879	1.3
89.03969	0.3
93.03460	14.5
94.03812	0.2
95.01359	0.1
97.06588	2.6
98.06903	0.2
99.04521	0.1
100.40712	0.1
101.60929	0.1
105.03455	1.3
106.04240	0.7
107.05062	0.2
108.02155	0.2
109.02970	0.8
110.06162	0.1
111.00861	0.6
111.04517	4.7
113.02460	0.2
117.03471	0.3
119.05035	0.4
121.02953	1.6
123.00874	0.2
123.04527	0.4
127.04059	0.6
129.01921	0.6
132.02248	0.1
133.02962	14.0
134.03745	63.4
135.04535	24.6
135.05327	0.2
136.01700	0.2
136.04836	0.6
137.02448	9.4
138.02835	0.1
139.02928	0.1
139.04018	2.6
139.05070	0.1
146.71162	0.1
148.01642	0.1
149.02403	0.4
150.03217	1.0
151.00352	0.2
151.03963	0.8
155.02249	0.3
155.03508	5.1
162.03215	0.7
163.04015	0.2
165.01920	0.3
166.02705	0.5
166.99847	0.1
173.04544	24.2
174.04881	0.6
177.01932	16.3
178.02710	52.0
179.03488	18.5
180.03792	0.5
180.06548	0.3
181.05048	0.5
187.07620	0.3
191.05609	2.6
203.10741	0.2
213.09213	0.9
231.10275	4.9
235.85580	0.1
247.09743	0.5
257.08395	0.1
269.04636	0.3
275.09247	14.3
276.09613	0.7
286.92435	0.1
293.10309	59.0
294.10641	2.2
342.16861	0.2
387.11130	0.2
417.15613	0.7
437.14301	0.4
439.13531	0.4
449.14523	5.3
450.14798	0.3
466.11856	0.6
467.15567	100.0
468.15906	5.0
573.22107	0.1
677.48755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0561
Annotation	D-Proline
Peak:m/z	Relative Intensity
59.01359	1.6
66.03479	2.0
70.19993	2.3
71.01376	11.9
80.37592	0.6
86.02470	0.8
98.19912	0.9
114.05604	100.0
115.00351	1.8
115.05952	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	1135.7117
Annotation	Unknow
Peak:m/z	Relative Intensity
80.61296	0.1
81.03448	3.2
81.43462	0.1
83.01381	4.4
83.05019	7.4
84.05331	0.1
85.02943	1.9
87.00874	0.3
89.02438	1.8
93.03432	0.2
94.28331	0.1
95.01385	0.5
97.02938	0.2
98.20530	0.2
99.00873	0.3
99.04505	0.1
101.02434	12.3
103.03957	0.1
107.06144	0.2
108.04517	0.3
110.23208	0.1
113.02441	4.4
119.03503	1.5
125.02450	0.5
125.07195	0.6
126.05592	0.2
131.03488	1.4
134.03671	0.2
135.04436	0.1
143.02426	0.1
143.03493	1.5
143.08215	0.3
149.04556	3.0
155.03479	0.5
161.04543	5.0
162.04851	0.1
173.04543	0.2
179.05571	0.1
191.05640	0.5
199.18188	0.1
203.05609	1.2
207.14969	0.6
221.06644	2.0
224.17653	1.6
225.16060	9.1
226.16394	0.3
242.18703	0.3
250.15456	0.1
268.16418	0.1
291.20886	0.1
309.21796	0.4
324.26535	0.2
333.23141	0.5
333.26398	0.1
341.29193	0.7
350.24429	0.1
367.27066	1.3
371.20715	0.4
385.28094	0.2
407.33713	0.2
413.21671	1.0
433.31750	0.9
450.34488	1.0
451.32852	7.4
452.33322	0.7
461.07687	0.1
476.32538	0.1
533.40979	0.1
535.38531	0.2
550.43408	0.9
559.39807	0.4
565.44568	0.3
567.46045	0.2
577.40924	0.3
593.43854	0.9
659.48517	2.5
660.48907	0.3
677.49609	100.0
678.49933	10.3
679.50275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6389
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	30.1
96.96957	2.1
102.83472	0.1
150.98047	0.6
152.99579	40.5
153.99907	0.5
171.00632	10.8
199.93967	0.1
205.65167	0.1
227.03244	2.3
245.04294	48.8
246.04628	0.8
253.21709	19.6
254.21999	0.7
481.25671	100.0
482.26050	6.8
482.33212	0.2
579.28589	0.1
596.89929	0.1
1019.22858	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28116	0.3
53.31194	0.3
55.01877	1.0
57.03440	4.0
68.99568	100.0
69.03457	1.2
69.19926	0.4
69.99908	0.9
71.01375	0.7
71.55894	0.6
83.01400	0.6
84.02156	1.6
85.02943	10.6
86.03313	0.3
95.01402	0.3
110.61766	0.4
112.98557	2.6
113.02441	3.3
114.05604	14.5
114.06413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.11154	0.3
57.03437	1.7
68.99570	100.0
69.03448	0.5
69.46120	1.9
69.46537	0.9
69.99902	0.7
84.02162	0.4
85.02962	3.6
112.98550	3.5
113.02460	1.7
113.06097	6.9
113.06819	0.7
114.05608	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	1115.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	9.4
85.02951	19.8
86.65765	0.7
87.00855	3.6
89.02448	26.0
93.03472	1.7
95.01390	5.8
96.96014	2.1
97.02952	1.3
99.00877	2.8
101.02447	40.3
113.02454	59.7
119.03499	11.8
125.02446	2.2
127.45189	0.6
127.53362	0.7
131.03499	3.5
143.03481	5.6
149.04546	8.3
155.03462	0.9
161.04561	29.4
173.04536	3.1
179.05618	10.6
191.05629	3.9
197.11768	1.7
209.11896	0.9
213.49911	0.7
221.06593	3.5
253.09201	1.6
275.09039	0.8
291.19794	1.4
309.20746	2.8
465.28577	100.0
466.28766	7.0
483.29651	26.5
484.29935	2.2
525.30676	38.1
526.30872	3.4
545.21088	1.0
545.30042	2.3
655.70520	0.8
661.60187	0.8
904.82684	0.8
939.36810	0.9
1115.43213	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	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01674	0.9
55.01880	10.4
58.61583	0.9
59.93391	0.9
67.01887	20.5
71.01366	1.6
71.54105	1.2
75.25803	1.2
78.95903	100.0
83.01386	43.1
83.01893	2.3
110.97571	4.1
110.98465	2.6
111.00880	30.8
111.02013	3.2
111.04523	1.4
112.01236	1.4
120.39280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6401
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05563	0.2
81.03449	0.8
83.01411	0.2
83.05024	4.2
85.02981	0.6
85.06586	1.6
87.00890	0.5
89.02440	1.7
91.05566	0.3
93.03490	0.6
93.21506	0.1
95.01403	0.2
95.05014	0.8
97.03006	0.7
97.06591	2.0
101.02431	1.9
105.07139	0.4
106.04295	0.2
107.05058	0.4
107.08707	0.4
109.06575	1.1
109.42598	0.2
111.04539	0.4
111.08161	2.3
113.02418	0.9
118.17482	0.1
119.03523	0.8
119.05056	0.7
119.08688	0.4
121.06644	0.2
121.10204	0.4
123.08157	0.9
125.02450	0.9
125.09711	5.5
125.10600	0.3
129.09239	0.2
131.08675	0.2
133.05070	0.1
133.06596	0.5
133.10292	0.5
135.08192	0.7
137.09723	1.0
143.03526	0.2
145.06592	0.2
147.08208	0.3
149.09740	0.4
151.11258	0.8
153.09248	0.5
159.08130	0.2
159.11787	0.4
161.04602	0.5
161.09732	0.3
163.07660	0.4
163.11304	0.6
165.09151	0.2
165.12880	0.3
167.10785	0.3
167.14450	0.2
171.10252	3.6
171.11656	0.2
175.11404	0.3
177.12854	0.3
179.05588	0.3
179.14427	0.2
183.13965	0.5
185.11827	0.2
185.86839	0.2
187.14909	1.4
189.16493	0.3
191.10866	0.2
193.12340	0.3
195.13908	0.2
199.06143	0.2
200.72429	0.2
201.12997	0.2
203.14461	0.8
203.17981	0.2
205.12518	0.2
205.15958	3.7
207.13866	1.6
209.11769	1.1
211.13371	5.9
213.12860	0.4
213.14868	0.2
215.14413	0.8
219.10307	0.3
219.13867	0.3
221.06770	0.2
221.15474	2.2
221.64722	0.1
223.13394	0.2
223.17073	0.2
225.15039	0.2
229.15829	0.3
229.31947	0.2
231.13870	3.0
233.15436	17.9
234.15823	0.6
235.08195	0.9
235.13313	1.1
235.17032	0.3
237.14990	0.4
239.16370	0.9
245.15329	0.2
247.13316	0.2
247.14264	0.2
247.17004	4.0
247.19455	0.3
248.17377	0.2
249.14934	14.7
250.15306	0.5
251.16531	0.7
253.09377	0.2
257.17761	0.2
259.20636	0.2
261.18823	0.2
263.16592	1.0
265.18094	0.3
266.15198	2.2
267.15503	0.2
277.21695	6.2
278.22067	0.4
279.19864	0.2
287.07727	0.4
287.20123	0.2
288.17474	0.3
289.18140	0.2
297.20526	0.2
305.08737	0.4
305.20877	0.2
313.25305	1.1
323.23801	1.2
331.26376	1.1
339.23431	0.4
341.24786	2.6
347.15649	0.3
349.21768	0.2
355.26028	0.2
357.24344	1.0
359.25854	0.6
367.22720	1.5
373.27469	0.8
375.25327	0.9
385.23779	5.1
397.13458	10.3
398.13852	0.5
399.25363	0.5
403.24890	2.6
407.28104	0.6
415.14523	3.6
417.26434	51.2
418.26797	2.7
435.27466	100.0
436.27802	5.1
647.44769	0.2
675.35895	0.6
1143.36987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01874	21.6
58.05724	1.2
59.49895	1.1
60.26701	1.1
67.01559	1.9
67.01888	18.8
71.01376	4.0
71.54031	1.5
71.54435	1.5
74.72758	1.1
78.95905	100.0
83.01387	76.2
84.01714	2.4
110.97562	5.1
110.98482	3.2
111.00879	47.6
111.02005	3.8
111.04517	2.7
112.01246	1.3
129.09711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6022
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	0.2
78.98600	2.9
79.95737	5.8
80.96519	33.5
81.03471	0.4
81.95277	0.1
85.02948	1.4
87.00878	1.3
93.29014	0.1
94.98091	8.6
96.96001	1.0
96.96948	0.2
97.02949	1.1
99.00895	0.4
99.04517	0.2
101.02437	1.3
106.98089	1.4
113.02439	0.3
119.73159	0.1
120.99609	0.1
122.97597	2.1
125.02449	1.6
127.04021	0.6
127.48836	0.1
134.97585	3.0
136.99139	0.8
146.97552	0.2
148.99141	3.8
152.98634	3.4
152.99608	0.2
164.98631	7.3
165.98953	0.1
167.00189	0.3
179.00208	0.2
188.65967	0.1
188.98621	0.3
206.99709	1.8
225.00739	14.0
226.01112	0.2
273.93781	0.1
277.21716	1.6
279.23257	2.0
285.75748	0.1
299.04419	2.7
374.71362	0.1
385.26422	0.1
500.01840	0.1
504.31055	1.3
546.56805	0.1
551.38635	0.1
577.26862	100.0
578.27167	7.6
578.36322	0.3
595.29999	0.2
608.58289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	7.7
83.05032	0.2
86.61149	0.1
94.99113	0.1
104.97472	0.3
110.98540	4.8
127.07665	0.2
137.00165	0.1
141.09344	0.1
152.99588	0.4
167.01157	2.4
185.02206	4.0
186.02594	0.1
205.19623	0.2
233.15515	0.1
233.22820	0.6
259.20728	0.5
269.04510	0.2
275.20224	0.7
277.21719	100.0
278.22055	4.4
279.22321	0.2
443.21902	0.1
445.23605	65.8
446.23959	3.5
446.30319	0.1
447.24255	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00883	0.6
75.66794	0.4
81.03466	0.7
83.01377	4.8
85.02938	2.7
87.00865	0.9
89.02451	1.9
93.03459	0.7
93.19687	0.4
95.01382	0.5
96.96023	4.3
99.00905	1.1
101.02448	2.5
107.01389	12.8
113.02449	1.8
113.77960	0.4
121.02912	1.0
123.04503	0.8
124.01611	0.5
125.02446	17.4
133.03009	0.6
137.02499	0.6
147.04637	0.4
149.02440	0.5
151.00360	28.5
161.02496	1.1
165.01910	1.4
167.03488	1.2
169.01503	0.5
172.05254	1.8
173.02379	0.9
173.04532	1.3
174.03212	1.1
177.01866	0.4
185.06125	1.0
186.06885	2.4
191.05617	2.4
198.03136	0.5
199.03889	0.5
199.07722	0.7
200.04788	0.7
209.06018	0.5
210.06902	0.6
211.03906	0.9
212.04773	2.6
212.21472	0.4
216.04263	0.6
221.06659	0.6
227.03546	0.8
228.04266	0.5
239.11079	0.4
240.04271	0.8
243.02943	0.5
255.02994	1.1
255.13896	0.9
256.03741	1.6
270.05389	0.5
272.76831	0.4
280.03690	0.4
281.15417	1.0
282.01743	0.5
283.02466	1.4
284.03250	5.7
285.03796	0.6
295.02560	1.2
296.03339	2.1
297.04022	0.8
297.14929	11.4
298.04749	1.2
298.15314	0.6
301.07196	0.6
304.27603	0.5
309.04007	4.1
315.16019	6.5
320.03149	0.5
321.15045	1.1
323.05640	1.0
323.12946	0.7
324.02884	0.9
324.06244	0.8
325.14410	6.5
337.03510	0.7
337.07187	0.9
338.04184	0.9
339.16022	0.9
341.13940	1.6
343.15521	12.3
344.15866	0.7
349.14276	1.2
351.12521	0.6
367.15631	3.3
369.13470	3.4
387.15482	0.6
391.15704	2.2
397.74997	0.4
399.18091	0.6
405.17004	0.5
409.16708	0.5
415.15158	1.1
417.19272	0.6
433.16464	0.9
449.16019	8.8
450.16330	0.6
459.14560	4.1
467.17096	5.4
477.15549	7.8
495.16718	2.2
541.20837	0.5
551.19464	0.8
597.28455	0.5
605.22717	0.5
741.30005	1.5
765.30017	1.3
767.27869	3.3
789.30023	0.7
831.30200	0.6
865.31934	1.3
875.29675	4.0
893.30847	43.6
894.31244	5.0
1051.32703	1.4
1069.34009	100.0
1070.34412	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	1063.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
89.25630	4.3
92.72626	4.4
104.79800	5.6
132.42749	5.1
277.21756	5.3
310.22495	4.6
344.83643	4.7
549.28363	100.0
550.28870	6.8
895.96057	5.8
954.38403	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	1069.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00883	0.6
75.66794	0.4
81.03466	0.7
83.01377	4.8
85.02938	2.7
87.00865	0.9
89.02451	1.9
93.03459	0.7
93.19687	0.4
95.01382	0.5
96.96023	4.3
99.00905	1.1
101.02448	2.5
107.01389	12.8
113.02449	1.8
113.77960	0.4
121.02912	1.0
123.04503	0.8
124.01611	0.5
125.02446	17.4
133.03009	0.6
137.02499	0.6
147.04637	0.4
149.02440	0.5
151.00360	28.5
161.02496	1.1
165.01910	1.4
167.03488	1.2
169.01503	0.5
172.05254	1.8
173.02379	0.9
173.04532	1.3
174.03212	1.1
177.01866	0.4
185.06125	1.0
186.06885	2.4
191.05617	2.4
198.03136	0.5
199.03889	0.5
199.07722	0.7
200.04788	0.7
209.06018	0.5
210.06902	0.6
211.03906	0.9
212.04773	2.6
212.21472	0.4
216.04263	0.6
221.06659	0.6
227.03546	0.8
228.04266	0.5
239.11079	0.4
240.04271	0.8
243.02943	0.5
255.02994	1.1
255.13896	0.9
256.03741	1.6
270.05389	0.5
272.76831	0.4
280.03690	0.4
281.15417	1.0
282.01743	0.5
283.02466	1.4
284.03250	5.7
285.03796	0.6
295.02560	1.2
296.03339	2.1
297.04022	0.8
297.14929	11.4
298.04749	1.2
298.15314	0.6
301.07196	0.6
304.27603	0.5
309.04007	4.1
315.16019	6.5
320.03149	0.5
321.15045	1.1
323.05640	1.0
323.12946	0.7
324.02884	0.9
324.06244	0.8
325.14410	6.5
337.03510	0.7
337.07187	0.9
338.04184	0.9
339.16022	0.9
341.13940	1.6
343.15521	12.3
344.15866	0.7
349.14276	1.2
351.12521	0.6
367.15631	3.3
369.13470	3.4
387.15482	0.6
391.15704	2.2
397.74997	0.4
399.18091	0.6
405.17004	0.5
409.16708	0.5
415.15158	1.1
417.19272	0.6
433.16464	0.9
449.16019	8.8
450.16330	0.6
459.14560	4.1
467.17096	5.4
477.15549	7.8
495.16718	2.2
541.20837	0.5
551.19464	0.8
597.28455	0.5
605.22717	0.5
741.30005	1.5
765.30017	1.3
767.27869	3.3
789.30023	0.7
831.30200	0.6
865.31934	1.3
875.29675	4.0
893.30847	43.6
894.31244	5.0
1051.32703	1.4
1069.34009	100.0
1070.34412	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	1059.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03957	2.2
78.95895	3.8
79.95742	1.6
80.96512	9.5
81.03471	1.5
83.05018	2.0
83.33900	0.9
93.03452	16.9
94.98074	2.4
95.04996	3.8
96.95977	1.2
105.03445	16.9
109.02943	2.6
111.00843	1.6
111.04518	8.9
121.02900	1.9
122.97526	1.0
123.04508	2.0
129.01915	1.1
133.02954	100.0
134.03763	21.5
134.08420	1.0
135.04549	10.8
137.02441	14.5
139.03972	3.8
150.03151	1.4
152.99551	3.4
155.03531	5.2
164.98618	1.4
173.04552	26.2
177.01929	53.8
178.02707	24.4
179.03500	8.4
191.05627	6.4
211.13351	5.0
225.00739	3.5
237.83122	1.1
245.04346	2.3
277.21628	3.2
299.04529	1.2
309.14871	2.2
327.15945	3.6
351.07089	3.5
353.13589	1.5
481.25299	5.9
555.28461	33.5
707.43579	2.4
823.46832	2.5
823.74353	1.2
841.47253	10.8
842.48010	2.0
867.45264	2.8
885.46362	34.2
886.46228	3.9
965.48700	1.3
967.25348	1.2
1059.51563	64.6
1060.51672	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	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01379	18.1
59.31337	1.1
69.65900	2.1
69.66306	4.4
72.99309	66.2
73.99642	1.8
75.00875	20.8
87.00893	1.5
105.01936	100.0
106.02271	2.8
120.84765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98375	0.9
59.01382	19.3
60.73612	0.8
70.68111	2.3
72.99309	62.8
73.99674	1.1
75.00874	22.4
85.07631	1.1
97.92009	1.0
105.01936	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	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.5
65.57263	1.0
66.91670	1.1
70.54688	2.6
72.99310	60.8
73.99662	1.1
74.65064	1.2
75.00874	19.2
94.40375	1.3
103.00363	1.4
105.01936	100.0
106.02269	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	1037.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02954	0.6
74.57645	0.4
78.98588	3.0
79.95739	5.6
80.96523	32.8
85.02968	1.2
87.00891	1.4
94.98093	8.1
96.96000	0.8
97.02977	0.9
99.00869	0.4
101.02428	1.5
106.98093	1.8
122.97572	2.2
125.02412	2.3
127.04047	0.7
134.97588	2.6
135.02890	0.5
136.17117	0.4
136.99141	1.0
148.99133	3.7
152.98621	3.3
164.98615	5.7
182.99681	0.7
206.99704	1.9
214.88260	0.5
225.00752	13.5
243.01837	1.0
250.81282	0.4
255.23268	2.1
262.52328	0.4
288.92090	0.5
299.04453	2.6
435.60529	0.5
529.03552	0.5
553.27008	0.5
555.28436	100.0
556.28625	6.0
599.78552	0.4
1021.51849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02949	0.3
74.41295	0.1
77.32918	0.1
77.66158	0.1
80.02682	0.2
81.03461	0.3
83.01403	0.3
83.05050	0.8
84.02161	0.3
85.02950	3.5
87.00879	0.4
89.02444	1.1
93.03455	0.3
95.05045	0.9
96.96026	0.3
97.02939	0.9
97.06591	3.0
99.00883	0.2
101.02432	1.4
109.06601	0.4
110.03773	0.3
111.04526	0.3
111.08141	0.8
113.02447	0.8
119.03523	0.4
119.04980	0.3
119.08639	0.1
123.08155	0.4
125.02428	0.5
125.06005	0.1
125.09708	1.0
127.07677	0.2
127.11283	1.2
133.02991	0.1
135.04543	0.2
135.08118	0.1
137.09709	0.9
139.03914	0.1
143.03487	0.2
149.09741	0.2
151.11253	0.1
153.09218	0.2
155.10783	0.5
155.14441	0.6
161.04593	0.3
163.11320	0.3
165.05573	0.1
165.12823	1.0
167.10742	0.4
167.14386	0.8
169.12302	0.2
171.10272	10.0
172.10632	0.2
173.04555	0.2
175.11259	0.3
177.12869	0.8
179.05583	0.3
179.14453	0.2
181.12398	0.5
183.13902	3.4
185.11784	1.1
191.05656	0.3
193.12328	1.5
195.13907	0.6
197.11839	3.4
199.13382	0.5
201.11328	0.3
203.10732	0.7
209.11839	1.9
209.15402	0.2
210.36624	0.1
210.38914	0.1
211.13390	19.1
212.13739	0.6
221.06877	0.1
221.11818	3.5
221.15421	0.3
223.13493	0.3
223.16983	0.2
225.11385	0.1
227.12872	0.4
229.14438	13.4
230.14761	0.3
233.15466	0.2
235.08234	0.4
239.12854	2.0
247.20683	0.4
251.16466	0.5
253.09315	0.2
263.20132	0.2
273.18573	0.4
291.19656	5.6
292.20117	0.2
305.08713	0.2
309.20703	15.7
310.21057	0.5
327.21750	100.0
328.22083	4.1
397.13489	4.2
415.14554	7.3
416.15021	0.3
545.59900	0.1
595.27075	0.2
609.27588	0.2
689.33838	0.4
707.34918	3.6
708.35156	0.3
798.50806	0.1
895.02893	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5963
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99293	0.9
73.02949	1.1
75.94537	0.4
81.03447	0.5
82.62926	0.4
83.01374	1.3
83.05019	1.3
84.01803	0.4
84.02174	3.9
85.02947	3.0
85.06600	0.4
87.00872	2.9
89.01934	0.6
89.02443	8.4
92.78230	0.4
93.03419	0.6
95.01350	1.0
95.04951	0.5
96.96006	10.3
97.02930	2.4
97.06575	7.0
99.00878	1.0
99.04513	1.0
101.02450	10.3
109.02901	0.5
111.04549	0.5
113.02436	4.6
119.03503	2.5
121.10234	5.0
125.01707	0.4
125.02445	3.7
125.09695	1.5
127.11300	0.9
132.02956	0.8
137.09673	1.1
139.03993	0.5
143.03477	2.0
149.04601	0.5
161.04555	2.4
165.12833	1.2
171.10266	26.9
172.10548	1.2
173.04489	0.6
175.11206	1.2
177.12802	0.5
179.05618	2.5
183.13875	1.3
185.11853	0.7
191.05583	1.7
193.12329	11.0
197.11833	0.5
197.15459	0.9
209.11925	0.6
211.13370	4.5
221.06630	0.7
221.11801	0.7
225.14951	18.4
231.21071	0.8
235.08232	3.6
235.16980	1.5
243.16014	8.5
253.09138	1.3
263.07492	0.7
275.20157	16.6
276.20459	0.8
287.07764	1.4
291.19635	2.0
293.21213	41.0
294.21484	1.8
305.04160	0.4
305.08603	2.2
321.20825	0.6
323.09833	0.9
327.21729	3.4
341.23288	100.0
342.23633	4.2
379.12778	0.5
386.69452	0.4
391.38132	0.4
397.13474	66.1
398.13800	2.2
415.14539	29.3
416.14880	0.6
569.24207	2.1
673.34546	4.0
691.35419	12.1
715.50696	0.6
848.73566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02944	0.5
80.02668	0.7
81.03481	0.4
83.05014	1.0
84.02171	0.3
85.02969	0.8
87.00905	0.3
87.04526	0.6
89.02441	0.8
93.03456	0.5
93.07060	0.2
95.05023	0.5
96.96027	1.2
97.02940	0.5
97.06586	1.7
98.03742	0.3
98.20732	0.4
101.02438	1.2
109.02967	0.3
109.06586	1.1
110.03739	0.4
111.04527	0.2
111.07386	0.3
111.08159	7.3
113.02450	0.7
113.09787	0.2
119.03507	0.3
123.04488	0.4
123.08168	1.5
125.02444	0.3
125.06072	0.6
125.09727	12.9
127.11293	5.2
135.04532	0.6
135.08133	1.0
137.09723	4.9
139.11287	0.9
141.09219	1.6
141.12891	0.2
142.02713	0.2
143.03514	0.3
143.10812	0.2
147.08212	0.2
149.09711	0.4
151.07654	0.5
151.11290	2.8
153.09218	2.7
155.10799	2.3
157.12344	0.4
161.04597	0.2
161.09641	0.2
163.11340	0.5
164.08441	1.5
165.09224	2.0
165.12868	0.2
167.10803	0.7
169.08736	0.5
169.12355	0.8
171.10275	7.6
177.09203	0.5
177.12851	0.4
179.05568	0.2
181.12337	0.3
183.10223	0.7
183.13924	0.4
185.11801	0.4
189.09171	0.2
191.05630	0.9
191.14371	0.5
193.12271	0.2
195.10251	2.7
197.11806	1.6
199.07858	0.3
199.09726	1.6
199.13400	0.8
201.11320	35.9
202.11700	0.8
207.10362	0.3
209.11806	1.5
211.13388	1.8
213.11320	25.2
214.11668	0.5
225.11308	0.2
227.12897	1.2
233.11563	0.2
235.08247	0.3
237.11482	0.3
237.14899	1.2
245.19092	2.2
250.11995	0.9
255.15991	0.7
256.13126	0.3
263.20181	0.6
271.17081	0.6
279.19714	0.4
281.20895	0.1
289.18103	13.7
290.18332	0.5
307.19141	25.9
308.19498	0.7
309.20728	0.3
311.41498	0.2
312.22998	0.1
325.20184	100.0
326.20560	3.3
383.89917	0.2
397.13486	3.2
397.18463	0.3
399.23691	0.2
415.14542	2.2
441.24991	0.6
607.26166	0.5
687.31976	0.3
705.32965	0.9
724.45044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	33.3
71.56149	1.3
72.99301	1.2
73.02940	5.9
77.22474	0.7
79.15415	0.7
79.61970	0.7
81.03446	2.3
83.01400	2.6
83.05016	3.2
85.02950	3.6
87.00877	4.2
89.02439	17.9
93.03461	0.8
95.01379	2.0
97.02945	9.4
97.06583	2.3
99.00870	1.7
101.02430	17.7
107.05021	1.2
109.02985	0.9
109.06582	23.6
110.03752	1.2
113.02450	8.0
116.07190	1.0
119.03493	4.7
121.06633	1.7
125.02447	9.4
125.06104	1.4
125.09679	2.2
127.11304	1.5
135.08141	5.4
136.05283	1.1
137.09705	2.3
139.04108	0.8
142.02715	2.9
143.03461	3.2
155.10768	1.5
161.04559	5.0
161.09691	1.0
163.11285	11.2
171.10257	7.5
179.05521	4.4
179.10727	1.0
181.12350	5.3
183.13907	1.1
185.11800	1.7
199.09737	23.7
207.10243	33.7
208.10658	1.2
209.11903	1.4
211.13370	2.8
218.01862	0.8
221.06694	1.9
223.41946	0.8
225.11298	12.9
226.12234	0.9
235.08185	8.3
243.12489	1.8
253.09134	2.6
277.21710	57.1
278.22110	3.1
287.07672	3.7
305.08813	3.3
311.22253	3.4
372.03116	0.9
397.13477	100.0
398.13889	4.0
415.14523	30.6
416.14767	1.6
521.89209	1.1
675.35840	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	1011.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56136	0.5
78.62319	0.4
78.95902	25.0
91.72367	0.5
93.18796	0.5
96.96957	1.8
117.13313	0.5
152.99591	37.7
171.00645	8.7
175.57780	0.6
227.03296	3.1
245.04306	44.6
253.21712	20.4
253.24443	0.7
254.22090	0.7
326.52567	0.5
467.45865	0.6
481.25720	100.0
482.26089	6.1
507.26999	0.6
984.27466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.8
67.05511	59.6
68.82124	1.4
69.03419	4.5
69.07072	16.5
71.04982	3.7
71.57124	2.3
73.02914	2.5
79.05061	2.8
79.05499	44.6
81.03426	85.2
81.07061	63.6
83.04980	4.9
83.08626	23.9
85.02907	7.8
85.06561	2.1
91.03949	4.9
91.05484	39.5
93.07051	50.6
95.04977	31.4
95.08612	49.1
97.02881	5.6
97.06512	5.7
97.10162	8.4
105.04494	2.3
105.06389	2.4
105.07037	30.0
107.04976	8.4
107.08595	27.7
109.06506	4.7
109.10167	22.0
111.04440	2.1
111.08098	7.5
115.05457	1.9
117.07019	8.4
119.08601	23.5
121.06510	3.5
121.10143	25.2
123.04411	2.9
123.08051	4.8
123.11709	6.3
125.09675	7.8
125.74002	1.4
127.03867	2.3
129.07037	11.1
131.08562	19.6
133.06459	3.8
133.10158	15.5
135.08098	2.1
135.11705	14.1
137.09639	2.6
137.13235	1.5
142.07785	3.8
143.08536	4.0
145.04958	3.6
145.06413	1.8
145.10133	10.9
147.04362	1.5
147.08060	4.5
147.11745	11.7
149.09612	5.5
149.13330	7.6
157.10103	10.3
159.11700	7.7
161.13263	7.1
163.06007	5.1
163.11209	3.6
163.14832	3.4
171.11658	2.5
173.13254	7.4
175.11264	7.6
175.14845	4.0
177.12773	1.9
183.11703	3.0
185.13277	2.8
187.14847	3.0
189.11212	4.6
193.12242	25.7
201.16357	1.7
211.13257	3.1
215.17839	1.9
227.12839	8.4
233.15488	1.9
235.13158	2.2
243.21147	5.1
249.14845	3.0
261.22168	23.1
264.39206	1.6
267.15936	95.2
275.60208	1.6
279.23181	2.9
301.14456	2.1
301.25256	4.0
309.16919	5.3
311.25861	8.1
313.27307	2.6
317.24719	4.1
335.25833	100.0
407.23892	1.8
421.25897	3.7
435.27206	2.3
435.32553	3.8
453.33682	9.7
471.34442	3.2
489.06073	1.7
509.36652	2.9
527.37378	73.8
545.38422	85.0
559.40039	2.2
569.38171	12.9
577.40564	2.5
587.39368	1.8
611.39362	2.5
623.39215	3.0
635.39404	6.2
653.40460	3.0
671.41516	3.2
924.15228	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	933.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36042	0.2
67.05506	5.5
67.50063	0.2
69.06726	0.3
69.07072	4.6
71.04991	0.3
71.08634	13.7
71.57148	0.3
75.04469	0.5
79.05487	0.8
81.07063	7.5
83.04975	0.3
83.08623	5.5
85.06539	0.4
85.10186	8.4
85.52081	0.2
89.06022	1.2
91.05498	0.4
93.07053	1.1
95.08608	9.9
97.06516	0.4
97.10181	2.9
98.98473	4.5
99.08121	0.3
99.11736	0.3
103.07565	0.9
105.07057	0.3
107.08582	0.5
109.09463	0.3
109.10164	5.0
109.10910	0.2
111.08094	0.3
111.11712	0.7
113.00011	1.9
119.08563	0.2
121.10143	0.7
123.11713	1.9
125.13300	0.2
131.10608	0.3
133.10126	0.3
135.11699	0.5
137.13242	0.6
138.23022	0.2
151.14807	0.2
155.01062	2.0
169.02608	2.1
173.02109	0.4
239.23730	1.0
243.70218	0.2
247.05803	0.5
250.63095	0.2
257.24783	2.0
298.27252	0.3
311.25870	1.4
312.26187	0.8
313.27368	100.0
314.27774	1.1
337.27396	5.8
380.44110	0.2
393.23978	0.6
448.25449	0.5
449.26624	2.5
509.50397	0.2
690.12811	0.2
933.45795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.5
69.07067	17.4
71.04991	0.2
71.08631	5.0
71.57430	0.2
75.04488	0.3
79.05489	2.6
81.03407	0.2
81.07056	5.7
83.04982	0.4
83.08617	16.9
85.06559	0.2
85.10177	1.8
91.05474	0.7
93.07047	3.4
95.04949	0.3
95.07983	0.2
95.08604	4.1
97.06544	1.9
97.10168	12.9
97.19343	0.1
98.98463	5.6
99.08099	0.2
101.05991	0.3
105.07054	0.4
107.08593	2.3
109.10161	1.6
110.54585	0.1
111.08071	1.1
111.10951	0.2
111.11714	3.4
113.00024	2.5
115.07574	0.2
117.06996	0.2
119.08601	0.4
121.10141	3.2
121.27392	0.1
123.11715	0.8
125.09644	0.7
125.13265	0.5
133.10150	0.4
135.11676	2.1
137.00034	0.2
137.13272	0.4
139.11188	0.6
139.14845	0.2
149.13300	1.1
153.12724	0.3
155.01053	2.9
155.02341	0.1
159.57130	0.1
163.14813	0.6
167.14291	0.2
169.02608	1.6
173.02092	0.6
187.03810	0.2
219.21121	0.7
229.04723	0.2
237.22131	0.8
239.51088	0.1
243.21150	0.2
247.05798	0.6
261.22055	0.6
266.38040	0.1
277.65848	0.2
311.25787	100.0
312.26154	1.1
335.25797	6.5
391.22324	0.4
407.82764	0.2
447.25049	5.3
465.25955	0.2
850.57678	0.2
863.14624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.3
69.07070	16.9
71.01210	0.2
71.04986	0.3
71.08636	4.4
73.02924	0.2
75.04462	0.2
79.05492	2.6
81.03436	0.1
81.07059	5.5
83.04991	0.4
83.08620	16.8
85.06562	0.2
85.10188	2.0
91.05489	0.8
93.07043	3.1
95.05000	0.2
95.08608	4.5
97.06532	1.6
97.10172	11.8
98.98469	5.9
98.99119	0.3
99.08111	0.1
101.06060	0.2
105.07023	0.4
107.08588	2.3
109.10152	1.9
109.10830	0.2
111.08102	0.9
111.11714	3.3
111.12429	0.2
113.00021	2.0
117.06995	0.2
119.08598	0.5
121.10149	3.1
123.11726	0.7
125.09648	0.4
125.13237	0.7
131.08572	0.3
131.16232	0.1
133.10162	0.3
135.11694	1.8
137.00011	0.2
137.13281	0.3
139.11240	0.3
145.10123	0.1
149.13266	1.0
153.12715	0.3
155.01041	2.4
159.11652	0.1
163.14816	0.5
167.14346	0.1
169.02647	1.2
173.02112	0.8
177.16423	0.2
182.29977	0.1
194.12553	0.1
219.21135	0.4
229.04761	0.4
237.22139	0.5
247.05681	0.6
261.22031	0.6
311.25800	100.0
312.26114	0.8
335.25809	6.6
335.29822	0.3
391.22333	0.2
447.25101	4.6
465.25626	0.2
491.48935	0.1
893.49176	0.1
907.31866	0.1
929.48865	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	925.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01839	0.2
67.05507	0.8
68.99805	0.2
69.03423	0.3
69.07058	0.2
70.06561	0.3
71.04942	0.2
71.56989	0.1
79.05491	0.9
81.03423	7.8
81.07050	0.8
83.04966	0.3
83.08628	1.9
85.02879	0.3
86.09653	0.2
91.05489	1.1
91.69175	0.2
93.07024	0.5
95.04465	0.2
95.04980	2.4
97.02880	0.3
97.06522	0.2
97.10134	0.1
105.07031	0.8
107.04938	0.7
107.08588	0.3
109.02819	0.2
109.06533	0.2
111.04408	0.2
111.08060	0.8
115.05433	0.2
119.04937	0.9
119.08588	0.9
121.02835	0.4
121.06547	0.2
121.10106	0.6
129.07018	0.9
131.00136	0.1
131.08574	0.7
133.06487	0.3
133.10121	0.4
142.07764	0.3
145.02827	0.4
147.08018	0.3
147.11707	0.7
149.09561	0.5
153.01830	2.4
157.10156	1.0
163.03912	0.3
163.11104	0.2
171.02905	0.3
175.11194	1.3
193.12259	5.6
207.13814	0.2
211.13368	0.7
225.05446	0.2
235.13187	0.2
267.15933	3.8
271.06024	100.0
272.06354	1.1
283.06122	0.2
285.16992	5.4
297.07779	0.3
309.17007	0.6
363.18008	0.3
429.21448	0.2
447.09271	25.3
448.09311	0.2
537.21729	0.1
543.32837	0.2
882.27411	0.2
925.46698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.8
65.06974	0.7
67.05508	12.4
69.03429	1.6
69.07066	5.3
71.05013	1.0
71.08633	17.2
71.09009	1.4
73.02908	1.2
79.05499	7.1
79.85033	0.7
81.03415	51.1
81.07055	13.9
83.04978	3.1
83.08618	16.9
85.02887	3.5
85.06532	1.1
85.10185	12.5
89.06056	1.3
91.03974	2.7
91.05475	8.3
93.07040	5.8
95.04966	14.9
95.08607	15.3
95.09169	1.2
97.02861	4.2
97.06527	1.2
97.10176	4.6
98.20679	1.3
103.07583	0.9
105.07039	7.5
107.04965	3.7
107.08575	3.1
109.06519	2.3
109.10154	7.2
111.08080	4.3
117.25352	0.9
118.23446	0.7
119.04990	0.9
119.08583	8.0
121.06478	1.2
121.10155	3.4
123.04424	1.3
123.08099	1.3
123.11726	3.3
127.03971	1.2
129.07001	5.6
131.08565	4.4
133.06511	1.6
133.10132	2.5
135.08015	1.2
137.09648	0.9
138.06555	0.7
142.07828	1.4
145.04961	1.2
145.10103	1.4
147.08105	0.9
147.11702	4.4
149.09639	3.8
157.10132	7.7
163.06082	2.4
165.12723	1.6
175.11180	6.3
193.12234	24.1
208.61086	0.8
211.13277	1.3
229.65666	1.1
235.13240	1.4
239.23689	1.0
249.15012	1.1
257.24734	2.0
259.13373	1.6
267.15921	100.0
273.14908	1.2
301.14380	1.5
309.16943	2.7
310.68903	0.8
313.27356	98.0
393.19235	1.4
497.66397	1.0
505.38889	77.6
506.39157	1.2
523.39764	3.1
547.39911	6.3
565.40778	1.9
589.40973	1.1
601.40741	2.5
613.40118	1.9
631.42212	1.8
649.43036	1.8
693.01782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91287	0.1
67.05475	0.3
69.07040	0.2
71.57166	0.2
71.95224	0.5
72.96001	0.2
73.61955	0.1
79.05450	0.3
81.03406	0.2
81.07005	0.3
84.96033	10.1
93.06995	0.4
95.08559	0.3
97.96786	0.3
98.97585	9.5
100.99130	0.2
102.97063	1.0
105.63049	0.1
110.96854	0.2
110.97562	2.2
112.99146	1.0
115.00682	0.2
116.69420	0.1
116.98623	3.8
120.98068	0.2
124.99112	4.2
125.98573	0.3
126.97021	0.4
128.98610	2.7
131.00175	1.8
134.99652	0.7
136.92159	0.2
136.99028	0.5
139.00664	0.7
140.00154	0.7
140.98599	3.0
143.00168	9.4
144.98100	4.7
146.99667	1.5
149.01210	2.5
152.00157	0.2
154.01779	0.2
154.93153	0.5
154.98962	0.2
155.00156	1.9
157.01746	0.8
158.01241	0.2
158.99678	1.8
161.01215	5.8
162.93724	0.4
162.99155	2.6
164.98584	0.7
165.00713	0.1
166.01738	1.2
167.00105	0.2
167.02255	0.5
170.01276	0.2
170.99640	0.3
172.02785	0.3
172.94218	0.6
173.01227	2.2
175.02780	0.3
177.00705	0.4
177.09109	0.1
178.01808	0.2
179.02296	0.4
180.03326	0.2
180.94789	1.8
181.00264	0.2
182.01321	0.2
182.98055	0.3
182.99664	5.6
184.02827	0.9
185.01170	0.5
186.00766	0.8
187.02766	0.2
189.00768	0.2
190.95264	0.4
191.02286	0.8
194.96239	0.2
196.02757	0.3
198.94077	0.1
198.95848	2.4
201.00714	6.3
203.02289	0.8
203.96481	0.3
204.94693	0.1
205.03633	0.2
206.01221	0.3
206.96364	0.3
207.21725	0.1
210.95886	0.4
212.97392	0.4
214.95374	0.3
216.96822	0.4
217.03812	0.6
219.01833	1.5
221.97452	0.2
222.95789	1.1
224.02377	0.9
224.97418	1.2
226.03624	0.1
228.96896	1.3
233.03108	0.2
235.04961	0.2
236.97386	0.4
239.09425	0.2
240.96916	2.8
242.03391	0.2
242.98523	1.1
245.10490	0.2
245.97150	0.2
246.95816	2.9
246.97983	1.0
247.98907	0.1
251.45505	0.1
254.98483	0.6
258.97928	0.9
260.99539	0.3
263.98468	0.3
264.96909	10.1
268.99997	0.2
269.97363	0.3
279.12677	0.3
282.97955	15.9
284.99365	0.2
287.98505	1.2
289.10312	0.2
296.99567	1.2
300.95520	0.3
300.99002	8.0
305.99594	2.4
317.17877	22.6
318.18338	0.3
319.00201	0.2
319.19400	0.3
324.00607	0.8
333.17245	0.3
334.18027	0.2
335.18918	4.8
335.25296	0.2
339.00507	0.3
357.01596	2.7
358.20572	2.9
375.02673	2.4
391.21445	0.9
398.04416	0.6
419.76175	0.2
489.18073	0.2
557.20807	0.4
599.21893	0.4
617.23016	100.0
618.23254	1.9
911.48077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.2
67.01833	0.2
67.05505	3.0
68.99763	0.2
69.03437	0.8
69.07027	0.5
70.06555	0.4
71.57441	0.2
73.02923	0.9
81.07056	1.8
83.04957	0.1
83.08580	0.2
84.08092	0.2
85.02908	2.1
86.09637	0.2
91.03963	0.9
91.05470	0.8
93.07008	0.5
95.01286	0.2
95.04920	0.2
95.08565	0.4
97.02907	1.5
103.05463	0.3
103.76325	0.2
105.06996	0.5
107.08532	0.2
109.10144	0.9
111.00784	0.3
113.02369	0.2
118.72382	0.2
119.08540	0.3
120.08051	0.2
123.07977	0.2
127.03866	0.5
131.03371	0.3
131.04910	0.2
133.10156	0.2
137.05861	0.2
139.03854	0.5
141.01793	0.2
143.32019	0.1
145.04918	0.2
147.04385	0.4
153.01831	15.9
154.02167	0.2
155.08546	0.2
157.06464	0.3
165.01796	0.2
165.07008	0.2
169.06448	0.4
171.02974	0.3
171.04369	0.8
172.05310	0.2
173.05905	0.5
175.03813	0.1
181.06421	0.3
183.04411	0.3
183.08002	0.2
184.05099	0.2
185.06012	1.3
187.03922	0.5
193.06430	0.3
195.02867	0.2
197.05977	2.2
198.06711	0.4
199.03851	0.3
199.07513	0.5
205.06573	0.2
207.08229	0.2
209.06018	0.4
209.07918	0.3
210.06577	0.2
211.03893	0.3
211.07512	1.1
213.05499	0.3
221.05975	0.3
223.07642	0.2
225.05322	0.2
225.09160	0.3
227.07031	0.2
229.04803	0.2
233.06053	0.2
237.05469	0.6
239.03326	0.3
239.07059	0.6
241.04774	0.3
243.06238	0.2
249.05283	0.2
251.07146	0.3
253.04909	0.8
257.04379	0.6
258.05276	0.4
265.04971	1.4
266.05685	0.5
267.06525	1.4
269.04501	0.2
271.05753	0.2
275.07010	0.9
277.05023	0.2
279.06464	0.7
281.04535	1.1
281.15305	0.4
282.05179	0.7
283.05939	0.3
286.04688	1.1
287.05273	0.2
293.04364	0.5
293.07977	0.3
294.05194	0.8
295.06021	6.1
297.03955	2.1
298.04486	0.7
299.05478	0.5
303.06534	7.9
304.07034	0.2
305.08298	0.2
306.05154	0.4
307.06079	1.1
309.03928	0.3
309.07382	0.3
310.04593	0.4
311.05533	4.2
313.03375	0.2
317.08151	0.2
319.06067	0.5
321.03918	2.6
321.07596	3.0
322.04666	0.9
323.05511	22.2
324.06268	2.6
325.07047	0.9
327.04999	0.4
331.06009	10.6
332.06793	1.0
333.07712	0.4
334.04739	1.2
335.05533	2.0
335.09122	0.3
336.06012	0.2
337.07013	3.0
345.07581	0.4
348.06198	0.4
349.07065	9.3
350.07849	13.0
351.08603	1.2
358.08273	0.2
361.07047	0.6
363.08701	2.1
365.10342	0.2
375.08865	0.4
377.10178	0.4
391.11731	0.2
425.13782	0.2
433.16492	22.1
434.16794	0.4
435.14719	0.2
443.14969	0.6
445.16870	0.2
451.17667	1.1
461.15958	100.0
462.16306	2.0
479.17023	13.5
480.17734	0.3
485.16293	0.3
497.18250	0.9
499.17361	0.2
517.18805	0.5
535.19653	22.0
536.19781	0.4
553.20703	24.5
554.20911	0.5
571.21729	3.9
582.06665	0.2
609.19904	0.2
619.20020	0.2
623.21521	0.2
637.19177	3.5
655.20264	5.7
661.24677	0.2
673.21490	0.5
679.23749	0.2
693.21893	0.4
697.24750	0.4
711.22827	12.6
712.22974	0.3
729.23883	34.6
730.24365	0.8
742.06531	0.2
747.24933	7.2
748.25928	0.2
774.52905	0.2
891.28687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.0
67.05504	31.2
69.03439	1.2
69.07066	9.6
69.24772	1.1
69.25102	7.6
71.04970	1.5
73.02901	1.1
79.05492	30.2
81.03394	1.8
81.07056	37.0
83.04979	2.5
83.08620	7.2
85.02898	3.3
88.60279	0.8
91.03936	1.8
91.05477	12.6
93.07043	41.8
95.04978	4.8
95.08607	45.8
97.02887	4.0
97.06530	2.8
97.10178	2.3
98.21499	1.7
99.04484	2.1
105.04531	1.0
105.07033	8.3
106.97339	0.9
107.04977	5.0
107.08595	28.4
109.06547	1.5
109.10153	11.4
111.08099	1.7
113.06033	0.9
117.06994	6.8
119.08578	10.8
121.06496	3.6
121.10135	17.3
123.11728	4.0
125.06007	1.9
130.07744	1.1
131.08574	3.9
133.10135	6.0
134.45830	0.8
135.08054	1.6
135.11694	42.6
139.07564	0.9
145.10121	22.6
147.11664	2.6
149.13223	2.4
153.12805	1.0
159.11685	2.4
161.13260	1.7
163.11189	47.9
163.14838	1.9
173.13281	2.0
173.24637	0.9
177.16434	1.1
181.12209	7.2
227.12782	46.0
243.21106	1.9
261.22134	8.5
266.38477	0.8
283.15405	56.3
317.24731	1.8
335.25806	100.0
344.19312	1.1
360.74152	0.9
513.67004	1.0
543.36823	99.1
544.36682	1.8
561.37750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.1
67.05506	25.3
69.06720	0.4
69.07070	5.4
69.37969	0.4
69.38382	1.4
71.04984	0.5
71.08625	0.3
79.05494	13.5
81.03428	0.4
81.07057	25.0
83.04987	0.7
83.08617	2.9
85.06557	0.6
91.05481	6.3
93.07044	16.2
95.04983	1.1
95.08607	19.4
97.06554	1.3
97.10163	0.8
98.21516	0.4
99.08094	0.5
102.64915	0.2
103.05482	0.2
105.04510	0.4
105.07032	4.5
107.08599	8.8
109.06544	0.6
109.10162	7.7
111.08064	0.6
111.11684	0.2
113.00020	26.4
113.09682	0.3
117.07018	1.4
119.08584	3.9
119.09363	0.3
121.10146	7.0
123.08084	0.4
123.11716	2.9
129.05513	0.3
131.01057	0.2
131.08578	2.8
133.10127	3.0
135.08072	0.2
135.11694	4.2
137.09598	0.4
137.13260	0.9
145.10123	1.9
147.11679	1.9
149.09596	0.3
149.13258	2.3
151.11279	0.2
151.14828	0.2
159.11697	1.7
161.13274	1.7
163.11156	0.2
163.14842	1.6
169.02611	14.1
169.11824	0.2
173.13257	1.4
175.14842	0.5
177.12747	0.3
177.16394	0.6
187.03677	3.4
187.14847	0.7
219.20985	0.3
233.22757	0.4
243.21100	2.7
261.22147	6.4
279.23193	0.2
311.25568	0.2
317.24774	1.6
335.25797	100.0
336.26080	1.3
388.52469	0.2
391.67474	0.2
429.24225	0.3
616.37622	0.2
723.18658	0.2
871.62860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.6
69.07067	5.0
70.61105	0.2
70.86507	0.2
70.86826	0.3
71.08633	6.3
73.06090	0.2
74.36691	0.2
79.05492	0.5
81.07050	2.7
82.11404	0.2
83.08616	5.3
85.09717	0.3
85.10183	3.7
87.93338	0.2
89.06021	0.6
93.07050	0.6
95.08604	3.8
97.06507	0.4
97.10171	3.6
103.07606	0.3
105.07078	0.2
107.08565	0.4
109.10153	1.7
111.11719	0.6
113.70925	0.2
121.10137	0.3
123.11709	0.7
125.13226	0.3
134.98186	29.2
135.11720	0.2
137.13263	0.3
152.99225	0.2
176.00827	0.8
176.99260	0.6
209.01901	2.0
227.01712	0.2
232.94695	0.2
239.23793	0.3
250.95749	0.3
257.24734	0.8
264.97232	1.5
266.97021	0.2
268.96790	0.2
282.98358	1.1
287.99011	0.3
306.00021	0.3
311.25778	6.9
312.26080	0.6
313.27350	7.0
320.99844	0.6
333.23950	0.7
335.25571	0.6
339.00830	0.2
345.17810	0.2
351.25040	1.9
413.20676	0.8
427.22110	1.1
445.23267	100.0
446.23605	6.7
446.29892	0.2
447.24759	41.3
448.25043	0.5
505.23364	0.2
516.79120	0.2
837.44086	0.2
869.47272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.6
69.03424	0.2
69.07070	11.5
69.54102	0.4
69.54523	0.7
71.04967	0.2
71.08635	3.0
72.38918	0.2
79.05488	1.0
81.07056	2.5
83.04973	0.3
83.08623	11.1
85.10188	1.3
88.94536	0.1
93.07057	1.3
95.08618	1.8
97.06543	1.1
97.10175	7.9
101.06013	0.2
106.69474	0.1
107.08623	1.1
109.10172	0.7
111.08069	0.6
111.11718	2.2
121.10144	1.3
123.11723	0.5
125.09631	0.5
125.13291	0.4
130.01225	0.2
131.13672	0.2
134.98192	39.2
135.11714	1.1
139.11215	0.3
149.13243	0.5
152.99318	0.3
163.14842	0.3
170.99054	0.3
176.00877	1.1
177.16357	0.2
209.01888	0.5
219.21022	0.3
227.01541	0.2
232.94734	0.2
250.95717	0.6
264.97229	2.0
268.96832	0.3
282.98273	1.5
287.98828	0.2
305.99664	0.2
306.98383	0.2
311.25815	10.7
317.68213	0.2
320.96619	0.2
320.99725	0.9
333.24023	3.5
351.25189	0.3
359.01221	0.2
414.59497	0.2
427.21902	0.3
445.23279	100.0
446.23590	1.2
459.34921	0.2
486.25186	0.2
539.20276	0.5
557.21106	0.4
595.22876	0.5
636.09381	0.2
671.88885	0.2
867.44666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	2.7
67.05508	5.9
69.03430	2.8
69.07076	2.6
70.61488	0.8
71.04991	0.7
73.02921	3.4
79.05509	4.1
81.03407	2.2
81.07063	6.3
83.05004	1.1
83.08622	0.8
85.02904	3.4
91.03983	1.8
91.05478	3.5
93.07056	3.9
95.05000	1.3
95.08607	3.2
97.02895	3.8
97.06567	0.7
99.04461	0.8
101.02411	1.7
105.07044	2.3
107.04994	0.4
107.08598	2.4
109.06551	0.5
109.10170	1.0
111.08118	0.6
117.07084	0.7
119.08601	1.9
121.06514	0.5
121.10185	0.9
123.08105	0.5
127.03931	1.6
129.06996	0.8
131.08607	1.0
133.10162	1.1
135.11743	1.5
136.06192	10.2
137.06586	0.8
138.07964	0.4
142.19586	0.4
145.10126	0.9
147.11723	0.8
157.10202	0.5
185.04326	0.6
227.41643	0.4
243.08459	3.2
256.05487	0.4
301.08682	0.5
303.19495	0.6
333.20370	3.3
340.59634	0.4
389.23242	0.9
439.19409	2.6
453.20822	2.2
457.50580	0.4
469.20758	0.7
551.28271	12.0
551.36243	0.8
597.81274	0.5
617.71570	0.5
623.30475	0.6
699.45306	0.7
843.49078	0.5
861.49707	100.0
862.49713	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	861.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27887	0.4
62.76603	0.4
67.05499	0.5
69.38323	3.0
79.05485	0.6
81.07085	0.7
85.02890	0.5
91.05485	0.6
91.51445	0.4
95.08603	0.6
105.06978	0.4
109.02853	0.5
111.29150	0.4
114.25616	0.4
119.01980	0.6
120.90609	0.4
141.48950	0.4
143.01875	0.5
145.03392	0.4
155.01976	0.5
185.04253	0.9
203.05353	1.0
225.16238	0.5
250.62500	0.4
255.69374	0.4
259.08115	1.3
275.07593	0.8
276.08383	0.4
301.20218	2.1
347.09521	7.4
365.10580	2.5
407.11560	1.0
437.12787	0.8
441.19113	0.4
451.14365	0.5
467.13757	1.5
479.41617	0.5
509.14813	2.6
527.15851	3.6
537.30353	18.2
583.18597	1.6
673.34558	0.6
699.35394	3.2
727.35693	0.6
861.40875	100.0
862.41553	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.2
65.03936	4.8
67.05508	82.2
68.60786	1.6
69.03423	11.5
69.06718	3.4
69.07075	42.7
69.73605	11.1
71.04984	7.6
73.02895	2.6
79.05498	68.0
81.03417	15.8
81.07063	100.0
83.04980	18.8
83.08615	17.2
85.02896	7.3
85.06544	5.1
91.05484	62.7
93.07048	75.7
95.04978	15.6
95.08614	47.6
95.09058	1.2
97.02876	6.7
97.06541	22.2
97.10174	13.0
98.21414	2.9
99.04449	3.5
99.08105	3.6
105.04513	3.1
105.06384	3.6
105.07040	48.5
107.04961	11.4
107.07874	2.3
107.08602	41.9
109.02852	5.2
109.06541	9.4
109.10156	18.8
111.04381	2.5
111.08067	7.0
112.04431	2.1
113.00016	4.7
113.09630	1.9
115.05458	2.8
117.07016	22.5
119.08594	36.9
121.06532	4.3
121.10160	24.9
123.08091	7.0
123.11730	5.7
125.09635	10.6
127.03913	5.2
129.05504	2.4
129.07021	11.8
131.08574	28.0
133.06544	3.0
133.10127	34.0
135.08057	6.8
135.11707	24.0
137.09595	5.1
141.06950	3.9
143.08559	8.4
145.06396	1.8
145.10121	24.2
147.04381	1.9
147.08067	3.2
147.11690	15.8
149.09637	19.0
149.13280	16.4
151.11232	3.8
155.08543	5.0
157.10141	10.5
159.11707	22.2
161.09630	3.6
161.13272	6.7
163.11185	13.8
169.02612	3.4
169.10141	7.3
171.11685	7.5
173.04468	2.8
173.11888	1.9
173.13272	7.2
175.11227	3.4
177.12764	8.5
179.14334	5.6
181.12186	3.2
183.11752	5.1
185.13184	3.3
187.14833	3.0
189.11137	3.6
189.12720	2.1
191.14325	2.6
195.11775	2.8
195.13818	6.5
197.13274	4.3
199.14799	2.7
201.12706	2.0
201.16360	2.3
211.14886	2.9
215.17944	2.5
227.12729	9.3
229.14278	2.0
229.19554	3.2
239.17978	2.8
245.13812	2.0
247.20569	4.7
253.14359	2.5
253.17973	2.3
255.15852	16.5
257.19016	15.6
267.15924	3.4
269.17502	44.7
275.20081	51.8
291.19647	3.2
293.21094	3.5
297.24234	3.6
331.22733	5.3
333.24237	1.9
335.25888	5.1
336.26019	3.9
349.23767	53.2
367.24725	7.9
413.21521	2.9
421.80728	1.9
423.27191	3.1
427.28372	2.0
431.27704	3.1
435.26639	2.2
445.29202	3.4
449.29059	23.2
451.32111	2.6
452.19095	2.0
463.30591	24.4
525.35413	7.4
529.35559	11.5
543.29431	2.6
543.36847	43.8
561.37744	7.3
623.43445	11.7
641.44080	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	856.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	51.1
65.03933	2.1
67.05506	54.8
69.03136	0.6
69.03432	7.0
69.07068	8.1
69.67808	1.2
69.68211	2.9
71.01335	0.7
71.04980	2.7
71.08631	1.1
72.47518	0.7
73.02506	0.8
73.02918	19.0
79.05495	31.5
81.03423	3.4
81.07060	61.0
83.04984	1.7
83.08632	6.3
85.02908	67.1
85.06536	2.2
87.04463	0.9
91.03960	61.4
91.05477	15.9
93.07048	37.2
95.04954	1.9
95.08610	53.1
97.02896	34.8
97.06526	3.3
97.10143	3.3
98.21382	1.2
99.04481	4.1
99.08080	1.5
101.02357	0.8
103.03928	2.7
105.07035	11.8
107.08598	27.5
107.82614	0.6
109.02876	2.3
109.06536	1.1
109.10165	29.0
111.08075	1.9
113.09669	1.1
115.03944	4.9
117.05503	0.8
117.07020	6.3
119.08585	12.4
121.10152	27.4
123.08050	1.4
123.11715	16.4
125.09633	1.8
127.03919	26.4
127.11176	0.8
131.08574	15.7
133.10136	12.0
135.11700	24.7
136.73843	0.6
137.09605	2.2
137.13249	6.7
139.11165	1.2
145.04968	35.5
145.10129	14.4
147.11684	9.5
149.13264	18.0
151.11165	2.0
151.14821	1.8
153.12769	1.2
159.11691	12.6
161.13263	10.5
163.06023	84.7
163.11169	1.3
163.14818	14.5
165.12746	2.5
173.13283	12.8
175.14857	3.5
177.12785	1.7
177.16386	5.7
179.14427	3.2
187.14836	8.3
189.16393	1.1
191.14305	1.6
195.13979	0.8
201.16344	3.2
205.15906	1.9
215.17964	1.6
219.17468	0.9
227.16428	0.8
231.15950	0.6
233.22722	2.8
243.18541	0.7
243.21086	34.4
261.22153	100.0
262.22568	1.4
263.23788	3.0
279.23175	5.3
297.20554	1.0
314.37741	0.6
317.24567	1.3
325.11325	6.0
335.25809	37.4
336.25897	0.7
353.26871	94.0
354.27295	1.4
369.23776	0.8
405.26291	0.9
424.45547	0.6
461.28879	1.1
479.30292	1.3
497.31055	10.0
659.36218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.5
69.06714	0.3
69.07068	3.8
71.04986	0.2
71.08630	14.6
71.26743	0.2
71.27088	0.4
75.04491	0.2
75.45077	0.2
79.05479	0.3
81.07055	6.0
83.04976	0.3
83.08617	4.3
85.06542	0.4
85.10181	7.9
89.06030	1.1
93.07059	0.3
95.08606	8.9
97.06532	0.3
97.10177	2.7
99.08073	0.3
99.11734	0.5
103.07568	0.7
107.08559	0.3
109.10150	4.6
111.11710	0.6
113.00018	18.1
117.09094	0.4
121.10147	0.5
123.11723	1.9
125.13247	0.2
135.11661	0.2
137.13239	0.7
151.14868	0.2
154.02716	0.3
157.88591	0.2
159.13818	0.3
162.62021	0.2
165.16377	0.2
169.02609	22.7
187.03731	1.0
239.23782	1.0
257.24734	2.0
298.27237	0.3
313.27353	100.0
314.27756	1.6
407.25562	6.5
425.28107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.5
60.09451	0.9
61.02929	11.5
65.03935	2.9
67.05507	100.0
69.03423	2.5
69.07070	9.3
71.04981	3.4
71.57749	1.0
73.02910	3.8
79.05068	1.5
79.05495	21.4
81.03403	1.8
81.07059	44.3
83.08614	8.3
85.02902	12.2
85.06559	2.6
91.03953	7.9
91.05482	16.3
93.06474	1.7
93.07043	27.8
95.04966	2.2
95.08607	30.3
97.02889	8.2
97.06532	2.1
97.10146	2.8
99.08105	1.0
101.02432	1.2
105.07033	7.8
107.08601	17.1
109.06565	1.6
109.10159	72.7
111.08065	3.0
117.07006	3.2
119.08595	11.4
121.10150	12.9
123.11707	3.5
125.09623	1.8
127.03926	2.8
131.08539	5.7
133.10126	6.6
135.11723	8.0
137.09625	3.3
145.04977	3.5
145.10139	5.4
147.11693	4.8
149.13268	5.6
155.10683	5.0
155.11821	0.9
159.11729	3.0
161.13268	2.6
163.06027	3.2
163.14787	2.5
173.11734	17.4
173.13263	4.1
177.16473	1.4
187.14894	2.2
227.12788	4.2
229.14360	77.5
230.14630	1.1
231.15901	0.9
243.21049	4.5
261.22147	17.0
313.26978	1.1
317.24796	2.8
335.25803	59.7
353.25494	1.0
397.30972	2.4
471.27594	0.9
471.34406	2.0
489.35782	65.0
490.35831	1.6
507.36978	6.5
527.03357	0.9
655.79791	1.1
731.55621	1.0
848.49939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.5
60.09451	0.9
61.02929	11.5
65.03935	2.9
67.05507	100.0
69.03423	2.5
69.07070	9.3
71.04981	3.4
71.57749	1.0
73.02910	3.8
79.05068	1.5
79.05495	21.4
81.03403	1.8
81.07059	44.3
83.08614	8.3
85.02902	12.2
85.06559	2.6
91.03953	7.9
91.05482	16.3
93.06474	1.7
93.07043	27.8
95.04966	2.2
95.08607	30.3
97.02889	8.2
97.06532	2.1
97.10146	2.8
99.08105	1.0
101.02432	1.2
105.07033	7.8
107.08601	17.1
109.06565	1.6
109.10159	72.7
111.08065	3.0
117.07006	3.2
119.08595	11.4
121.10150	12.9
123.11707	3.5
125.09623	1.8
127.03926	2.8
131.08539	5.7
133.10126	6.6
135.11723	8.0
137.09625	3.3
145.04977	3.5
145.10139	5.4
147.11693	4.8
149.13268	5.6
155.10683	5.0
155.11821	0.9
159.11729	3.0
161.13268	2.6
163.06027	3.2
163.14787	2.5
173.11734	17.4
173.13263	4.1
177.16473	1.4
187.14894	2.2
227.12788	4.2
229.14360	77.5
230.14630	1.1
231.15901	0.9
243.21049	4.5
261.22147	17.0
313.26978	1.1
317.24796	2.8
335.25803	59.7
353.25494	1.0
397.30972	2.4
471.27594	0.9
471.34406	2.0
489.35782	65.0
490.35831	1.6
507.36978	6.5
527.03357	0.9
655.79791	1.1
731.55621	1.0
848.49939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.8
64.74730	0.2
67.05183	0.3
67.05508	4.1
69.03420	1.0
69.07071	23.6
71.04983	0.5
71.08631	6.4
71.42848	0.3
73.02916	0.7
74.51742	0.2
75.04470	0.3
79.05078	0.2
79.05495	3.6
81.03413	0.5
81.07059	4.8
83.04964	0.5
83.08621	20.7
85.02900	0.7
85.06516	0.3
85.10181	2.5
85.48986	0.2
91.03949	0.6
91.05482	1.3
92.29129	0.2
93.07051	3.8
95.08607	3.7
97.02896	0.5
97.06529	2.6
97.10174	14.2
105.07027	0.7
107.08603	3.2
109.10162	1.3
111.08057	1.3
111.11716	3.9
113.00019	39.4
115.07594	0.2
117.07059	0.3
119.08548	0.6
121.10146	3.3
123.11697	1.0
125.09604	0.8
125.13287	0.8
127.03893	0.3
129.12811	0.3
131.08592	0.4
133.10112	0.5
135.11674	3.0
137.13231	0.6
139.01569	0.4
139.11182	0.5
147.11688	0.5
149.13266	1.2
153.12740	0.4
154.02660	0.5
163.14841	0.4
169.02617	37.9
177.16411	0.3
184.07297	0.6
187.03656	3.9
219.21150	1.1
237.22124	3.3
243.08458	0.8
311.25803	100.0
312.26111	1.3
315.10736	0.3
333.20523	0.5
381.38660	0.3
405.23987	8.1
439.19138	0.3
444.28970	0.3
454.70663	0.3
535.28778	1.1
551.28412	1.4
845.50208	22.4
846.50201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94120	4.0
65.03915	5.0
67.05507	80.5
69.03412	13.9
69.07076	38.3
71.04975	11.6
71.57782	5.1
79.05495	80.6
81.03403	10.5
81.07057	100.0
83.04979	14.5
83.08620	19.1
85.02926	4.9
91.05479	77.1
93.07047	91.5
95.04955	14.6
95.08613	51.4
97.02894	7.0
97.06512	13.9
97.10165	14.3
99.08097	5.0
103.05459	4.3
105.07030	80.0
107.04948	9.3
107.08603	56.9
107.79054	4.1
109.06492	5.6
109.10172	25.7
111.08074	4.6
115.05414	5.2
117.07022	29.8
119.08587	62.7
121.06490	8.2
121.10156	36.1
123.08073	6.3
123.11684	7.1
125.09647	6.1
127.03946	5.3
128.06221	6.0
129.06998	20.8
131.08574	42.9
133.10139	44.4
135.08075	7.6
135.11682	22.9
142.07800	5.9
143.08626	26.2
145.05093	3.9
145.10133	30.7
147.11731	34.7
147.59456	3.6
149.09630	13.6
149.13257	12.2
151.11189	4.7
155.08559	12.5
157.10152	24.9
159.08009	4.2
159.11678	28.2
161.09605	5.0
161.13336	19.0
163.11125	8.2
165.12756	4.4
169.10144	9.2
171.11664	19.2
173.09587	4.3
173.13235	14.9
175.14874	6.8
176.10381	3.6
181.10167	6.3
183.11674	16.6
185.13261	16.2
187.11258	6.3
187.14806	4.1
195.11642	8.8
195.13759	4.8
197.13213	9.3
199.14853	11.6
209.13240	6.0
211.14806	6.2
213.16382	4.4
221.13313	3.9
223.14919	5.6
237.16373	6.0
241.19495	14.1
255.15842	14.5
257.18912	4.1
259.20566	40.7
261.22208	4.7
269.17444	15.2
273.18564	6.3
275.19925	18.6
315.23260	7.5
333.24295	37.8
349.23959	15.7
367.24753	5.6
435.32172	7.8
509.36038	4.2
513.35791	19.5
515.37769	7.3
527.37299	45.6
533.39685	5.9
545.38257	7.9
567.39813	4.4
607.43646	44.1
625.44641	34.2
643.45642	4.4
706.37103	3.9
744.21545	3.9
745.54504	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	839.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02649	2.4
61.02930	39.3
61.70412	1.7
63.17605	1.8
65.03947	3.3
67.05508	69.6
69.03418	7.7
69.07079	14.5
71.08608	2.0
71.56768	3.1
73.02918	14.6
75.04485	2.9
79.05497	35.8
81.03407	5.7
81.06589	3.9
81.07064	75.5
83.04960	2.5
83.08624	7.9
85.02425	3.6
85.02912	47.2
85.06551	2.5
91.03965	47.2
91.05483	21.0
93.01596	1.7
93.06474	3.1
93.07053	51.1
95.04972	4.2
95.08612	67.6
97.02897	22.4
97.06512	3.2
97.10143	3.5
99.04461	5.0
99.08046	2.7
103.03931	2.9
105.07041	18.7
107.08609	33.7
109.02848	2.0
109.10162	35.8
115.03895	2.7
117.07056	10.8
119.08591	16.6
121.10155	37.2
122.33047	2.4
123.11729	16.1
127.03917	21.4
131.08568	21.9
133.10126	13.6
135.11713	27.9
137.13222	5.9
139.11145	2.2
145.04970	30.0
145.10132	12.8
147.11702	9.9
149.13261	26.9
151.14796	2.5
154.67326	1.9
159.11700	15.7
161.13269	13.0
163.06033	46.7
163.14836	10.0
165.12737	3.5
173.13249	11.0
175.14830	3.7
177.16377	5.3
187.14827	7.8
191.14610	1.6
201.16490	3.7
202.72285	1.8
203.77539	1.9
205.15918	2.0
233.22713	3.6
243.21101	32.7
249.14896	1.9
261.22156	100.0
279.23215	4.3
335.25797	38.3
353.26892	64.0
405.27026	2.4
443.28119	2.1
449.17645	2.0
479.29825	3.6
497.31189	12.6
741.09741	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	829.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.5
65.09915	0.3
67.05499	1.0
69.07103	0.4
70.87420	0.7
73.02920	0.6
77.66540	0.4
79.05502	0.8
81.07066	1.2
91.03967	0.8
91.05479	0.6
93.07064	1.1
95.08628	0.7
97.02911	0.7
105.07070	0.4
107.08573	0.6
113.78056	0.3
119.08578	0.4
205.74907	0.3
221.59245	0.3
333.20520	0.8
342.48706	0.4
407.24194	0.7
477.24521	0.9
495.25961	1.5
519.29584	1.4
551.28247	0.9
591.31470	0.6
717.41669	1.1
731.43225	1.0
747.42621	0.4
829.50720	100.0
830.50824	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	828.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	9.7
65.03957	2.4
67.05508	38.6
67.05877	2.0
68.05032	1.4
69.03080	1.3
69.03437	17.4
69.07066	10.7
70.06602	6.9
71.04987	4.5
71.57161	1.4
73.02912	4.1
79.05499	30.3
80.05013	2.0
81.02977	1.7
81.03419	19.8
81.07061	40.6
82.06571	1.8
83.04977	6.4
83.08630	7.9
84.04504	8.3
84.08128	2.6
85.02911	11.3
86.06072	54.4
87.04472	28.0
91.03993	5.7
91.05488	16.3
93.07050	32.2
94.06569	1.6
95.04985	8.9
95.08614	25.5
95.09187	0.8
96.08139	3.4
97.02908	9.2
97.06550	5.1
97.10190	2.1
98.06057	39.3
99.04465	1.1
101.02426	1.6
102.05551	2.0
102.17309	1.2
104.07111	36.6
105.07036	10.1
107.04942	2.8
107.08609	16.1
108.08121	1.0
109.02847	1.1
109.06551	1.3
109.10179	8.8
111.08097	3.0
112.07612	16.4
114.05543	1.1
117.07055	3.1
119.08582	9.4
121.10155	15.5
122.06010	1.2
122.09656	1.2
123.08057	2.7
123.11720	1.8
124.07590	4.6
125.09618	1.2
126.05529	7.5
126.09115	2.0
127.03922	1.4
129.07008	3.0
131.08577	10.5
133.10114	6.0
134.35339	1.3
135.11664	6.6
136.07549	1.3
137.13274	2.6
138.09093	1.3
138.12827	3.2
139.11140	1.0
140.07066	3.6
142.08629	4.4
145.10147	4.0
147.08022	1.2
147.11684	6.9
148.07559	3.7
149.09630	33.0
149.13261	2.9
151.11198	1.3
154.08611	3.1
157.10132	3.9
158.08112	10.5
159.11725	3.0
161.13242	1.8
165.12762	4.4
166.08800	1.3
166.12294	2.6
167.10768	1.3
169.10129	1.2
173.13251	1.4
175.11223	3.4
177.12714	2.6
182.15466	2.0
184.13356	3.8
190.89655	1.2
193.12245	10.3
195.13788	1.4
206.15378	3.0
210.14951	8.0
211.13284	2.3
212.16324	1.1
224.16478	4.8
232.16968	1.1
234.14899	4.0
243.21178	1.7
250.18053	3.6
252.15970	17.0
260.16461	6.9
261.22153	5.0
267.15936	25.4
268.19046	3.6
270.17194	1.6
278.17563	11.4
296.18527	6.1
302.19769	1.6
314.19684	3.4
335.25790	31.2
344.20572	3.8
352.20917	1.4
360.24033	1.2
362.21799	3.2
365.95840	1.1
370.22232	4.6
388.23325	8.9
427.77197	1.3
453.33487	1.4
458.24045	3.0
485.52002	1.1
527.37360	13.0
545.38495	6.9
559.55103	1.3
604.41815	4.4
608.01868	1.1
622.43207	29.2
630.43536	3.0
648.44733	100.0
649.44708	3.2
739.25836	1.2
766.47003	1.8
784.47931	5.7
792.48657	2.6
810.49988	94.4
811.49304	4.6
828.52020	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	826.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.8
61.02651	0.7
61.02932	9.6
65.03947	0.8
65.44518	0.7
67.05511	53.3
67.92753	0.6
69.03420	1.5
69.07065	5.6
70.62805	2.4
71.05003	2.2
71.08636	16.9
73.02912	2.6
79.05483	1.6
81.03374	0.8
81.07063	13.4
83.08619	8.3
85.02911	10.3
85.06536	2.7
85.10181	8.9
91.03971	6.8
91.05476	3.1
93.07046	2.4
95.08051	1.0
95.08615	11.6
97.02898	6.4
97.10156	2.5
99.11736	0.8
103.07570	1.1
107.08588	1.6
109.10161	58.0
111.08067	2.1
119.08566	3.4
123.11703	2.1
127.03905	2.5
137.09631	2.3
145.04977	3.0
155.10692	4.0
163.06035	3.4
173.11736	16.2
212.79199	0.7
225.66406	0.7
229.14368	100.0
230.14784	1.5
239.23744	1.9
257.24835	1.3
270.10944	0.7
270.14035	0.8
313.27380	80.5
314.27655	1.0
360.22931	0.7
373.19180	0.8
440.08130	0.8
467.37366	67.9
468.37537	2.2
718.58606	0.9
718.80219	0.9
812.46979	0.8
826.47864	1.0
827.23627	0.9
854.75824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	9.8
67.05508	83.7
69.03432	11.5
69.07074	38.9
71.58135	6.1
79.05498	61.3
81.03426	16.2
81.07056	100.0
83.05001	10.4
83.08618	19.6
91.05492	58.1
93.07053	87.4
95.04980	10.8
95.07610	5.0
95.08614	68.3
97.02895	9.4
97.06520	15.4
97.10186	5.7
105.04563	5.2
105.07037	40.7
107.04944	7.8
107.08586	44.1
109.10162	24.8
117.07032	16.5
119.08601	29.8
121.10138	31.7
123.08089	4.6
123.11741	8.6
125.09660	8.1
129.07005	8.5
131.08594	23.7
133.10130	15.2
135.08060	7.1
135.11716	20.4
138.94633	4.9
143.08632	10.9
145.10101	23.9
147.11684	15.7
149.09628	11.6
149.13284	11.7
157.10107	5.8
159.11667	12.7
163.11215	4.9
171.11728	4.6
173.13245	9.2
240.40773	5.6
246.81725	6.7
255.16037	9.8
257.18976	5.7
261.22147	14.2
269.17502	20.1
275.20093	24.8
280.07211	5.3
309.20432	6.6
335.25885	90.2
349.23822	34.0
367.24817	5.7
515.37213	13.2
529.39154	46.5
569.41693	9.0
594.01996	6.0
609.45215	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11957	3.0
65.03937	5.9
67.05507	100.0
69.03431	12.1
69.07070	31.2
71.04991	7.7
73.02917	3.0
79.05496	68.1
81.03416	24.0
81.07059	97.4
83.04990	13.6
83.08628	15.8
83.60497	2.3
85.02910	10.5
85.06539	5.1
91.05482	65.3
93.07052	85.3
95.04958	15.7
95.08611	51.8
97.02910	7.2
97.06534	19.1
97.10171	9.7
99.04466	5.9
99.08080	3.8
103.03934	4.7
105.04453	2.5
105.07034	47.6
105.07694	5.0
105.27785	2.6
107.04972	10.5
107.08601	57.4
109.02885	12.2
109.06524	9.5
109.10167	27.2
111.04449	5.7
111.08097	5.2
117.07016	21.5
119.04903	3.1
119.08587	39.8
121.06514	7.5
121.10144	28.2
123.08080	6.2
123.11708	7.5
125.09619	6.5
127.03915	20.7
128.06332	2.3
129.07022	7.0
131.05017	2.9
131.08571	35.8
133.06482	3.0
133.10129	28.6
135.08054	5.7
135.11705	29.0
137.09616	5.7
141.06999	3.2
143.08580	5.7
145.06473	3.0
145.10135	26.7
147.08115	3.9
147.11697	19.1
149.09618	12.3
149.13251	17.8
157.10109	11.2
159.08040	4.3
159.11691	26.5
161.09587	3.7
161.13229	11.5
163.11172	9.8
163.14830	5.8
165.12733	2.7
168.31990	2.6
169.10132	5.0
171.11682	9.8
173.11934	3.4
173.13290	12.4
175.11186	5.5
175.14844	4.0
177.12766	13.2
181.12242	7.6
183.11716	5.8
185.13269	7.4
187.14758	2.8
189.11176	3.9
189.12782	3.0
191.14340	4.0
192.08904	2.8
193.12267	2.7
195.13843	13.8
197.09631	2.7
197.13290	2.5
211.13229	2.6
213.14786	4.2
217.15895	3.6
219.13994	3.4
227.12810	3.9
229.14359	5.5
229.24840	2.5
239.17938	6.0
243.21103	4.1
247.20827	3.4
249.14912	3.4
255.15971	22.6
257.04510	3.1
257.19000	13.1
261.22101	13.4
269.17474	48.2
275.16751	4.1
275.20062	54.2
287.05518	6.3
293.21008	4.5
303.15860	6.0
309.20425	6.1
321.16919	8.9
325.16476	8.3
335.25839	31.7
339.18060	19.1
343.17334	3.2
349.23740	47.4
357.19257	3.5
367.24762	18.1
369.24237	4.1
383.22089	2.7
405.26324	2.7
419.24286	9.9
437.25317	7.2
463.08658	2.6
609.44891	10.9
691.44373	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	820.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
57.07082	5.2
61.02919	2.3
65.03947	2.9
65.74742	0.9
67.05506	42.2
69.03429	8.0
69.07066	42.4
69.92239	4.7
71.04994	1.6
71.08633	1.3
75.53229	0.9
75.72832	1.1
79.05057	2.0
79.05492	21.9
79.05960	1.3
81.03418	6.8
81.07059	88.5
83.04990	1.1
83.08624	18.0
85.02423	1.7
85.02901	19.7
85.06548	12.7
85.07023	1.6
87.00830	7.9
91.05482	30.7
93.07045	60.2
95.04949	3.5
95.08608	75.3
97.02888	11.8
97.06548	1.6
97.10172	6.1
98.21397	1.5
99.04436	3.4
103.05439	1.7
103.26538	0.9
105.01869	13.6
105.04507	1.6
105.07034	75.7
106.07395	1.1
107.04924	1.6
107.08598	72.3
109.02898	10.5
109.06518	2.4
109.10158	75.3
111.11662	1.7
117.07024	8.6
119.08582	78.9
121.10147	51.0
123.11707	30.7
125.13287	1.1
127.03918	17.3
129.07002	2.8
130.07803	2.5
131.08566	25.0
133.10138	49.0
135.11699	41.8
137.13313	7.3
143.08556	3.1
144.09337	3.8
145.04994	5.4
145.10124	43.3
147.04338	1.5
147.11690	57.4
149.13257	26.2
151.14813	1.4
157.10147	3.6
158.10901	1.5
159.02904	4.8
159.11696	58.2
161.13261	44.1
163.14825	23.6
171.11647	2.7
173.13260	25.3
175.14835	29.5
177.16367	12.4
185.13206	1.7
187.14812	22.0
189.16371	36.1
190.16869	1.4
191.17935	2.2
193.12302	1.9
199.14853	1.7
201.16377	35.3
202.17079	2.1
203.17972	23.2
213.03876	2.8
213.16406	1.8
215.17961	49.1
225.14806	1.6
229.19501	9.0
231.04990	7.3
243.21030	2.4
249.06053	3.8
254.46436	1.1
269.22656	1.2
271.24213	100.0
272.24472	1.1
288.26862	3.2
289.25217	1.2
379.92188	1.2
385.79080	1.2
433.82852	1.2
508.08786	1.0
545.77460	1.1
682.00568	1.2
826.27264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
57.07082	5.2
61.02919	2.3
65.03947	2.9
65.74742	0.9
67.05506	42.2
69.03429	8.0
69.07066	42.4
69.92239	4.7
71.04994	1.6
71.08633	1.3
75.53229	0.9
75.72832	1.1
79.05057	2.0
79.05492	21.9
79.05960	1.3
81.03418	6.8
81.07059	88.5
83.04990	1.1
83.08624	18.0
85.02423	1.7
85.02901	19.7
85.06548	12.7
85.07023	1.6
87.00830	7.9
91.05482	30.7
93.07045	60.2
95.04949	3.5
95.08608	75.3
97.02888	11.8
97.06548	1.6
97.10172	6.1
98.21397	1.5
99.04436	3.4
103.05439	1.7
103.26538	0.9
105.01869	13.6
105.04507	1.6
105.07034	75.7
106.07395	1.1
107.04924	1.6
107.08598	72.3
109.02898	10.5
109.06518	2.4
109.10158	75.3
111.11662	1.7
117.07024	8.6
119.08582	78.9
121.10147	51.0
123.11707	30.7
125.13287	1.1
127.03918	17.3
129.07002	2.8
130.07803	2.5
131.08566	25.0
133.10138	49.0
135.11699	41.8
137.13313	7.3
143.08556	3.1
144.09337	3.8
145.04994	5.4
145.10124	43.3
147.04338	1.5
147.11690	57.4
149.13257	26.2
151.14813	1.4
157.10147	3.6
158.10901	1.5
159.02904	4.8
159.11696	58.2
161.13261	44.1
163.14825	23.6
171.11647	2.7
173.13260	25.3
175.14835	29.5
177.16367	12.4
185.13206	1.7
187.14812	22.0
189.16371	36.1
190.16869	1.4
191.17935	2.2
193.12302	1.9
199.14853	1.7
201.16377	35.3
202.17079	2.1
203.17972	23.2
213.03876	2.8
213.16406	1.8
215.17961	49.1
225.14806	1.6
229.19501	9.0
231.04990	7.3
243.21030	2.4
249.06053	3.8
254.46436	1.1
269.22656	1.2
271.24213	100.0
272.24472	1.1
288.26862	3.2
289.25217	1.2
379.92188	1.2
385.79080	1.2
433.82852	1.2
508.08786	1.0
545.77460	1.1
682.00568	1.2
826.27264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
78.74275	0.7
80.03456	0.7
81.07037	0.8
86.09734	0.7
92.08548	0.6
93.07037	1.1
98.21494	1.7
102.22202	0.8
181.33900	0.6
184.07410	1.3
199.05838	0.8
205.85188	0.6
256.91498	0.7
373.11377	1.4
429.17429	1.1
440.10461	0.8
461.24350	0.8
479.26315	0.8
519.29730	1.3
535.29059	0.7
560.00037	0.7
591.31329	3.2
605.33014	1.1
633.35760	1.6
641.43958	1.9
675.40234	1.0
743.42896	1.2
813.51233	100.0
814.51599	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	817.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
61.02640	1.2
61.02929	17.4
65.03934	1.8
65.73653	0.6
67.05508	22.9
69.03433	4.3
69.07071	9.1
69.62140	4.6
71.04975	3.2
73.02914	4.4
73.06533	0.8
77.03963	0.7
79.05064	1.4
79.05502	22.2
81.03419	4.4
81.07059	25.8
82.66768	0.7
83.04969	2.9
83.08628	9.5
85.02421	1.3
85.02908	15.9
85.06528	2.7
91.03965	8.4
91.05485	25.2
93.07051	19.5
95.04984	5.0
95.08611	15.6
97.02896	11.2
97.06556	4.9
97.10172	3.1
98.21516	1.4
99.04460	1.8
99.08053	1.1
103.05488	0.8
105.04522	0.7
105.07034	20.1
107.04955	3.2
107.08595	9.9
109.02898	0.9
109.06526	5.3
109.10139	5.3
111.08096	3.6
115.03947	0.9
115.05453	2.7
116.06264	0.9
117.07026	18.6
118.01505	0.7
119.08589	13.4
121.06519	4.2
121.10144	8.1
123.08095	2.6
123.11732	1.0
125.09637	3.1
127.03931	3.2
127.07658	0.7
128.06233	4.8
129.07013	22.9
131.08569	26.6
133.06494	3.9
133.09242	1.0
133.10156	9.7
135.08057	4.3
135.11703	3.3
137.09616	1.3
139.07489	0.8
141.06992	9.3
141.09149	0.9
142.07751	2.1
143.08571	18.9
145.04962	3.0
145.06491	5.5
145.10135	12.8
147.08066	4.8
147.11688	5.7
149.09628	3.3
149.13280	2.0
151.11189	2.1
153.07040	1.4
154.07753	1.4
155.08569	15.7
156.09334	1.1
157.06540	1.7
157.10127	11.1
159.08064	4.7
159.11682	12.4
159.12862	1.2
161.09625	2.4
161.13272	1.7
163.06061	1.2
163.07526	0.9
163.11224	3.6
165.06981	1.7
165.12677	1.1
166.07826	1.8
167.08575	6.8
167.71483	0.8
168.09267	0.9
169.10138	8.3
171.08017	2.3
171.11711	7.0
173.09633	2.8
173.13306	2.7
175.07643	0.9
175.11172	3.6
177.12708	5.3
179.08649	3.5
181.10135	7.8
182.11049	0.8
183.08058	1.9
183.11700	7.7
185.09601	1.6
185.13266	5.0
187.11183	2.3
187.14867	1.3
189.12756	1.7
193.10135	3.6
193.12160	1.3
194.10851	0.9
195.11714	8.6
197.09650	1.6
197.13263	5.5
199.11153	2.2
199.14926	1.9
201.12802	2.3
203.10730	0.7
203.12692	0.8
203.14377	1.8
205.10228	1.1
205.12296	1.1
206.10889	0.8
207.11681	4.4
209.13297	5.9
211.11128	2.1
211.14888	3.4
213.12776	2.7
213.16368	1.3
215.14415	1.8
219.11697	1.4
219.13794	1.3
221.13339	5.9
221.15315	1.2
223.14830	6.5
224.08157	0.8
225.12868	1.8
225.16417	2.0
227.14421	1.1
229.14279	1.1
233.13312	1.5
233.15372	1.0
235.14845	3.8
237.16273	0.8
239.14343	3.7
239.17961	1.0
241.15874	2.0
243.13809	1.5
247.16986	3.0
249.16469	1.9
253.15843	4.1
257.15314	3.5
259.17001	2.1
261.14896	1.6
267.17706	1.0
269.15182	0.9
271.16882	3.7
283.17056	1.1
285.18665	1.5
305.10657	1.4
305.61087	1.0
315.21237	1.3
323.23456	3.4
333.22141	9.2
341.24771	4.7
343.62430	0.8
351.23212	30.3
353.24710	0.8
365.24780	2.3
369.24271	25.3
383.25693	5.5
387.25217	6.1
401.26871	41.0
402.27182	1.5
419.27853	3.6
425.26767	1.4
428.23660	0.8
443.27982	10.7
457.29553	2.0
461.28751	1.6
475.30582	100.0
476.31009	2.6
493.24344	1.2
493.31580	19.2
497.28558	0.8
498.62512	0.8
513.28473	1.0
535.32996	1.0
553.52985	0.8
601.33917	1.1
619.34454	2.2
637.35962	3.4
655.37085	2.5
655.79999	0.8
731.20319	0.8
817.41162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
60.80053	0.6
61.02927	4.3
67.05507	4.6
67.28859	0.6
69.03438	2.8
69.07074	2.6
69.74213	2.9
71.01387	0.8
71.05003	2.3
73.02923	2.6
78.53131	0.6
78.86630	0.5
79.05503	4.4
81.03427	4.0
81.07070	5.5
83.04984	0.8
83.08621	1.2
85.02917	5.8
91.03963	2.2
91.05493	5.0
93.07041	5.2
95.05005	1.6
95.08629	2.9
96.09791	0.8
97.02921	4.2
97.06573	1.0
99.04468	1.0
101.02425	1.6
103.04002	0.8
105.07075	3.1
107.04980	0.9
107.08626	2.0
109.02970	0.7
109.06551	1.0
109.10172	0.7
112.24178	0.7
117.07040	1.2
119.08613	2.8
121.10173	1.9
123.08095	0.7
127.03954	1.2
131.08632	1.9
133.10143	1.7
135.55850	0.7
145.10181	0.8
146.65752	0.7
147.11713	1.5
149.02426	0.8
149.09682	1.9
157.10124	1.1
175.11198	1.0
194.64627	0.7
203.05495	0.7
243.08426	3.4
281.17694	0.8
283.15265	2.9
333.20547	2.4
389.23303	0.9
409.38675	0.7
421.72241	0.8
478.94547	0.7
488.96036	0.8
501.23334	13.0
551.28381	9.0
721.37823	1.5
767.64703	0.7
811.44550	100.0
812.45068	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	808.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.1
59.16021	10.6
67.05508	80.7
69.03439	17.1
69.07066	32.4
70.07344	46.6
75.47852	9.9
79.05502	84.5
81.03421	18.4
81.07064	86.3
83.08584	14.4
85.02953	11.0
91.05482	90.9
93.07055	100.0
95.04989	18.9
95.08607	77.5
97.10181	11.6
105.07056	76.7
107.08595	73.3
109.10167	39.5
117.07047	28.8
119.08606	68.0
121.10123	60.5
129.07028	32.7
131.08582	49.5
133.10138	51.0
135.11700	53.9
143.08607	22.5
145.10144	38.8
147.11693	25.1
149.13268	33.0
154.41435	10.1
157.10147	22.7
159.11717	39.4
161.13264	18.0
163.14740	12.2
171.11722	21.7
173.13228	24.1
241.19588	20.3
259.20627	78.7
261.22244	22.5
285.46799	11.7
301.21140	10.9
333.24408	18.3
351.25235	68.8
353.43161	11.1
375.25391	13.5
387.25278	15.4
403.24832	15.4
441.26331	27.4
581.90363	12.3
737.50189	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	803.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
61.02925	12.5
65.03931	1.6
67.05509	22.5
69.03422	4.9
69.07070	8.8
69.96867	1.5
70.06617	3.1
71.04997	2.7
71.57221	1.8
72.35422	1.4
73.02916	4.4
79.05486	18.1
79.81235	1.4
81.03407	5.3
81.07068	18.4
83.04984	2.7
83.08624	9.4
84.08170	2.1
85.02910	17.9
91.03970	7.2
91.05492	25.9
91.45230	1.5
91.66587	1.5
93.07054	20.8
95.04958	5.2
95.08624	15.8
97.02892	11.4
97.06553	6.9
97.10184	2.7
99.04448	1.9
103.05421	1.7
105.07039	20.7
107.04948	3.7
107.08614	9.8
109.02863	1.7
109.06516	4.6
109.10152	5.5
111.04456	1.8
111.08075	3.7
115.05454	3.7
117.07032	16.0
119.08585	10.4
121.06512	4.1
121.10140	5.3
123.08084	3.1
127.03944	3.7
128.06216	5.4
129.07008	18.0
131.04889	1.6
131.08580	29.4
133.06509	4.1
133.10141	9.5
135.08070	4.1
135.11649	2.8
141.07014	8.0
143.08553	18.8
145.04968	3.5
145.06476	4.3
145.10120	12.2
147.04439	2.2
147.08064	3.7
147.11717	5.0
149.09583	3.6
155.08565	12.9
157.06552	2.2
157.10132	9.8
159.08089	3.6
159.11665	9.5
161.09633	2.9
163.11252	2.3
165.06990	2.2
167.07155	1.7
167.08580	6.6
169.10132	9.2
171.08031	1.8
171.11693	4.6
173.09709	2.2
173.13351	2.7
175.11217	3.2
177.12785	4.3
179.08528	3.1
181.10141	7.5
183.08087	1.7
183.11765	5.6
185.09564	1.5
185.13248	3.7
187.11205	3.6
191.10582	1.7
193.10170	3.9
193.12071	2.1
195.11714	7.6
197.09499	2.6
197.13249	4.6
199.14796	1.7
201.12650	1.4
203.14275	1.8
207.11697	2.0
209.13223	4.7
211.14844	5.3
213.12903	1.9
221.13277	5.8
223.14807	7.1
233.13289	2.3
233.15482	2.2
235.15024	2.2
239.14377	4.3
241.15836	2.0
253.15840	2.7
255.14056	1.6
257.15259	3.9
271.16895	3.2
285.18445	1.8
316.77161	1.7
323.23843	4.0
333.22079	8.8
341.24747	4.2
351.23160	25.9
369.24280	24.2
387.25278	29.1
443.28009	21.9
461.29019	100.0
462.29303	2.1
479.30103	20.3
605.33307	2.6
623.34290	4.2
641.35193	4.2
803.37665	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	798.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.2
57.03418	0.7
58.06593	0.4
60.04527	8.5
67.05508	3.2
68.05010	0.9
69.03409	0.7
69.07030	1.8
70.06599	4.9
71.04958	1.8
71.57165	0.6
72.04494	1.2
72.08125	0.7
78.78513	0.5
79.05448	1.9
80.05022	5.2
81.03397	1.4
81.07067	3.5
82.06587	4.0
83.04945	0.8
83.08618	4.8
84.04457	1.1
84.08105	1.9
85.02875	0.7
85.06525	0.9
86.09668	1.4
90.05512	0.7
91.05434	1.6
93.07016	2.0
94.06045	0.5
94.06571	7.5
95.04924	0.6
95.08607	3.2
96.08104	1.1
97.06547	2.7
98.06013	1.6
98.09680	1.1
100.07589	1.5
100.11259	31.2
105.07000	1.1
107.08536	1.3
108.08083	1.9
109.06499	0.5
109.10105	1.1
110.06024	1.7
110.07119	0.6
110.09664	0.7
111.04449	2.6
111.08031	1.3
112.07572	0.9
117.13824	0.8
119.08554	0.6
120.08057	1.6
121.10104	1.4
122.09662	0.6
124.07561	0.8
126.09138	1.3
127.08618	0.9
128.07021	1.8
133.10080	0.9
133.76729	0.5
134.09622	0.9
135.11667	0.7
139.08621	1.6
140.07037	1.2
145.10086	1.1
147.04347	0.8
147.11687	1.1
149.61295	0.5
158.99553	0.4
173.09100	0.5
179.14238	1.4
182.15417	10.6
209.16513	13.0
210.14894	13.6
213.31128	0.4
220.56329	0.5
224.20097	1.8
226.19153	4.9
227.17482	1.1
228.15923	1.1
236.16417	0.6
236.20111	6.5
244.20605	0.9
246.14824	0.9
254.21127	6.4
262.21692	2.4
264.23239	1.2
274.21695	4.5
280.22403	0.6
292.22690	5.9
308.26871	0.8
310.23813	3.5
326.28085	3.0
328.24823	37.7
336.22693	4.0
346.25885	93.8
347.26083	0.9
349.13403	1.0
417.32382	0.6
435.33353	9.2
453.34375	100.0
454.34641	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	796.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.1
57.03447	2.9
59.05010	0.8
60.04264	0.5
60.04533	5.8
60.16004	0.5
61.02922	2.1
65.03932	0.6
67.05510	3.6
68.05044	0.7
68.99789	1.1
69.03437	10.8
69.07064	1.4
69.82433	1.7
69.82871	1.5
70.06585	1.7
71.04993	1.3
72.04517	1.2
72.08160	0.7
73.02903	1.9
78.85625	0.5
79.05500	2.2
80.05011	2.3
81.03428	8.2
81.07053	2.5
82.06601	0.8
83.04991	3.4
84.04504	0.9
84.08138	0.6
85.02911	12.5
85.03426	0.8
86.06105	0.7
86.09743	0.6
87.00837	26.0
87.04473	3.9
90.05544	0.8
91.05493	2.2
93.07056	2.2
94.06551	2.8
95.04949	0.7
95.08601	2.4
97.02898	100.0
97.06535	1.7
98.06022	1.5
98.97575	0.6
99.04473	2.3
101.35098	0.6
103.03946	0.8
103.05496	0.9
104.98902	0.6
105.01874	8.9
105.07070	1.7
107.08566	1.0
109.02898	4.8
109.10176	0.8
110.06065	1.0
111.04479	3.6
113.02386	0.6
114.05581	0.6
115.03921	3.2
116.99443	0.7
117.01828	0.6
119.08574	1.0
120.08149	1.1
123.08070	0.6
124.07571	0.7
127.03924	5.0
129.05444	1.4
130.16362	0.6
131.04936	1.2
131.08647	0.6
131.83188	0.6
132.06589	1.4
133.04968	1.4
133.10156	0.9
135.04424	0.6
137.06015	1.2
138.09158	0.6
139.03886	0.8
145.05028	0.7
147.03027	0.6
147.04404	1.0
149.06094	0.5
151.04008	0.7
159.02928	1.7
161.09625	1.0
163.03888	0.6
167.07088	1.4
169.05106	0.6
177.05490	0.7
181.04997	1.0
201.03955	10.5
210.15002	0.7
213.51532	0.6
219.05064	1.3
228.99095	0.7
238.21791	1.1
256.22787	2.0
259.09692	0.6
267.15942	1.4
276.23264	1.3
294.24445	2.3
302.19919	0.6
312.25323	3.6
322.46008	0.6
327.07098	0.6
330.26410	47.7
331.26785	0.9
372.27499	1.1
534.32672	6.3
548.30823	1.2
578.31763	22.1
579.32166	1.0
581.32361	0.6
708.37537	1.0
752.37061	8.5
796.35925	37.9
797.36639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.1
55.05519	22.1
57.03447	3.7
57.07064	6.6
57.67555	2.5
63.13659	2.3
65.03950	3.8
67.05510	90.6
69.03422	8.8
69.07076	18.7
69.75887	14.1
71.05006	3.5
79.05499	58.4
80.50091	2.9
81.03429	9.2
81.07062	100.0
83.04986	3.2
83.08624	13.3
84.08161	11.8
85.02902	11.0
85.06525	3.2
91.04974	3.6
91.05489	38.9
93.07050	79.8
93.26503	2.4
95.04950	8.6
95.08613	83.5
97.02877	4.7
97.06553	6.8
97.10129	5.9
98.21489	4.4
99.04489	5.3
99.08117	3.6
105.07045	37.2
107.08598	49.9
109.06502	5.9
109.10167	40.7
109.10846	5.4
111.04461	3.8
111.08092	5.9
111.11745	3.4
113.09686	3.6
117.07053	14.8
119.08585	31.3
121.10147	51.3
123.08041	3.5
123.11723	20.7
127.03962	3.1
129.05434	3.1
129.07013	4.1
130.08641	22.1
130.15915	4.8
131.08582	28.5
133.06519	4.0
133.10150	26.7
135.08054	3.5
135.11708	29.3
137.13257	7.3
138.17461	2.9
139.11156	2.8
139.76649	3.0
142.07759	3.0
143.08546	7.2
145.05077	2.6
145.10152	25.1
147.08069	3.3
147.11694	21.2
149.09612	3.6
149.13272	19.9
153.12860	3.8
155.08566	4.3
157.10107	3.2
159.11717	23.7
161.13246	13.6
163.14818	13.2
169.10141	4.7
171.11714	2.9
173.13319	18.8
175.14774	4.0
183.11673	3.2
185.13316	5.5
187.14825	10.2
191.14340	2.9
199.14885	3.3
201.16261	2.9
243.21115	28.6
259.20590	5.0
261.22150	99.7
277.14392	3.3
277.21637	3.6
279.23291	3.9
289.21695	3.6
301.21854	4.3
303.23132	3.3
313.21494	2.9
315.23227	3.9
331.22720	3.1
335.25790	28.1
351.23007	7.4
353.26846	28.3
369.24365	13.5
387.25253	11.1
396.76556	2.9
405.26321	11.0
423.27274	9.2
547.21509	3.4
787.53973	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	790.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.5
55.86235	1.4
57.03448	8.5
57.07067	2.0
60.70308	1.4
67.05508	26.8
69.07069	16.8
69.81264	2.7
69.81660	4.6
71.05009	1.8
79.05507	12.8
81.07061	33.7
83.05001	1.9
83.08616	11.0
85.06491	1.7
85.47960	1.4
86.09714	2.6
91.05473	5.6
93.07043	12.0
95.08615	25.0
97.06539	2.9
97.10172	6.9
98.20844	3.0
105.07014	5.1
107.08598	12.2
109.10185	9.0
112.99289	2.7
113.00021	28.6
117.07016	1.4
119.08588	5.7
120.11237	1.5
121.10143	5.5
123.11710	3.6
124.99958	2.2
125.09617	3.6
131.08569	2.4
133.10149	5.6
135.11699	4.3
137.13246	2.4
143.79482	1.4
147.11717	3.7
161.13269	1.8
162.04832	1.5
163.11356	1.8
169.02609	25.5
184.07326	7.0
187.03725	2.8
203.12823	4.3
245.22629	2.2
249.03697	1.5
258.37839	1.5
263.23737	2.9
275.20081	11.3
307.22620	12.3
337.27377	100.0
338.27655	1.8
383.33597	1.7
563.38947	1.9
564.39429	5.8
632.21643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05268	1.5
55.05516	18.7
57.03445	8.5
65.03944	2.5
67.05510	44.8
69.03428	3.3
69.06773	1.2
69.07079	10.7
70.57492	3.8
71.04984	5.7
71.05325	1.3
79.05500	38.3
81.03427	37.1
81.07066	38.2
83.04982	4.1
83.08621	14.3
85.02892	2.7
85.06530	3.2
86.95441	1.2
91.05489	38.7
93.06470	2.2
93.07054	34.7
95.04979	14.3
95.08617	22.5
97.02888	3.2
97.06533	4.2
97.10181	10.5
99.08109	3.0
105.07045	34.4
107.04960	4.9
107.08604	24.0
109.06525	4.5
109.10165	12.9
111.08089	4.6
115.05441	2.3
117.07047	16.3
119.07796	2.2
119.08590	30.2
121.06534	4.4
121.10159	18.2
123.08055	5.4
123.11690	3.1
125.09647	8.1
128.06224	2.2
129.07022	15.2
131.08574	23.9
133.06494	1.9
133.10136	21.0
135.08029	3.6
135.11702	7.5
137.09608	3.0
141.07039	3.2
142.07793	1.9
143.08588	10.3
145.10136	16.0
147.08047	2.7
147.11708	18.1
149.09613	5.6
149.13275	4.2
151.11218	1.5
155.08522	5.2
157.08922	1.8
157.10133	14.5
159.11679	13.7
161.09583	1.7
161.13258	7.4
163.11195	2.6
165.12842	2.0
167.08569	2.1
169.10110	5.5
171.11717	11.6
173.13268	8.2
175.11188	4.6
175.14813	4.1
177.12738	1.3
181.10115	2.6
183.11652	6.2
184.07448	1.6
185.13367	6.0
187.11165	1.3
187.14784	3.2
189.11217	3.3
189.12738	1.7
191.14195	1.4
193.12268	5.0
195.11746	2.7
195.13747	1.3
197.13318	3.3
199.11034	1.8
199.14801	5.0
203.14435	1.5
209.13290	3.1
211.14809	2.3
213.16510	1.8
221.13252	1.8
223.14929	1.8
227.12791	5.5
229.14229	1.8
231.21169	1.7
241.19505	5.2
256.67383	1.2
259.20575	14.7
267.15948	18.4
275.20184	2.0
283.20459	1.8
291.19650	1.4
293.02322	1.3
297.22107	1.4
299.20370	1.9
299.23676	4.3
301.99332	1.4
307.20355	1.3
332.90256	1.5
333.24182	10.9
335.26062	1.9
339.23294	2.2
407.24228	2.5
415.29926	2.4
421.25879	7.3
433.31094	8.1
435.27325	5.1
451.32111	11.3
469.33563	6.5
507.34653	4.9
517.35010	3.5
525.35797	50.3
543.36871	100.0
544.37128	3.2
547.47333	1.4
557.38397	9.6
558.39203	1.4
575.39539	16.4
585.38141	1.8
609.37390	1.5
651.38916	1.8
669.39362	2.0
687.40570	1.9
701.04675	1.5
790.39703	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.1
56.05023	0.1
63.22171	0.1
67.05470	0.1
70.06593	9.6
72.08163	0.6
76.68751	0.1
77.03947	0.1
79.05481	0.3
81.07072	0.2
83.04974	0.1
83.28706	0.1
84.08133	0.2
85.02885	0.3
86.09705	0.3
87.90865	0.1
89.35099	0.1
91.05476	1.0
93.07011	0.1
95.04966	0.2
95.08578	0.2
97.06528	0.3
98.97564	0.1
103.05437	0.2
104.06259	0.1
105.07044	2.1
107.04980	0.1
115.05445	0.2
116.06290	0.1
116.07088	2.0
117.07004	0.2
118.06545	0.1
119.08572	0.1
120.08110	0.2
130.06517	0.8
132.08099	0.9
133.08875	5.8
137.05986	0.2
144.08058	0.2
146.09636	0.2
147.04411	0.2
148.11211	100.0
149.11571	1.0
151.03893	0.1
159.09181	1.2
161.09633	0.2
167.07027	0.9
170.05959	0.8
173.05974	0.2
177.05515	0.1
181.04961	0.4
193.08670	0.2
213.12343	6.8
225.13869	0.1
228.06590	0.3
239.11774	0.2
245.09203	0.9
256.14325	0.2
259.09711	0.2
262.15512	1.6
284.13889	0.2
290.15005	8.5
291.15207	0.1
361.22311	0.5
375.12250	0.1
382.17548	0.3
389.21838	11.0
390.22092	0.4
399.20325	1.6
416.14783	0.1
417.15451	0.7
446.24359	0.2
481.18835	0.1
516.30255	0.1
530.27753	0.1
531.30762	2.1
547.30267	4.9
558.27563	0.2
575.29785	15.4
576.30023	0.7
668.17017	0.1
672.34949	1.5
787.41949	0.9
792.07227	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	786.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
55.05510	19.9
56.05036	4.6
57.03445	15.3
57.07075	2.7
57.24800	1.8
58.06591	2.9
60.04506	4.2
61.02934	13.4
62.06093	47.6
65.03934	3.1
65.51965	2.1
66.00134	2.2
67.05173	3.9
67.05511	61.4
69.03442	12.1
69.07078	18.5
70.06594	10.1
71.04990	5.3
71.07984	5.3
72.04527	19.5
73.02914	5.8
79.05501	44.0
80.05009	6.1
81.03422	35.8
81.07058	60.5
82.06592	4.8
83.04976	4.6
83.08629	13.9
84.08128	2.5
85.02914	17.1
88.07627	7.4
89.87312	2.0
91.03974	11.5
91.05485	32.8
93.07050	47.0
94.06575	3.8
95.04958	11.7
95.08603	45.2
96.08163	3.0
97.02904	16.9
97.06522	6.7
97.10172	4.7
98.06058	19.9
100.07623	4.8
105.07040	20.5
106.06625	2.4
107.04946	3.3
107.08604	25.4
109.02880	3.3
109.06522	6.0
109.10152	19.5
111.08084	3.8
112.07596	4.6
114.05483	3.4
116.07095	8.2
117.07034	5.8
119.08581	20.0
121.06525	2.5
121.10152	22.9
123.11712	7.1
124.07572	4.2
125.09608	2.9
126.09208	3.0
127.03963	5.1
129.07027	4.9
131.08611	10.9
133.10132	12.4
135.11717	8.8
137.09724	2.4
138.12793	3.3
145.10123	5.5
147.11705	5.7
149.09589	6.6
149.13223	5.2
157.10139	4.3
159.11699	3.2
161.13164	4.0
173.13330	5.2
175.11205	4.4
182.15453	7.0
193.12238	12.3
210.14914	73.0
226.17982	11.5
228.15996	27.6
236.16467	12.0
243.21082	3.9
254.17554	23.8
261.22156	15.1
267.15958	61.7
272.18610	3.5
284.18491	8.6
302.19586	19.7
320.20636	6.2
328.20984	4.7
335.25806	71.1
346.22266	6.1
346.38480	2.3
481.91034	2.2
527.37451	32.1
545.38141	17.5
562.40997	19.8
580.42096	29.8
606.43695	85.0
607.44202	4.6
724.46484	3.1
742.46838	7.6
768.48999	100.0
769.48999	5.5
786.50043	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	784.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
55.19707	0.3
56.05031	0.6
67.05492	1.3
68.05024	0.4
69.07062	0.9
69.65511	0.4
70.65395	0.6
70.65759	0.5
71.08624	1.4
79.05472	0.7
80.69128	0.3
81.07049	1.2
86.09705	100.0
87.10032	0.4
89.63455	0.3
91.03919	0.6
91.05486	0.9
93.07044	1.1
93.78305	0.3
95.08606	1.3
98.09699	1.4
98.20827	0.5
103.05470	1.0
105.07024	1.1
107.08595	0.4
110.09680	0.5
112.11249	6.7
115.43728	0.3
120.08105	42.1
131.08612	0.4
132.08113	0.7
133.03456	0.7
146.09630	1.9
154.15907	17.6
157.13361	10.9
157.14664	0.6
161.02991	0.3
161.05949	0.3
177.69371	0.3
183.20750	0.3
185.12849	13.8
185.68227	0.3
188.14348	6.7
191.11906	0.7
199.18053	16.9
209.16534	0.5
219.11351	1.0
225.19627	7.4
227.17531	14.2
233.16481	15.1
235.18129	0.7
237.15889	0.7
243.14973	0.6
244.30734	0.3
253.19106	7.1
254.93864	0.3
259.18036	2.5
261.15976	13.5
267.24323	6.5
271.14139	0.3
277.22687	0.5
280.20291	0.7
287.17532	3.1
295.23804	4.3
298.21255	8.5
301.19998	0.9
301.22836	7.4
302.20441	0.8
329.22192	4.6
332.19693	4.9
340.26047	2.8
356.23434	0.8
366.27612	2.0
374.24377	4.0
383.30151	1.7
394.44977	0.3
400.26025	3.6
408.32108	0.7
411.29730	4.2
417.28702	1.8
425.34750	0.7
442.30820	1.5
445.28076	5.0
445.78293	0.6
446.28326	0.4
453.34598	0.9
459.33383	1.3
462.30411	0.3
473.27704	0.4
479.35928	2.0
487.32852	3.0
496.38644	0.7
513.34381	3.4
524.38007	3.9
526.30701	0.9
526.80530	2.2
527.30719	1.3
527.81348	0.4
530.37079	2.5
555.39191	1.5
558.36505	9.2
572.41772	0.7
592.44281	1.2
598.42920	0.4
600.40991	1.4
609.46863	0.6
619.21844	0.3
626.42725	5.5
637.46222	2.3
643.45319	4.9
653.43597	0.9
668.47668	0.9
671.44910	17.2
672.45044	0.5
739.51239	4.4
756.53766	7.9
757.54742	0.5
766.51837	2.8
784.53296	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	784.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.25217	0.7
56.96574	0.9
57.03434	2.4
61.02920	3.0
67.05500	1.4
69.03442	8.3
69.60179	4.7
70.06608	4.0
71.04958	0.8
72.08147	1.0
73.02908	2.8
78.49780	0.8
79.05478	1.7
81.03424	5.7
81.07071	1.6
82.58536	0.8
84.04489	0.9
84.08145	1.8
85.02912	16.3
86.09698	1.6
87.04442	0.9
88.18418	0.8
91.03960	1.0
91.05464	3.6
93.07047	1.4
93.24887	0.7
95.04967	1.8
97.02888	7.0
97.06532	0.9
98.97552	0.7
99.04432	1.9
103.05481	1.8
105.07046	1.9
107.04976	2.0
109.02880	3.4
109.10130	1.4
111.04401	0.9
117.07001	1.8
118.06561	12.2
119.04927	2.9
120.08112	1.8
121.01998	1.2
121.02875	19.3
121.10161	1.0
127.03932	1.9
129.06969	4.1
130.06538	100.0
131.04982	0.8
132.08093	7.1
136.07564	0.8
143.07335	2.7
144.08096	36.3
145.02898	1.1
145.04973	1.0
147.04404	2.7
154.06525	2.2
156.08112	12.9
160.07611	5.4
163.03937	2.9
165.01869	0.8
168.08076	1.6
172.07585	42.1
174.09157	31.1
177.01817	1.0
185.05937	1.0
189.01878	2.7
189.05414	1.2
190.08646	82.0
191.03401	3.1
191.08910	1.3
199.03963	1.3
201.01869	0.8
201.05460	1.1
203.03363	4.8
207.02928	1.8
209.04355	0.9
213.05447	1.6
217.04922	2.8
219.02962	1.1
221.04366	1.1
229.05090	1.3
231.02930	0.9
232.09694	1.0
255.03040	1.4
267.06555	1.3
268.07227	1.0
269.04477	1.1
271.06183	1.2
273.63708	0.8
279.06491	1.2
280.07318	1.0
281.08151	1.6
283.06021	12.0
284.06711	1.1
286.63690	0.9
287.05621	0.8
288.06616	1.5
293.08203	1.9
294.05203	4.5
295.06030	24.3
295.09442	1.7
296.06671	1.8
297.07565	2.7
300.06662	1.2
304.65341	0.8
307.06036	24.6
307.09576	1.8
308.06775	3.5
309.04272	0.8
309.07562	24.0
310.08197	0.8
312.13077	1.4
313.07050	7.1
318.07803	0.8
319.05896	2.1
320.06757	1.9
321.03879	1.5
321.07574	16.2
322.08289	2.2
323.05698	0.9
323.09006	3.9
325.07062	11.8
333.07608	3.0
335.05527	1.3
335.09137	8.2
337.07065	38.4
338.08124	1.1
339.08640	5.8
345.07651	1.4
347.09320	5.4
349.07031	9.1
349.10825	1.5
351.08698	5.4
355.08139	9.3
355.15317	1.8
356.15536	1.9
361.07062	5.5
363.08563	6.1
365.10327	1.1
367.08124	13.7
369.09732	2.2
373.07043	1.7
375.08679	4.8
377.10120	1.5
379.08035	7.3
381.09631	2.0
385.09421	8.7
387.08597	2.1
391.08118	8.1
393.09885	5.0
397.09100	3.2
403.08160	7.6
405.09729	1.6
409.09189	14.9
415.10297	13.4
417.09393	1.3
421.09268	4.8
422.10260	1.1
423.10797	4.1
424.11783	3.9
427.10294	2.5
429.19232	1.2
433.11481	7.8
435.10666	1.9
436.11856	9.0
438.13434	3.7
439.10193	7.9
441.12177	1.1
451.10275	4.7
453.11649	2.6
454.12598	1.0
457.11182	5.8
462.13602	1.0
466.12830	3.2
468.14236	1.2
469.11359	6.9
471.12851	4.4
478.13049	1.6
484.13727	1.9
487.12396	19.4
490.12848	2.0
492.14340	2.3
502.15033	5.2
508.13889	1.5
517.13171	1.4
520.13776	1.9
522.15131	2.6
526.15192	2.3
532.13678	1.6
534.15686	1.2
538.14343	1.7
547.13934	1.4
550.14862	2.5
552.16486	1.5
556.15863	2.7
568.15668	2.3
570.17957	1.0
571.14911	1.5
583.14825	0.8
586.16675	2.8
601.15411	1.1
604.17963	10.6
613.14905	1.6
631.16577	1.2
664.20581	1.5
766.23651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05501	1.3
57.03456	1.5
57.03674	0.4
61.02926	4.5
65.77922	0.3
67.05498	3.9
69.03423	3.1
69.07059	1.2
71.00948	0.7
71.01319	0.5
71.04990	0.7
73.02922	3.7
75.11505	0.3
79.05492	2.6
81.03415	2.8
81.07056	5.0
83.04953	0.4
83.08620	0.6
85.02906	5.1
87.04487	0.5
91.03959	2.8
91.05476	2.5
93.07043	3.9
95.04957	0.6
95.08607	3.4
97.02895	4.0
99.04464	1.1
101.02387	1.6
103.03915	0.4
105.07015	1.7
107.08600	1.8
109.02885	1.0
109.06538	0.5
109.10171	1.1
117.07050	0.4
119.08583	1.4
120.46472	0.3
121.10156	2.1
123.11810	0.3
124.64443	0.3
127.03929	1.1
131.08569	1.0
133.10121	1.5
135.11760	0.7
145.10139	0.3
146.21428	0.3
147.11679	0.8
149.09674	0.9
149.13301	0.5
185.04234	0.7
193.12312	1.0
203.05243	0.4
243.08458	1.9
283.15176	5.1
297.28510	0.3
335.25732	0.7
417.95703	0.3
501.23019	6.2
519.29321	7.1
779.45502	100.0
780.45966	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	779.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.0
57.03439	3.2
61.15488	0.3
65.03962	0.6
67.05511	14.8
69.03437	0.6
69.07084	3.8
71.57388	0.8
78.30336	0.3
79.05495	7.3
81.07059	13.6
83.04988	0.8
83.08614	1.4
85.06511	0.4
89.06471	0.4
90.71178	0.4
91.05485	3.7
93.07047	8.6
95.04971	0.7
95.08615	11.3
100.68449	0.4
105.07021	2.4
107.08598	4.3
107.60784	0.3
109.06503	0.4
109.10162	3.9
111.08087	0.4
117.07050	0.6
119.08595	1.7
121.10154	3.2
123.08096	0.4
123.11718	0.6
131.08574	1.5
133.10120	1.2
134.98196	39.0
135.11685	1.4
145.10147	0.9
147.11653	1.0
152.99295	0.4
173.13240	0.4
176.00877	1.0
178.28008	0.4
186.69006	0.5
207.71945	0.4
209.01965	1.2
209.11484	0.4
248.38535	0.5
271.85703	0.4
333.20325	14.2
333.24203	0.8
335.25809	7.9
344.22256	0.6
345.22476	0.5
357.23981	7.6
442.20425	0.9
443.20248	0.9
445.19498	0.9
467.21567	0.6
469.23288	100.0
470.23596	1.7
649.44543	1.2
761.43439	1.0
779.44708	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.7
65.62601	1.0
67.05512	2.0
69.07050	1.1
70.06596	2.6
71.57185	2.4
79.05499	2.5
81.03451	1.3
81.07061	1.9
85.02942	1.6
86.09689	1.2
90.07034	0.9
91.05507	2.0
93.07067	1.6
95.08633	1.4
97.02905	1.1
97.06546	1.9
101.00939	1.1
105.07025	1.7
106.43407	0.8
107.08632	1.7
109.10178	1.9
127.03950	1.5
129.10298	0.9
137.05956	5.5
147.04491	2.0
159.08095	1.0
161.03064	1.6
167.07066	2.9
171.04961	1.1
211.11932	1.7
245.06392	2.1
246.88002	1.1
271.06247	1.4
289.05222	4.7
296.12247	0.9
319.24866	5.1
321.22812	2.1
331.25272	2.8
337.26053	1.8
349.26102	5.8
361.26013	1.3
367.27618	1.1
373.26065	2.1
389.92169	1.1
391.27048	2.1
409.27951	1.1
493.31662	2.1
511.32394	53.7
512.32849	1.2
529.33295	18.1
553.33234	4.3
568.63916	1.0
571.34210	2.1
597.33014	2.9
615.33588	2.3
691.38544	3.9
733.39600	19.0
777.38812	100.0
778.38568	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	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11945	1.1
55.01861	3.8
55.05515	15.5
57.03441	17.4
57.07062	1.6
61.02898	1.2
65.03919	3.1
67.05510	51.9
69.03424	3.4
69.07069	11.0
70.07558	1.9
70.07947	3.1
71.04994	3.5
78.52703	1.2
79.05492	39.7
81.03422	76.6
81.07061	53.1
83.04987	7.5
83.08622	21.4
85.02905	1.8
85.06538	2.7
91.05485	30.0
93.07048	42.1
95.04968	24.6
95.08611	35.5
97.02892	1.7
97.06535	3.4
97.10184	7.4
99.08121	1.4
105.07034	22.2
107.04952	8.5
107.08593	25.6
109.06534	3.7
109.10161	19.5
111.08099	8.0
117.07015	5.2
119.08598	19.5
121.06525	3.4
121.10147	20.0
123.04397	1.7
123.08064	4.1
123.11706	5.8
125.09635	4.0
129.07030	9.0
131.08575	14.1
133.06506	3.2
133.10144	14.7
135.11685	9.3
137.09607	2.5
137.13301	2.1
142.07813	1.6
143.08585	2.1
145.10138	11.6
147.08008	2.7
147.11690	12.0
149.09630	4.8
149.13263	7.5
151.14670	1.1
157.10126	10.0
159.11719	5.2
161.09616	1.6
161.13205	5.6
163.11200	2.5
163.14810	2.6
165.12727	2.2
171.11668	2.9
173.13249	4.7
175.11212	8.1
175.14932	3.4
181.99309	1.1
183.11633	1.3
185.13264	2.0
187.14780	2.6
189.11206	2.6
193.12241	22.7
195.11340	1.1
201.16318	1.5
211.13269	1.3
225.14900	4.1
227.12714	6.0
235.13234	3.0
243.21098	6.6
249.14816	1.8
250.41122	1.2
261.22159	19.0
267.15924	100.0
273.14828	1.5
277.14249	1.4
279.23209	2.1
285.16861	1.4
301.14413	1.9
301.25305	6.6
309.17010	4.1
317.24622	2.2
319.78149	1.3
335.25818	86.9
336.26099	2.5
337.16473	2.7
359.25912	1.5
416.83173	1.2
421.25858	4.0
435.27173	2.7
435.32678	3.2
449.28793	1.3
453.33701	8.7
467.21289	3.7
468.21683	2.5
471.34811	3.5
509.36172	2.2
527.37366	70.3
528.37750	1.7
545.38391	56.9
559.40143	3.4
569.38049	4.7
623.39429	2.0
635.39386	2.0
653.40155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.0
55.05511	100.0
57.03428	7.0
57.07047	2.7
59.05004	11.1
60.08144	6.0
65.03933	2.1
67.05506	97.1
69.03419	6.8
69.06770	2.1
69.07074	21.7
71.01343	7.4
71.04986	7.0
71.57381	2.3
73.02924	5.3
79.05487	34.4
81.03428	20.3
81.07062	43.7
83.05001	14.1
83.08622	36.8
85.02908	32.1
85.06551	3.4
86.09711	29.4
87.04458	13.0
91.05482	23.9
93.07056	20.2
95.04969	8.7
95.08617	13.3
97.02888	6.8
97.06527	5.5
97.09541	4.0
97.10172	82.6
103.03920	3.7
105.07039	11.7
107.04937	6.5
107.08586	29.4
109.06525	5.3
109.10156	64.9
111.04422	5.1
111.08048	4.7
119.08590	15.4
121.06499	3.2
121.10130	7.6
122.24946	2.2
123.08058	6.5
125.00025	22.1
125.09630	82.5
127.03878	2.7
129.07028	3.4
131.08574	8.0
133.10121	5.5
135.08023	3.2
135.11655	10.2
137.09566	5.0
143.10683	6.5
145.10176	12.9
147.08009	3.1
147.58418	2.1
153.12727	7.1
155.10643	15.1
157.10130	3.3
157.12270	9.8
163.11192	25.4
173.09605	4.6
173.10089	3.7
173.11754	58.5
175.11241	2.1
181.12206	4.6
184.07347	92.7
187.13303	5.6
191.10632	11.4
193.12265	6.4
199.13173	4.3
203.03908	1.9
209.11737	21.4
211.13234	3.2
223.13298	2.0
225.14827	2.3
227.12802	12.7
278.04681	2.0
756.54309	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
55.05299	2.9
55.05511	31.5
57.03428	6.8
57.07073	7.4
60.08173	3.4
64.36613	3.4
65.03939	6.1
67.05507	90.7
69.03423	14.1
69.06768	3.3
69.07073	30.7
70.44649	2.9
71.04997	5.7
71.57429	2.8
71.57811	3.1
79.05071	4.2
79.05499	75.6
81.03433	19.2
81.06586	4.6
81.07063	92.6
83.04996	5.8
83.08630	19.5
85.02911	14.8
85.06515	5.1
86.09707	15.6
91.05487	66.9
93.06475	5.8
93.07047	100.0
95.04970	14.6
95.08613	74.8
97.02883	8.0
97.06515	4.4
97.10161	7.5
98.98461	3.7
99.04462	3.9
99.08076	4.1
105.07033	68.1
107.04956	4.7
107.08599	49.5
109.06505	3.5
109.10153	30.5
111.04460	4.4
111.08101	4.3
115.05453	3.4
117.07021	33.8
119.08588	64.2
121.06548	3.6
121.10151	57.7
123.08086	3.4
123.11704	11.1
125.00016	10.0
125.09587	3.9
127.03825	3.4
128.05220	3.0
128.06142	4.7
129.05511	3.9
129.07008	18.6
129.45816	2.9
131.08569	52.0
133.10129	54.5
135.08078	4.1
135.11693	38.5
137.09637	4.8
141.07019	6.6
142.07817	4.3
143.08563	30.8
145.06459	4.5
145.10126	41.3
147.11696	40.4
149.09666	5.3
149.13297	23.9
155.08522	12.9
157.10124	25.3
159.08026	5.7
159.11699	36.0
161.09590	4.2
161.13271	20.3
163.11136	5.1
163.14737	9.0
165.12791	3.5
169.10164	17.3
171.08055	3.2
171.11667	24.4
173.13258	26.1
175.14827	13.1
179.08571	4.3
181.10123	3.3
183.11687	13.3
184.07362	60.3
185.07675	6.6
185.13229	19.7
187.14822	10.9
189.12715	5.5
195.11636	9.0
197.13210	15.5
199.14815	11.2
201.16414	4.5
209.13237	8.4
211.11134	3.4
211.14734	6.4
213.16451	7.4
225.16371	4.0
227.18048	4.1
231.21112	5.0
239.17726	3.2
241.19514	16.3
248.53757	3.5
257.18954	8.2
259.20584	40.0
261.22141	17.1
271.20648	6.2
273.22159	3.8
277.21573	4.2
301.21548	10.2
311.25891	5.4
313.21735	4.8
321.22250	3.2
321.26038	3.2
333.24271	4.1
335.25616	5.8
339.22903	3.4
345.45200	3.2
349.21112	5.8
351.25385	57.1
363.25140	4.8
367.22470	20.2
375.25342	11.5
385.23758	12.8
387.25113	6.7
401.15762	3.1
403.24710	12.2
421.25827	11.1
441.26392	27.1
459.27029	5.8
537.43335	3.6
601.44897	3.8
611.46490	9.8
681.46906	5.1
737.49725	9.4
755.50946	18.0
761.46643	4.2
773.52563	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.5
55.05516	16.0
57.03435	2.4
57.07082	7.0
59.05008	2.2
61.02916	2.8
61.66901	1.7
65.03944	2.0
67.05177	2.2
67.05508	28.3
69.03431	10.2
69.07072	49.5
70.06577	5.6
71.04980	5.2
71.08626	4.2
71.56702	2.3
71.57087	1.8
79.05500	17.7
81.03422	7.4
81.07062	100.0
81.12328	1.3
83.04974	3.3
83.08619	21.8
84.04478	1.5
85.02909	20.0
85.06536	6.0
86.09702	1.8
87.00846	7.7
89.06049	2.7
91.05479	8.7
93.07048	36.2
95.04967	3.8
95.08613	84.3
97.02883	8.0
97.06537	6.4
97.10179	13.5
98.97570	1.8
99.04462	1.8
99.08083	1.6
105.01875	11.3
105.07024	14.5
107.04960	1.4
107.07870	1.9
107.08598	31.6
109.02848	5.7
109.10161	61.4
110.10519	1.7
111.04465	2.9
111.08076	8.4
111.11717	11.9
115.05452	1.5
119.08581	11.1
121.10148	26.3
123.08046	1.8
123.11720	49.3
125.09622	1.9
125.13248	5.8
127.03931	13.4
129.01819	1.5
130.08739	1.4
131.08580	2.1
133.10126	7.6
135.08121	1.6
135.11703	29.5
136.07536	1.5
137.13266	25.0
139.11185	7.5
145.04948	5.0
147.04401	2.3
147.11731	11.7
149.13275	32.4
151.11208	1.6
151.14803	6.0
153.12737	10.3
155.14296	9.7
157.04854	1.4
157.10188	1.4
161.13235	6.6
163.03937	1.6
163.14841	25.7
165.12717	3.7
165.16370	4.3
167.14316	3.3
177.16385	13.5
179.17952	4.0
183.13815	3.3
189.16414	4.5
191.18018	7.9
203.17979	6.4
205.19511	2.6
209.18997	2.0
217.19489	7.0
218.41496	1.3
231.04990	4.9
247.24260	3.7
249.06039	4.8
261.25793	2.5
273.25793	40.0
279.26816	6.0
291.26834	71.7
309.27905	46.2
309.31165	1.4
327.29010	9.9
381.27792	2.5
417.29816	1.7
503.29721	2.9
525.20905	1.9
611.88000	1.6
644.75854	1.7
772.41034	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	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
55.01984	0.8
55.05355	4.6
55.05659	5.1
57.03281	1.6
57.03602	2.0
59.04846	0.7
59.47305	0.6
59.99572	0.6
61.02757	6.1
61.03116	5.6
65.03816	0.7
67.05323	9.3
67.05737	6.4
69.03247	3.3
69.03682	2.3
69.06886	4.9
69.07317	3.3
70.99081	0.6
71.01230	0.7
71.04850	1.1
71.57736	0.9
73.02730	4.1
73.03177	2.2
79.05296	6.3
79.05818	3.1
81.03217	2.1
81.03737	1.1
81.06849	11.2
81.07393	4.5
83.04824	1.5
83.08407	3.4
85.02699	7.7
85.03271	3.1
85.06353	0.8
87.04293	0.6
91.03735	4.9
91.04359	1.5
91.05264	7.4
91.05900	2.5
93.06821	9.7
93.07483	2.8
95.04771	1.3
95.05321	0.8
95.08385	11.0
95.09062	3.3
97.02676	6.9
97.03345	2.0
97.09972	1.4
97.10521	0.6
99.07912	1.0
99.08519	0.8
101.02193	1.4
101.02769	0.7
105.06792	9.3
105.07571	1.9
105.90734	0.6
107.04786	0.9
107.08355	6.3
107.09133	1.3
109.02722	0.7
109.06350	0.8
109.09917	5.1
109.10719	1.2
111.07890	1.0
115.05266	0.8
115.57580	0.8
116.06036	0.7
117.06773	5.9
119.08333	9.1
119.09246	1.7
119.27768	0.6
121.09893	5.3
121.10828	0.8
123.11435	2.0
127.03638	1.9
128.05969	2.0
128.06834	0.8
129.06750	6.4
129.07777	1.2
131.08298	9.2
131.09375	1.5
133.09871	5.7
133.10953	1.0
135.07831	0.6
135.11414	3.5
141.06718	3.0
142.07573	1.7
143.08289	8.6
145.04781	1.0
145.09839	7.5
147.11424	4.4
147.12660	1.1
149.13069	1.5
153.06799	0.7
155.08263	8.1
156.09100	0.9
157.09850	10.4
159.11415	5.8
161.12975	3.0
165.06764	0.9
166.07532	0.9
167.08282	3.0
168.09134	1.4
169.09851	9.7
171.11397	7.4
173.12973	4.6
175.14571	0.8
178.07607	0.7
179.08339	1.5
181.10098	4.5
182.10606	0.8
183.11682	9.1
185.12959	5.0
187.14510	2.5
189.16113	1.3
193.09877	1.8
193.11514	0.8
195.11389	5.9
196.12187	0.9
197.13263	7.0
199.14523	3.6
201.16135	0.7
203.17758	0.8
207.11749	3.5
209.13268	5.6
211.14784	3.9
213.16096	2.2
219.11536	1.4
221.12953	2.7
223.14809	4.0
225.16090	2.6
227.17839	0.9
229.19374	0.8
233.13057	1.2
235.14558	1.4
237.16371	3.0
239.17776	1.5
241.19376	1.0
247.14717	0.8
249.16185	1.5
251.17647	1.9
253.19446	0.8
263.17664	0.9
265.19205	1.0
279.20981	1.3
311.23370	0.9
323.23438	1.7
336.25879	1.1
337.25043	1.5
345.73053	0.7
349.25034	1.2
351.26852	0.9
365.28500	1.2
391.29947	0.8
429.31329	1.0
439.32159	0.8
447.32480	1.1
449.33884	0.8
499.39642	0.8
501.35898	0.8
513.35736	1.0
517.40533	6.0
521.36017	1.0
535.41394	2.4
539.37408	1.9
541.38867	0.9
545.38031	1.7
546.38336	0.8
573.42639	1.0
591.44189	7.3
607.43274	1.3
609.45142	100.0
610.45453	4.2
611.46515	1.0
633.44946	0.9
701.41711	0.8
717.47180	0.9
735.48529	1.3
753.49591	1.7
771.50635	21.1
772.51703	0.9
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
55.01876	1.7
55.05517	22.5
56.96558	1.7
57.03436	4.2
57.07074	3.9
61.02913	1.4
65.03938	2.1
67.05508	42.9
69.03429	6.0
69.07075	19.5
71.04996	3.0
71.57433	2.5
73.02901	2.0
79.05498	27.9
81.03420	7.5
81.07066	40.3
83.04984	4.2
83.08630	9.4
85.02911	5.5
86.00816	1.3
91.05486	26.9
93.07052	27.1
93.44558	1.3
95.04984	4.2
95.08618	34.9
95.09239	2.0
97.02914	4.1
97.06548	5.3
97.10177	5.1
99.04496	2.2
99.08119	1.9
102.92640	2.0
105.07035	23.0
107.04999	2.2
107.08601	16.3
109.02874	2.4
109.06554	2.2
109.10168	13.7
111.04470	2.8
111.08082	2.1
115.05518	3.8
117.07027	14.4
118.92109	2.0
119.08594	24.2
119.09378	2.4
121.06529	2.8
121.10151	13.2
123.04457	1.8
123.08102	2.4
123.11743	2.4
125.09711	1.6
127.03947	4.2
128.06287	4.4
129.05536	2.1
129.07024	16.8
131.08571	23.6
132.75929	1.3
133.10138	15.5
135.08092	2.0
135.11681	6.5
136.93089	7.7
141.07016	8.2
142.07793	3.7
143.08572	22.6
145.06468	1.7
145.10149	23.1
147.11678	9.6
149.13322	3.4
150.94804	5.4
154.07819	2.9
154.94185	8.8
155.08562	21.0
156.09422	2.0
157.10139	23.3
159.11694	13.3
161.13275	5.2
165.07030	2.9
167.08589	7.5
168.09355	2.8
168.95753	20.2
169.10136	22.8
171.08139	1.6
171.11696	16.7
172.95319	5.8
173.13278	11.0
175.14853	3.4
177.95903	1.6
179.08638	4.9
180.09280	1.9
181.10158	13.1
182.10965	1.6
183.11717	20.4
185.13300	13.1
186.96800	41.9
187.14900	5.6
189.16458	2.1
190.96330	1.6
191.08577	1.5
191.97260	2.2
193.10229	5.5
194.10931	2.2
195.11690	14.5
197.13242	15.6
197.14705	1.4
199.14771	7.1
201.12746	1.7
201.16519	3.3
203.17926	1.7
204.97885	15.7
205.10246	2.5
207.11728	6.8
209.13245	12.9
209.14969	1.7
209.98361	7.3
210.96823	5.1
211.14841	10.3
213.16458	6.2
215.18088	2.0
221.13351	6.1
223.14807	8.4
224.98401	6.9
225.16400	6.7
226.99968	2.9
227.18037	4.0
227.99489	2.9
228.97961	4.2
233.13248	2.8
235.14915	5.7
237.16525	4.6
239.18007	3.1
241.19592	3.1
242.99344	6.5
248.00024	1.8
249.16455	5.0
251.18086	3.8
253.19609	2.4
255.21231	2.6
258.79736	1.6
259.14661	1.6
261.00189	1.4
263.18106	2.6
267.21194	2.1
295.12512	1.4
307.20764	2.2
309.22302	1.8
311.19208	1.9
323.23758	1.9
325.25177	1.5
332.22458	1.3
339.26913	1.6
340.96585	1.5
349.25046	1.4
351.26675	3.3
363.26929	1.8
405.17081	2.8
443.18893	4.1
447.18243	14.5
461.19821	28.3
479.20926	3.9
488.20953	1.5
502.22534	4.0
515.39270	3.9
517.40558	7.9
532.07538	1.5
535.41925	2.5
545.38568	4.2
591.44098	3.4
607.43280	2.8
609.45093	14.9
625.42731	2.3
643.43579	3.1
661.44653	5.4
679.45984	8.6
699.45337	1.9
717.47571	5.0
735.48566	7.2
736.91919	1.5
753.49390	17.1
771.50519	100.0
772.50690	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	771.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.2
57.38596	0.2
61.08142	0.2
70.80787	0.4
85.02932	0.4
90.01538	0.1
91.05511	0.2
97.02895	0.2
98.97586	0.2
100.03378	0.2
103.30712	0.1
107.13558	0.2
131.04861	0.1
136.23071	0.1
140.34448	0.2
151.82365	0.2
152.45201	0.1
167.07011	0.2
185.04240	1.7
189.05278	0.3
197.01108	0.2
213.11246	0.2
219.01767	0.2
219.06290	0.9
234.08636	7.1
235.09418	6.0
296.00223	0.2
313.11209	0.3
334.11917	0.2
352.76178	0.2
366.12985	0.4
367.13617	0.3
394.13333	0.2
397.14700	100.0
398.15097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.05260	1.8
55.05514	21.8
57.03441	8.7
57.07084	9.0
62.69955	1.0
67.05511	9.1
69.07073	31.8
71.08631	6.6
79.05494	7.1
81.07059	12.1
83.04984	2.1
83.08624	24.7
85.10181	3.8
91.05482	2.5
93.07049	6.9
95.04967	1.5
95.08628	7.9
97.06543	4.3
97.10172	21.2
105.07045	6.0
107.04947	1.7
107.08601	8.8
109.10170	3.4
111.08099	1.8
111.11739	4.5
113.00024	52.9
117.07002	1.4
119.08542	2.2
121.10107	5.1
125.09658	3.0
131.08548	2.4
133.10147	3.5
135.11707	4.6
141.58989	1.1
145.10155	1.7
147.11716	1.9
149.09651	1.4
149.13245	1.7
153.09103	1.3
158.21178	1.0
159.11705	1.5
169.02615	53.5
187.03665	4.1
203.12732	6.2
237.22147	5.0
257.18985	2.2
275.20056	14.4
289.21707	2.8
295.59119	1.0
307.22665	13.9
311.25809	100.0
312.26080	2.2
405.24054	13.3
537.85657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05499	2.6
56.96548	1.9
57.03432	1.4
65.03936	1.7
67.05488	3.5
69.03426	5.5
69.07069	24.7
70.06583	2.9
71.04980	2.7
71.57045	1.2
72.08156	1.3
73.02914	1.2
73.06540	1.3
77.03986	0.9
79.05481	2.5
81.03418	7.6
81.07055	4.5
83.04990	1.0
83.08631	0.8
84.08119	1.1
85.02910	10.4
85.06513	0.7
86.09715	1.5
87.00837	1.2
87.04462	2.4
89.06036	26.8
91.05469	5.8
93.03408	1.2
93.07014	1.4
94.04194	2.0
95.04939	2.9
95.08607	4.0
97.02891	4.3
97.06551	1.9
98.97558	2.2
99.04448	1.5
103.05473	25.4
105.07023	2.3
106.87283	0.7
107.04934	3.0
109.02879	2.0
109.06502	1.8
109.10149	1.5
111.04428	2.2
111.11726	8.9
113.05997	3.3
115.05453	2.6
116.98625	0.8
117.07014	2.6
117.09136	1.3
118.04135	2.8
119.04935	5.3
119.08580	1.1
120.08110	1.1
121.06493	1.4
122.03663	4.8
123.04417	1.9
125.05990	1.6
127.03964	5.3
129.06969	2.4
131.04930	59.4
133.06485	4.0
133.08603	15.1
135.08038	1.7
137.05983	100.0
137.13246	1.2
138.06299	1.0
141.06783	0.7
143.04976	1.6
145.04938	1.4
145.06532	4.3
147.04436	10.9
148.05186	6.4
149.05957	3.6
151.03918	53.3
151.05016	3.1
151.07530	6.7
152.04550	0.8
153.05457	3.5
157.06480	1.8
158.07249	1.0
158.99634	1.0
159.02831	0.8
160.05141	2.2
161.06001	4.7
162.06769	2.0
163.07549	76.4
165.05460	2.1
167.07066	8.6
173.05989	2.5
174.06775	1.3
175.07564	11.7
176.04662	1.2
177.05458	4.8
177.09070	1.7
177.11256	5.4
179.07069	10.3
181.04942	11.1
181.08551	1.3
187.07550	5.0
189.05310	1.1
189.09090	3.7
190.06320	1.2
191.07034	63.0
192.07521	0.8
193.04950	1.6
193.06604	0.9
193.08533	1.5
199.07556	1.3
203.07031	4.1
205.06783	1.3
205.08617	12.3
209.08038	2.3
215.06947	1.7
217.08554	2.6
219.08260	1.4
219.10210	2.0
221.08003	1.1
221.13866	1.6
223.09972	0.9
233.05959	0.9
233.08101	1.8
235.09610	6.3
237.09125	2.0
241.08691	1.3
241.12860	0.8
243.19533	2.7
245.07942	1.2
249.09184	1.3
259.09558	1.5
263.09195	11.5
265.08325	1.1
265.10818	6.5
267.09900	0.8
275.09006	0.9
277.08374	0.9
291.10254	0.9
294.08810	0.8
295.09409	0.9
297.11163	1.0
299.12769	2.4
309.11160	1.3
327.12131	2.9
329.13953	1.9
337.10648	1.5
339.12436	1.1
341.12582	3.0
351.12323	0.9
353.14142	1.0
355.11884	5.9
357.13422	1.4
359.14981	1.0
369.13312	2.7
371.14890	3.9
371.22534	4.6
385.16486	2.3
387.14423	22.6
388.14069	0.9
462.05017	0.8
481.33737	31.2
499.34607	2.4
517.18451	6.6
519.19128	1.0
521.21484	1.2
524.27618	2.2
541.28503	1.3
542.28241	2.4
549.21014	4.4
551.22583	1.6
722.34497	3.1
764.34796	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01873	0.7
55.05508	0.8
56.96558	0.8
57.02641	0.4
57.03434	1.6
59.05001	1.1
61.02930	4.6
62.03504	0.4
67.05508	3.1
69.03419	2.8
69.07076	0.9
70.06592	0.9
71.04991	2.0
71.56767	0.7
73.02915	3.3
73.19607	0.4
79.05494	3.9
80.69067	0.4
81.03422	5.8
81.07061	3.7
83.04985	1.3
83.08617	1.6
85.02908	4.5
85.06527	0.6
87.04494	1.1
91.03964	1.9
91.05477	3.5
93.07056	3.4
95.04985	1.8
95.08621	1.8
97.02910	3.5
97.06526	1.2
97.10156	0.5
99.04491	1.1
101.02391	1.3
103.03995	0.5
105.07030	3.3
107.04980	1.1
107.08594	2.1
109.02898	0.9
109.06538	0.6
109.10167	1.2
111.08094	0.5
115.03976	0.4
119.08612	2.0
121.10190	2.5
123.08156	0.7
123.11706	0.7
127.03940	1.1
128.75880	0.5
129.07034	1.0
130.93333	1.2
131.08588	2.3
133.10100	2.4
145.04959	0.6
147.08057	0.5
147.11728	2.0
149.09634	3.4
157.10179	1.5
163.11223	0.4
175.11244	1.5
185.04332	0.5
193.12283	2.7
197.15413	0.5
202.28127	0.4
203.05328	1.1
211.13406	0.5
225.14935	1.0
241.11259	0.7
243.08417	2.5
259.12241	0.8
267.15955	2.3
283.15155	6.6
284.15701	0.5
302.17120	0.4
339.14337	0.5
339.17789	2.8
417.68246	0.5
451.20227	0.6
462.18936	0.5
469.20679	0.7
489.18384	3.8
501.23099	30.6
507.19751	2.2
530.21216	0.7
533.17291	4.7
550.81677	0.5
551.18445	3.1
574.20166	0.8
599.34265	0.9
761.39325	100.0
762.40002	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
62.62774	0.6
67.05497	1.5
71.57919	1.1
79.05489	0.8
81.03426	0.7
81.07069	1.0
81.08028	0.6
95.08611	0.8
107.08598	0.8
120.84823	0.6
126.75812	0.6
161.07814	0.7
174.95094	0.7
238.38734	0.7
311.43933	0.6
395.19211	0.7
463.60074	0.8
535.26642	0.8
656.13531	0.8
698.08411	0.7
761.38715	100.0
762.39148	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01869	8.2
55.05516	86.3
55.47330	1.9
57.03433	5.9
58.35564	2.1
59.04987	6.6
60.10196	2.1
65.03947	2.2
67.05507	100.0
69.03415	6.5
69.07073	21.3
69.43143	9.6
69.43571	8.3
71.01341	6.5
71.04991	2.8
73.02902	4.6
79.05499	36.7
81.03428	15.1
81.07060	48.5
82.04180	2.3
83.04984	15.8
83.08150	2.7
83.08623	37.3
85.02911	25.3
85.06541	5.9
86.59469	2.4
87.04482	14.6
89.45626	2.1
91.05482	21.4
93.07037	23.7
95.04962	7.9
95.08628	17.7
96.25146	2.1
97.02924	2.9
97.06522	2.8
97.10172	70.6
105.07027	10.1
107.04967	3.8
107.08593	29.7
109.10168	58.8
111.04452	2.9
111.08060	6.0
117.07039	6.2
119.08594	11.2
121.10118	7.4
123.08055	3.2
125.09635	72.7
129.07013	2.8
131.08585	8.4
133.10086	3.6
135.08028	2.8
135.11694	8.6
137.09660	4.9
141.09105	2.5
143.10681	7.4
145.10124	8.0
147.11617	2.7
149.13260	8.3
155.10664	10.6
157.10207	2.3
157.12247	9.5
159.11687	6.6
163.11194	11.0
173.09566	2.9
173.11751	49.0
177.12674	3.8
181.12164	3.1
184.07355	4.6
187.13237	10.9
191.10747	6.3
193.12238	11.3
195.13809	21.5
196.06807	2.5
199.13274	3.7
209.11726	8.4
213.14767	3.2
225.14926	2.9
226.18010	3.9
227.12854	5.4
227.16473	8.6
291.65369	2.6
409.87842	3.3
530.42200	2.3
579.17651	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	758.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01871	7.6
55.05515	14.5
57.03451	9.4
57.07072	3.7
61.02925	3.5
65.03950	3.9
67.05513	71.7
69.03423	3.5
69.07077	13.7
71.05019	4.3
71.42806	2.3
71.43137	1.6
79.05502	63.2
81.03405	10.5
81.07066	63.4
83.04988	17.9
83.08627	7.3
85.02890	6.3
85.06557	5.3
86.09720	1.7
86.82773	1.7
89.08482	1.6
91.05487	38.8
93.07052	60.2
95.04977	10.9
95.08057	3.0
95.08624	43.3
95.09232	2.2
97.06538	12.1
97.10168	3.6
105.07030	17.6
107.04961	27.2
107.08601	33.6
109.06549	4.2
109.10166	19.1
111.04450	19.7
111.08092	7.0
114.40910	1.6
117.07030	15.7
119.08592	20.2
121.06503	4.9
121.10161	40.3
121.40905	1.9
123.04456	1.9
123.11732	4.8
125.05989	3.3
125.09664	2.2
129.07004	7.4
131.04945	4.1
131.08574	16.9
133.10146	10.4
135.08081	4.0
135.11710	35.8
139.07559	1.7
143.08606	3.3
144.05704	1.9
145.06522	5.6
145.10143	40.0
147.08066	3.2
147.11708	7.4
149.09624	6.9
149.13316	4.3
153.12770	11.3
155.08539	9.9
159.11728	6.2
161.13272	5.0
163.11195	35.7
163.14862	3.4
166.22420	1.8
171.11751	2.8
173.09648	21.6
173.13245	6.3
181.12268	15.0
184.07346	2.4
187.14864	2.4
188.63458	1.8
191.09489	1.6
191.10750	19.8
209.11754	12.6
227.12787	15.8
243.21164	2.9
259.20703	3.7
261.22168	16.8
265.14386	34.9
267.16351	2.0
283.15417	81.9
301.16495	63.9
317.24756	2.6
335.25833	100.0
451.31915	5.2
469.33279	5.5
515.37323	9.5
525.35992	11.1
543.36920	68.4
544.37292	3.6
561.37878	83.9
562.38208	4.0
590.86987	2.1
597.15198	2.0
645.24628	2.0
758.41339	3.7
759.43262	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	758.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01876	7.9
55.05511	47.8
57.03188	1.8
57.03437	20.0
57.03867	1.1
57.07051	1.4
59.04988	5.2
59.13378	1.1
60.48381	1.1
61.02927	17.8
65.03954	1.6
67.05505	100.0
69.03431	8.3
69.07066	15.8
69.24535	6.9
69.24962	4.1
70.06584	1.1
71.01328	2.3
71.04995	6.7
73.02906	7.2
75.04474	1.9
79.05067	1.7
79.05495	27.8
81.03423	16.9
81.07059	33.0
83.04982	12.5
83.08612	19.6
83.72993	1.3
85.02907	41.2
85.06514	4.2
87.04065	1.0
87.04474	10.5
91.03959	13.8
91.05486	15.1
93.07047	13.8
95.04952	4.9
95.08602	14.9
97.02893	15.6
97.06520	6.4
97.10173	39.2
97.86339	1.2
99.04443	2.4
99.08083	1.6
103.03959	15.8
105.07030	6.7
107.04958	5.7
107.08595	20.8
107.55904	1.1
109.02823	2.0
109.06498	2.5
109.10155	84.8
110.10531	1.2
111.04445	7.5
111.08109	5.7
113.06041	1.3
117.06998	4.5
119.08588	9.6
121.06503	1.8
121.10160	6.4
123.08069	3.8
125.09629	42.8
127.03927	7.1
129.05519	2.3
129.06941	2.8
131.08539	3.5
133.10127	1.7
135.08067	1.3
135.11705	7.4
137.09596	3.9
139.11159	1.2
140.83676	1.1
143.10683	8.0
145.04973	6.4
145.10100	9.1
147.07982	2.0
147.11646	2.0
149.09598	1.6
153.12738	12.3
155.08582	1.3
155.10646	10.8
159.06508	1.5
163.06036	8.8
163.11192	17.8
164.11586	1.2
173.04449	3.5
173.09589	3.0
173.11751	33.0
175.11145	1.5
181.12213	10.0
189.11220	3.9
191.10696	9.1
191.41039	1.2
193.12279	4.9
199.13264	10.7
209.11725	19.9
211.13234	1.3
217.14354	4.5
227.12770	21.4
229.14352	81.1
230.14764	1.4
245.13951	6.0
257.13858	32.3
267.15909	2.8
273.16968	1.4
283.15384	35.0
286.28415	1.1
301.16455	65.5
319.17532	12.6
399.23718	4.1
404.43185	1.2
463.21799	2.5
469.14938	3.6
483.16083	1.5
543.28186	2.0
561.29132	1.8
616.21326	1.4
645.25092	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	757.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
57.03432	1.8
57.07076	2.0
57.15359	0.7
57.15645	0.6
61.02929	4.9
67.05507	2.2
69.03428	2.2
69.07064	1.3
69.73939	2.5
71.05010	1.6
71.08633	1.3
73.02921	2.9
79.05499	2.4
81.03417	3.3
81.07066	2.6
83.08612	1.6
85.02912	3.8
85.10187	1.0
87.04473	0.8
88.25610	0.6
91.03959	2.9
91.05466	2.3
93.07035	1.7
95.08606	1.8
97.02901	3.9
97.10191	0.9
101.02410	1.1
105.07013	1.1
107.08620	1.3
109.10231	0.7
111.08116	0.8
115.03962	0.7
119.08593	1.3
121.10191	1.3
127.03893	1.2
131.08589	1.0
133.10170	1.0
149.09639	1.2
177.87570	0.6
184.07416	2.3
185.04178	1.0
193.12320	1.2
243.08391	2.1
267.16010	1.0
270.91534	0.7
283.15341	2.5
284.42325	0.7
313.27585	1.4
354.02518	0.8
383.29239	0.6
497.30756	7.0
501.23080	12.8
501.30341	1.0
530.11108	0.7
601.24500	0.8
660.25598	8.6
661.24792	0.9
757.47083	100.0
758.47174	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	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.6
53.03946	3.4
53.41946	1.0
55.01863	3.8
55.05515	18.7
57.03439	10.5
57.07075	1.3
59.05005	1.6
61.02925	4.1
65.03928	1.5
67.05508	45.8
69.03419	2.2
69.07072	9.7
71.04979	2.6
71.57246	1.2
71.57674	1.3
79.05495	30.2
81.03406	3.1
81.07058	47.6
83.04979	3.9
83.08618	12.4
85.02891	2.6
85.06532	1.3
89.05059	1.0
91.03976	1.3
91.05483	28.5
93.07046	39.5
95.04976	3.4
95.08607	31.5
96.12048	1.1
97.02903	4.9
97.06528	4.2
97.10159	2.9
99.00820	10.9
99.04444	1.4
99.08097	1.7
105.06369	2.0
105.07030	19.3
107.04969	5.3
107.08598	20.7
109.02873	8.3
109.06493	2.6
109.10162	16.8
111.08066	3.2
115.03933	3.1
117.07058	5.6
119.08583	14.9
121.06533	7.1
121.10147	14.2
123.04477	2.1
123.08100	1.9
123.11723	7.1
125.09634	1.2
127.03935	2.9
128.06305	1.1
131.08577	8.6
133.10135	33.2
135.08034	1.7
135.11694	7.9
135.20497	1.0
137.05983	1.6
137.13229	1.2
139.07550	1.8
143.08571	4.6
145.10155	4.2
147.08075	1.3
147.11705	4.8
149.13309	6.3
151.11188	9.1
157.10077	1.4
159.11719	4.3
161.09622	16.0
161.13284	3.5
163.14821	2.9
171.08060	3.4
173.13243	3.6
173.66650	1.1
175.14825	1.9
177.16356	1.2
179.10658	7.6
184.07335	1.1
186.96768	1.2
187.14803	3.4
189.09087	6.5
197.11729	2.7
207.10094	2.8
225.11220	12.7
227.12746	1.0
243.12277	2.7
243.21028	5.0
259.20609	1.3
261.22165	16.8
281.13846	3.1
299.14893	82.9
300.15417	1.3
315.23154	2.4
317.24744	3.4
335.25806	100.0
336.26089	2.4
449.30780	1.8
467.31384	3.5
513.35376	2.6
515.37665	1.3
531.36572	2.0
541.35474	7.9
544.10016	1.1
559.36359	50.3
560.36444	2.4
564.32373	1.3
577.37543	1.9
631.79633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03857	2.1
55.01778	2.8
55.02079	1.2
55.05409	9.7
55.05711	3.1
57.03334	5.5
57.03649	1.9
61.02840	1.5
67.05392	14.1
67.05794	2.9
69.03318	2.3
69.06957	3.8
69.68779	1.2
69.69193	2.8
71.04876	2.6
71.29112	0.6
71.77711	0.6
79.05367	16.9
79.05879	2.4
81.03294	38.8
81.06928	16.1
81.07446	2.3
83.04851	3.7
83.05388	1.1
83.08491	13.5
83.09037	1.7
85.02819	1.3
85.06438	1.8
91.05347	13.9
93.06904	11.9
93.07542	1.6
95.04835	17.3
95.05486	1.7
95.08469	7.0
97.02803	1.6
97.06396	3.3
97.10032	13.3
97.10695	1.3
99.04369	0.8
105.06887	12.8
107.04807	12.5
107.05616	1.2
107.08450	9.8
109.02779	1.2
109.06375	8.3
109.10012	6.3
111.04357	1.4
111.07939	3.6
111.15816	0.6
115.05387	1.3
117.06873	4.9
119.04848	1.3
119.08425	9.1
121.06355	8.7
121.10151	7.3
123.04317	1.4
123.07922	3.5
123.11593	1.9
125.05901	0.8
125.09635	13.2
125.10444	0.8
129.07005	6.3
131.04846	1.7
131.08568	10.9
133.06490	5.2
133.09970	4.7
135.07903	4.7
135.11618	1.6
137.09451	2.0
139.11066	1.0
141.06815	0.8
142.07645	2.1
143.08394	2.9
143.10503	1.1
145.06505	5.7
145.10144	4.2
147.04271	2.2
147.08049	4.7
147.11667	5.7
149.09616	5.2
151.07474	0.8
153.08948	3.1
155.08417	2.1
157.06367	1.4
157.10149	6.6
159.07957	1.7
159.11594	1.8
161.05864	1.7
161.09476	1.7
163.11185	3.6
165.08920	2.0
165.12637	1.4
167.08437	0.8
167.10582	1.2
169.06322	1.1
169.10037	1.4
171.07953	1.3
171.10091	1.3
171.11526	1.6
173.09451	2.3
173.11652	0.7
173.13055	1.8
175.11227	6.0
177.12637	1.4
181.09972	1.1
183.11473	0.8
185.09497	1.2
185.13159	1.3
187.11108	1.4
187.14726	1.1
189.11200	7.6
189.12694	1.7
191.10522	0.9
191.14233	0.9
193.12242	15.9
195.11581	1.6
197.09552	0.9
197.13130	1.4
199.11040	2.1
199.12830	0.9
201.12624	0.7
205.12247	3.2
211.11180	1.1
211.13179	1.6
213.12598	2.1
215.14259	1.5
217.12093	1.7
219.13696	2.1
223.13145	2.2
227.12607	3.1
229.14299	0.8
231.13699	1.9
233.15384	5.4
235.13229	1.4
237.12601	1.9
237.14772	0.9
241.12126	0.8
241.14227	0.9
243.13811	1.0
249.14714	1.7
255.13730	1.3
259.13144	1.5
263.16229	0.8
267.15921	38.5
273.14734	6.4
273.17065	0.9
275.16333	0.7
283.16891	1.1
285.16858	1.5
293.17490	1.6
299.16336	0.9
311.06110	0.8
317.15900	1.0
339.23181	3.1
349.21466	6.2
357.24155	3.1
367.22656	12.0
385.23764	20.9
403.24808	7.8
423.25418	1.3
441.26453	10.0
459.27426	100.0
460.27722	3.0
477.28494	92.7
478.28833	2.8
491.30072	11.1
501.28299	2.4
509.31348	5.0
513.28564	1.0
541.33099	1.2
567.29755	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05512	8.2
57.03444	2.6
57.06834	0.3
57.07080	4.1
62.37891	0.3
63.42627	0.3
67.05518	1.6
68.28224	0.3
69.07070	11.1
70.07044	1.1
71.08636	2.7
79.05486	1.0
81.07063	2.2
81.83229	0.3
83.08141	0.5
83.08620	10.3
85.10179	0.7
91.05469	0.4
93.07043	1.3
95.08607	2.2
97.06529	0.8
97.10173	7.5
107.08589	1.0
109.10177	0.9
111.08078	0.3
111.11751	2.3
121.10151	1.1
123.11734	0.4
125.09592	0.4
134.98192	37.9
135.11697	1.2
137.13272	0.3
139.11176	0.3
149.13190	0.5
176.00865	0.8
184.07431	0.3
209.01985	0.6
270.95566	0.3
311.22171	0.5
311.25821	9.1
312.26205	0.3
315.19235	0.4
333.20432	15.2
333.24063	3.5
351.25101	0.4
385.23810	0.3
409.50644	0.3
445.23306	100.0
446.23492	1.6
545.38037	0.4
671.32532	0.3
755.44946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01876	2.6
55.05516	12.8
56.05029	4.1
57.03431	2.9
57.07070	3.1
59.60841	1.2
61.02920	2.9
65.03948	1.8
67.05508	39.3
69.03413	5.1
69.07072	35.9
70.06580	2.9
71.04983	5.7
71.08623	2.0
71.57052	1.5
79.05503	20.6
81.03403	4.9
81.07063	69.7
83.04944	2.3
83.08630	18.6
84.04513	59.1
84.08116	1.9
85.02910	19.1
85.06554	3.5
87.00812	5.6
89.06010	1.7
91.03959	3.0
91.05487	28.5
93.07055	56.5
95.04983	4.4
95.08614	71.0
97.02901	9.2
97.06525	3.6
97.10186	7.4
99.04465	3.2
102.04868	1.4
102.05548	34.0
105.01878	12.6
105.07036	81.5
107.08601	57.4
109.02883	4.3
109.06509	2.7
109.10166	87.2
111.08076	2.0
111.11729	2.3
113.09641	5.4
117.07008	5.2
119.08589	54.2
121.10153	41.5
123.11716	24.0
125.09597	3.7
127.03906	8.8
130.05003	30.8
131.08496	6.4
133.08585	2.0
133.10135	35.9
135.11699	36.4
137.09642	2.3
137.13222	7.3
143.08554	3.6
145.04968	5.0
145.10114	13.5
147.04457	1.9
147.11696	37.2
148.04878	1.8
148.06061	38.6
149.13264	11.1
157.10153	4.6
159.11725	9.0
161.13266	47.8
163.14883	1.8
171.11653	4.3
173.13251	3.6
175.14848	14.5
185.13260	2.2
187.14864	2.8
189.16422	5.4
199.14801	4.3
201.16380	5.4
202.17410	1.3
203.17868	2.0
205.15891	4.1
213.16370	3.8
217.19543	55.2
227.17921	2.4
231.04987	6.6
249.06139	9.1
269.22644	10.1
275.23672	5.1
293.24762	19.1
366.26392	2.6
390.26434	2.0
394.29596	2.1
408.27411	7.8
422.28992	14.0
426.28525	3.2
440.30115	100.0
441.30499	2.3
458.30679	3.0
570.33521	1.8
588.33429	3.3
654.19855	1.7
719.27472	1.5
743.35187	1.6
750.36688	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	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05517	1.1
57.03448	2.2
57.07078	1.0
59.04995	0.3
61.02931	6.1
62.13747	0.3
67.05511	6.6
69.03430	3.3
69.07075	1.5
71.04990	1.9
71.93953	0.3
73.02924	4.2
79.05500	3.7
81.03431	2.4
81.07065	4.1
83.04979	0.5
83.08634	1.3
83.93207	0.3
85.02912	5.8
85.06551	0.3
87.04469	0.6
91.03973	3.5
91.05492	2.2
93.07050	4.3
95.04980	0.6
95.08607	4.1
97.02908	4.6
97.06541	0.5
97.10168	0.3
99.04470	1.1
101.02386	1.9
104.09626	0.4
105.07037	1.6
107.08616	1.9
109.02870	0.7
109.06573	0.6
109.10172	3.4
117.07037	0.3
119.08606	1.4
121.10138	2.1
123.08131	0.5
127.03941	1.7
131.08620	0.8
133.10141	1.3
134.08804	0.3
135.11668	2.1
137.09657	1.2
137.44185	0.3
145.10101	0.5
147.11739	0.7
149.13336	0.4
157.10094	0.5
161.13373	0.5
173.11801	0.4
173.13263	0.4
179.75905	0.4
185.04230	0.5
193.12311	0.4
195.00342	0.7
203.05371	0.5
209.11617	0.3
243.08392	2.0
253.14081	2.0
261.06186	0.3
267.16043	0.7
309.16678	0.5
313.27509	1.0
327.26566	1.1
335.25897	0.5
408.87906	0.3
439.19705	0.5
471.21927	4.1
487.34219	0.4
491.30109	1.7
519.29364	7.6
659.36090	0.5
749.44464	100.0
750.44666	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	748.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79397	0.6
53.03939	1.7
55.01873	2.9
55.05513	1.4
56.05025	0.8
57.03450	0.8
58.64753	0.6
65.03934	5.0
67.05499	2.7
69.03433	3.2
69.07079	1.4
70.06590	3.2
71.56954	0.7
71.57310	0.7
73.02901	0.8
75.04471	2.7
76.36070	0.7
77.03933	1.2
78.04716	2.0
79.05499	5.8
81.03426	2.0
81.07045	2.8
82.04170	1.0
83.08601	1.0
83.15771	0.7
84.08125	0.8
85.02911	5.1
85.06516	0.6
86.09729	0.9
89.03915	0.8
89.06035	1.0
91.05492	8.8
93.03413	7.2
93.07064	3.5
94.06562	0.8
95.04971	3.9
95.08610	1.1
97.02894	1.2
97.06510	3.7
97.10174	1.1
98.06041	0.6
100.03960	1.1
103.05473	16.6
105.03400	1.8
105.04551	0.7
105.07039	9.5
106.04182	11.8
107.04971	9.5
107.08576	1.1
109.02878	0.9
109.06518	1.3
109.10121	0.9
110.03663	2.1
110.07213	0.8
111.04420	1.9
111.08102	1.0
115.05482	5.6
117.03345	0.8
117.07014	4.0
118.04160	5.3
119.04906	2.3
119.08561	1.4
120.05745	1.1
120.08130	0.8
121.06517	15.6
122.03612	0.7
123.04417	3.1
124.05202	1.8
125.06007	7.6
128.06253	0.8
129.06981	1.7
130.04102	2.0
131.04936	17.6
131.05882	0.7
131.08565	1.2
132.05696	1.7
133.02908	1.6
133.06508	8.3
134.03653	3.5
135.04424	1.2
135.08044	1.5
137.05977	4.9
138.03140	1.3
138.06776	0.7
139.07556	2.0
142.02606	1.3
144.05699	1.1
145.02859	1.8
145.06503	4.8
146.03729	1.1
146.08159	1.3
147.04402	2.9
147.08052	1.9
148.05199	11.5
149.04776	1.5
149.05983	27.3
151.03943	1.8
151.07553	2.6
152.04666	1.4
153.05537	3.9
153.09094	6.8
155.06001	1.1
155.07135	0.9
157.06519	1.3
159.08040	2.0
160.05153	1.5
161.05991	9.4
162.01337	1.2
163.03915	2.7
163.07558	19.1
165.05505	2.0
166.06239	1.0
167.07056	58.6
170.08073	0.8
171.06496	2.9
172.06105	4.2
173.05980	4.7
175.07556	2.0
176.04713	2.4
177.04158	0.7
177.05478	18.5
177.09138	1.4
179.06961	2.1
181.04968	67.1
181.08533	15.1
182.05376	1.1
187.07547	2.9
191.07039	91.9
192.07568	2.1
193.04900	2.0
193.08629	2.7
195.06544	4.8
201.05415	1.1
203.07062	2.0
205.08646	2.8
207.06403	1.9
207.08307	1.3
207.10254	1.5
208.01938	0.8
209.08101	100.0
217.08572	2.2
219.10152	5.9
221.08109	1.5
223.04257	17.3
223.40213	0.7
225.07603	1.8
231.06526	0.7
233.08009	5.9
234.06779	0.9
235.07579	1.6
235.09686	5.2
236.08345	1.0
237.09061	1.2
241.08485	0.9
245.08041	1.8
263.09149	26.6
265.08630	0.8
267.10132	3.6
295.09689	1.4
297.11240	1.7
307.09561	2.0
312.09018	2.9
325.10727	4.2
327.12341	0.8
329.13879	1.2
330.09988	0.9
335.09201	0.8
337.10730	0.8
338.23322	1.0
348.21661	0.9
356.24380	0.9
357.13376	7.1
367.11707	3.0
369.13257	1.6
381.13181	0.9
384.23779	1.9
385.12836	12.4
387.14291	1.6
399.14310	3.6
402.24609	1.1
406.99374	0.7
417.15454	17.8
562.28571	5.2
587.29858	1.1
609.22980	1.1
619.24866	0.7
730.40338	5.8
748.42419	4.7
749.35577	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29330	0.3
53.03946	0.8
55.01855	0.4
55.05503	1.6
57.03446	2.0
58.14186	0.4
59.51290	0.4
61.02642	0.5
61.02934	5.3
62.63101	0.4
65.01514	0.4
67.05509	5.1
69.03440	3.0
69.07062	0.6
69.29874	3.2
71.04998	0.5
71.08612	0.3
73.02914	3.8
79.05489	3.2
81.03419	1.6
81.07056	5.1
83.08624	0.7
85.02916	5.1
87.04478	0.6
91.03955	3.3
91.05453	2.0
93.07056	3.5
94.34179	0.4
95.04978	0.5
95.08612	3.7
97.02897	3.9
97.06570	0.5
99.04446	1.2
101.02383	2.1
103.03954	0.6
105.07002	2.1
107.08589	2.3
109.02898	0.9
109.10163	1.2
115.03947	0.5
119.08594	1.6
121.10143	2.0
123.11711	0.8
127.03944	1.6
133.10147	0.5
135.11710	1.4
147.11717	2.1
165.08861	0.6
165.12758	0.6
181.19000	0.4
209.11697	0.5
215.43922	0.4
235.13278	0.6
243.08437	1.6
251.12575	1.0
261.14703	0.5
261.22137	0.4
263.12720	0.9
264.13220	0.6
304.16864	0.4
307.15189	0.4
335.26062	1.2
376.36353	0.4
387.25241	0.5
425.21283	0.4
469.20395	4.8
489.28326	2.5
518.09045	0.5
519.29315	6.7
536.31366	0.5
585.37592	0.5
703.43793	0.8
747.42902	100.0
748.43140	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.49948	1.1
55.01884	1.4
55.05513	2.5
57.03439	2.3
57.07085	1.4
61.02932	5.3
63.73145	0.9
63.86445	1.0
66.92107	0.9
67.05502	3.6
69.03436	2.0
69.07074	1.3
69.46047	5.4
69.46452	2.3
69.46756	1.1
72.06579	1.0
73.02920	3.3
75.31115	0.9
75.97339	1.0
79.05489	2.1
80.69170	1.1
81.03426	1.9
81.07059	5.4
83.08647	1.1
85.02908	5.7
91.03974	3.5
91.05513	3.8
93.07060	3.6
95.08623	4.0
97.02909	3.3
101.02391	2.3
105.07072	1.9
107.08662	1.7
112.77827	1.1
119.08620	1.4
121.10159	1.9
123.11840	1.2
127.03944	1.6
131.08521	1.1
139.45882	1.1
147.11739	3.5
162.30862	1.1
162.32245	1.1
165.08900	1.2
166.98862	1.0
170.31747	1.0
235.13049	2.0
243.08527	2.4
261.97473	1.1
263.12787	3.7
264.13470	3.2
275.16415	1.7
303.15729	1.6
312.93463	1.0
387.25180	1.3
469.20404	9.7
489.28415	8.2
519.29462	3.7
522.18152	1.1
747.42950	100.0
748.42999	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.17435	0.2
55.05515	1.6
57.03435	2.1
61.02929	5.2
67.05512	5.7
69.03436	3.3
69.07085	1.2
71.01371	0.4
71.04988	0.5
71.21746	0.5
73.02922	3.6
79.05497	3.6
81.03436	1.4
81.07059	4.7
83.04973	0.4
83.08621	0.9
85.02908	5.0
91.03967	3.0
91.05495	2.0
93.07050	4.5
95.04987	0.8
95.08610	4.4
97.02904	4.8
97.06546	0.3
97.10185	0.5
99.04462	0.6
101.02379	1.6
103.03875	0.2
105.07035	1.0
107.04940	0.3
107.08594	2.4
109.02902	0.5
109.10162	1.2
115.03946	0.3
117.07030	0.6
119.08616	1.0
121.10194	1.7
123.11740	0.3
125.09686	0.3
127.03933	1.5
131.08612	0.6
133.10168	0.9
135.11713	2.3
145.05019	0.2
145.10132	1.3
161.13284	0.3
163.11182	2.2
181.12286	0.3
185.04245	0.8
206.67444	0.3
219.10072	0.4
227.12801	1.5
231.94006	0.3
243.08440	2.0
243.76347	0.3
249.10994	13.1
250.38805	0.3
250.57288	0.3
305.13681	1.0
320.83853	0.3
335.26059	0.4
467.19006	5.5
486.25400	0.3
519.29309	9.2
730.43262	0.3
745.41345	100.0
746.41742	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05517	13.6
57.03444	7.6
57.07069	2.9
57.76331	1.0
59.05011	1.7
61.02918	3.8
63.67319	1.1
65.03931	2.3
67.05508	93.7
68.05835	1.4
69.03429	2.6
69.06737	1.1
69.07072	13.9
70.62783	3.7
71.04996	18.9
76.88711	1.0
79.05139	0.7
79.05496	33.1
81.03429	3.4
81.07064	41.9
83.04989	4.5
83.08642	8.4
83.92429	1.1
85.02915	3.6
85.06555	2.7
91.03997	1.4
91.04964	1.8
91.05494	21.2
93.07048	41.0
95.04974	3.6
95.08613	32.7
95.38812	1.2
97.02887	2.8
97.06532	3.6
97.10188	2.7
97.54680	1.1
99.08050	1.5
105.07041	11.3
107.08600	20.9
109.06517	1.8
109.10165	63.2
111.08105	3.4
117.07008	5.8
119.08578	15.2
119.50865	1.1
121.10159	18.7
123.08099	1.3
123.11683	3.0
125.09668	1.4
127.03995	1.8
131.08580	7.3
133.10150	5.8
135.07970	1.2
135.11694	14.3
137.09636	8.7
139.11182	1.2
139.92700	1.1
143.08572	1.3
145.10114	6.5
147.11681	6.3
149.13271	3.5
151.06932	1.2
155.10701	2.7
159.11713	2.9
161.13271	1.3
163.11249	2.3
163.14813	2.2
171.11650	1.4
173.11761	8.6
173.13252	3.4
181.12318	1.4
186.12810	4.3
187.14882	2.4
193.12314	1.4
202.90512	1.3
229.14404	1.3
243.15918	1.6
255.15982	4.2
261.22064	2.9
284.10443	7.3
284.23352	1.1
287.18542	17.3
335.25827	28.3
336.26096	1.7
410.20950	7.3
465.36105	1.5
471.34705	3.1
489.35773	100.0
490.36172	2.6
503.36856	2.3
515.37311	13.0
547.39972	83.9
548.40137	3.7
585.42157	1.2
715.70929	1.4
744.45984	7.1
745.41473	2.2
761.97040	1.2
765.14032	1.6
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
53.03938	2.0
55.01866	1.7
55.05267	1.1
55.05511	14.6
57.03444	10.2
57.07069	1.5
61.02920	1.8
63.98943	0.6
65.03933	1.6
65.49087	0.5
67.05506	50.9
69.03432	2.5
69.07069	16.6
71.04990	2.8
71.26919	1.4
73.02911	1.0
79.05494	27.9
81.00688	0.6
81.03439	3.0
81.07058	75.7
83.04976	5.3
83.08620	8.4
85.02888	2.2
85.06548	4.4
91.05478	24.5
93.07046	30.6
95.04954	4.2
95.08606	34.7
97.02869	1.2
97.06527	4.7
97.10155	4.1
99.04472	0.9
99.08095	3.4
101.05988	1.0
103.25200	0.6
105.04483	0.7
105.07034	26.2
107.04955	0.7
107.08595	22.2
109.06512	4.2
109.10163	13.2
109.10902	0.8
111.04479	1.3
111.08066	1.9
117.07011	3.5
119.08592	22.9
121.10143	21.9
123.08080	3.3
123.11708	20.9
125.09631	2.4
127.03887	0.9
127.07555	2.4
129.06989	1.9
131.08569	6.2
133.10149	6.6
135.08076	0.6
135.11707	8.0
137.09633	1.2
137.13242	2.1
142.07793	0.7
143.08566	0.7
145.10115	6.2
147.11693	43.1
149.09599	0.7
149.13258	5.5
153.12741	2.2
157.10114	2.1
157.18599	0.6
159.11722	2.7
161.13254	2.3
163.11159	2.3
163.14804	1.8
165.12761	17.1
166.13174	0.7
173.09688	0.6
173.11942	0.7
173.13194	3.1
175.11195	2.4
181.12227	1.4
183.13843	1.4
187.14836	1.5
191.10674	1.4
193.12219	2.7
209.11707	0.8
211.13275	1.1
227.12784	4.7
229.14381	4.2
241.14267	0.8
243.21103	4.5
261.22131	13.0
267.15921	46.6
268.16333	0.7
279.23254	2.0
284.15820	0.8
285.16968	51.9
317.24719	2.5
335.25800	100.0
336.26236	2.1
337.16568	0.6
353.26974	0.8
355.17587	1.2
385.23782	0.8
432.69391	0.6
453.34055	0.6
527.37354	4.5
543.06000	0.7
545.38379	48.8
546.38525	1.6
563.39203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01880	2.8
55.05518	11.4
57.03444	6.1
59.09600	0.9
62.63057	0.9
65.03926	0.9
67.05509	27.7
69.03426	3.8
69.07072	8.2
69.21605	5.1
69.22041	4.1
71.05000	1.6
79.05499	19.2
81.03421	18.1
81.07060	35.8
83.04995	8.0
83.08612	12.5
85.02901	7.5
85.06551	2.6
91.05482	16.7
93.07050	18.7
95.04969	8.7
95.08612	16.7
97.02884	2.1
97.06536	3.2
97.10178	4.1
99.04445	1.2
99.08088	1.8
105.07037	20.7
107.04945	2.7
107.08601	13.7
109.06524	3.0
109.10154	7.5
111.04440	3.3
111.08085	3.9
113.05997	1.3
117.05479	0.9
117.07032	3.1
119.08584	15.8
121.06489	1.2
121.10152	14.4
123.08075	2.8
123.11716	10.1
125.09637	4.0
127.03896	1.3
129.07010	3.8
131.08578	7.6
133.06543	1.0
133.10149	7.2
135.08063	1.6
135.11699	4.8
140.12685	0.8
143.08542	1.3
145.10149	4.4
147.11699	25.7
149.09673	1.7
149.13237	1.7
153.12769	1.1
157.10132	5.7
159.11722	3.1
160.49142	1.0
161.13226	1.7
163.11160	2.9
165.12759	10.1
173.13295	1.9
175.11130	5.1
181.12302	1.9
183.13826	1.5
193.12250	12.3
199.14806	1.3
200.37064	0.9
211.13304	18.4
227.12721	4.5
229.14244	4.3
241.14377	1.0
243.21327	1.3
261.22156	3.7
267.13077	1.6
267.15933	28.2
285.16968	100.0
286.17383	2.5
335.25803	20.5
336.26221	1.4
355.17487	1.6
369.24344	1.8
371.55112	0.9
387.25403	1.6
405.26544	2.0
417.26181	1.2
423.27481	2.2
471.34543	1.1
527.37140	3.7
545.38397	45.7
546.38531	1.3
767.62738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03393	1.8
53.03939	4.6
55.01875	2.8
55.05509	21.4
57.03439	10.2
65.03941	3.4
67.05505	58.6
69.03432	16.3
69.07079	17.1
71.04996	7.7
71.08265	4.4
71.08611	2.8
79.05486	39.4
81.03419	50.4
81.07056	100.0
83.04983	13.1
83.08620	19.9
85.02909	19.3
85.06551	5.4
89.17051	1.8
91.05482	43.8
93.07044	41.4
94.07364	2.1
95.04966	16.7
95.08604	46.8
97.02898	7.4
97.06539	5.6
97.10173	5.6
99.08132	4.2
105.07030	44.2
107.04976	3.9
107.08591	33.9
109.02874	12.8
109.06519	5.0
109.10158	15.8
111.08064	6.9
113.06030	3.2
117.07030	4.6
119.08572	38.2
121.06467	2.4
121.10139	39.2
123.08068	5.2
123.11707	23.6
127.03918	22.2
127.07498	3.8
129.07037	6.3
131.08575	9.4
133.10167	11.2
135.11713	11.8
137.13319	1.9
145.05003	3.5
145.09073	2.1
145.10133	8.6
147.08031	2.2
147.11690	75.3
149.09612	3.9
149.13275	4.7
157.10109	9.6
159.11681	3.7
161.13251	4.2
163.11182	5.4
163.14879	3.9
165.12752	40.5
173.13252	2.8
175.11153	9.9
183.13844	9.8
193.12245	27.6
211.13269	35.6
227.12785	5.3
228.13162	3.5
229.14357	43.3
243.21062	3.8
261.22165	14.1
267.15836	12.7
283.15448	3.5
285.16959	47.0
335.25793	59.8
336.26120	4.8
337.16492	21.2
337.26523	3.7
339.12405	2.1
353.26965	3.8
355.17514	59.1
373.18521	22.1
527.37445	4.5
543.37244	2.4
544.37091	2.8
545.38287	94.8
546.38281	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	742.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.79587	0.8
55.01882	4.6
55.05504	2.7
56.05028	2.3
57.03441	12.6
59.05006	2.1
60.04528	20.9
61.02923	3.2
65.03944	0.8
67.05511	5.1
68.05038	2.0
68.99775	1.4
69.03433	51.5
69.07063	2.0
70.06599	3.7
71.01368	1.0
71.04998	6.1
72.04513	2.0
73.02923	5.1
79.05499	2.3
80.05025	4.9
81.03423	17.0
81.07066	4.8
82.06590	2.0
83.01343	1.1
83.04993	6.8
83.79093	0.8
84.04506	2.5
84.08150	3.0
85.02911	44.3
86.06071	1.7
86.09721	1.4
87.00838	8.6
87.04466	17.5
90.05560	3.8
91.05475	4.1
93.07035	4.4
94.06577	3.7
95.04970	2.0
95.08603	3.0
96.04501	2.3
96.08155	1.2
97.02895	33.3
97.06543	8.8
98.06052	2.0
99.04465	6.9
101.02367	0.7
102.05565	1.5
103.03970	1.3
103.83510	1.0
105.01862	6.2
105.07044	2.3
106.06564	1.1
107.08601	2.5
108.08127	2.0
109.02882	15.1
109.10169	1.2
110.06047	2.0
110.09672	1.0
111.04457	4.4
114.05544	1.8
115.03958	11.4
116.07127	0.9
117.01812	1.1
119.04963	1.7
119.08576	2.7
120.08098	2.6
120.61549	0.9
121.06546	1.3
121.10175	2.2
122.06056	1.4
122.09710	1.2
124.07639	1.3
127.03921	19.5
129.01828	1.5
129.05511	3.2
131.08525	1.4
132.06575	23.0
132.08051	0.9
133.05002	3.7
133.10083	1.0
134.09689	1.4
136.07582	1.9
139.03896	0.9
145.04947	4.7
145.10161	0.9
147.04425	7.5
148.04765	2.4
159.02902	3.9
169.05005	1.5
174.07631	1.1
187.06129	1.5
187.75726	0.9
189.03990	1.3
210.18571	1.1
211.17004	2.9
218.15546	1.0
220.16905	1.1
224.20183	2.3
231.05052	2.5
237.18533	5.8
238.21854	1.5
248.16782	1.1
248.20096	2.0
250.21748	1.1
252.19476	1.2
260.20099	12.7
262.21619	5.0
266.21133	5.9
269.34860	0.8
272.20129	9.0
278.21201	2.9
290.21143	20.1
308.22229	10.4
326.23306	22.8
344.24313	27.8
362.25388	34.1
368.24506	1.8
386.25650	1.8
404.16000	0.9
404.26697	1.3
460.29532	1.0
476.28751	1.1
494.29916	2.7
504.22253	0.9
524.30658	2.0
548.30939	3.0
566.31744	10.7
592.29999	8.0
610.30737	54.4
611.30847	1.4
652.32172	1.7
656.35199	1.1
698.35712	9.2
724.33826	7.9
742.34991	100.0
743.35938	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.9
53.04130	0.4
55.01840	1.9
55.05519	9.0
57.03445	6.5
57.07069	0.7
61.02909	1.0
65.03906	1.6
67.05509	34.4
69.03391	1.4
69.07072	8.7
71.04996	2.2
73.02888	0.5
79.05499	27.0
81.03388	1.3
81.07063	32.1
83.04988	2.9
83.08630	7.0
85.02881	0.9
85.06512	1.0
91.05488	11.9
93.07052	38.2
95.04971	5.0
95.08613	40.7
96.08955	0.5
97.02882	2.8
97.06551	2.8
97.10139	1.6
98.20760	1.3
99.04444	2.8
99.08053	0.7
105.06407	0.7
105.07040	9.8
107.04957	4.3
107.08604	24.7
108.08890	0.5
108.09628	0.4
109.06489	1.9
109.09492	0.4
109.10168	7.8
111.04403	0.8
111.08010	1.0
113.09656	0.4
117.07017	7.2
119.08597	9.1
121.06533	2.7
121.10146	14.9
123.08046	0.9
123.11720	2.6
125.05929	1.4
125.09585	0.5
129.06996	0.5
130.07722	1.1
131.08577	4.3
133.10132	4.5
135.08018	1.8
135.11703	34.9
137.13223	0.8
139.07530	1.2
143.08559	0.5
145.10138	19.1
147.11687	3.0
149.13286	2.6
151.86862	0.5
153.12718	0.8
155.08646	0.6
159.11652	1.9
161.13222	1.4
163.11191	38.4
163.14809	1.5
166.77783	0.4
173.09612	0.5
173.13249	1.4
175.14856	0.7
177.16354	0.5
181.10744	0.8
181.12212	6.4
187.14796	1.1
201.16382	0.5
209.11714	1.2
221.84619	0.5
227.12796	46.0
243.21184	2.2
247.21747	0.4
261.22134	5.5
273.49283	0.4
283.15414	49.6
284.15726	0.6
307.62308	0.4
317.24741	1.5
328.43686	0.5
335.25818	100.0
336.26224	2.2
543.36847	81.4
544.36975	2.3
574.15973	0.4
631.69171	0.5
637.14856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.05513	17.7
57.07077	7.6
61.02911	1.3
61.95905	1.0
65.03936	3.3
67.05507	41.9
69.03424	4.1
69.07070	45.8
69.34776	1.0
69.98670	5.0
71.04983	1.8
71.08636	1.7
73.02893	2.1
77.03910	1.2
79.05492	23.2
80.00401	1.1
81.03419	4.9
81.07059	86.3
82.07373	1.0
83.08618	19.9
85.02909	10.9
85.06062	2.0
85.06547	26.2
86.03209	1.0
86.33649	1.1
87.00860	5.3
91.05474	27.2
93.07047	68.8
95.04972	2.7
95.08609	81.4
97.02890	4.7
97.10165	9.6
98.21440	1.4
103.05434	2.3
105.01874	10.2
105.04550	1.7
105.07034	77.6
107.08595	76.1
109.02880	4.9
109.06489	1.5
109.10159	87.7
111.11719	2.5
117.07031	8.6
119.08585	88.6
121.10150	54.6
123.07960	1.0
123.11707	35.6
127.03912	9.2
129.06929	2.0
130.07738	1.6
131.08569	22.8
133.10129	59.5
135.11697	47.4
137.13260	7.9
143.08580	3.2
144.09348	4.1
145.04987	3.9
145.10123	43.2
147.11690	59.8
149.13269	32.6
151.14862	1.2
157.10147	3.3
158.10962	1.5
159.11700	61.5
160.12358	1.6
161.13257	47.8
163.14822	28.6
163.15848	0.8
171.11664	1.3
172.12477	1.5
173.11940	2.1
173.13280	23.4
175.13297	1.8
175.14819	33.9
177.16396	12.4
185.13239	1.7
187.14839	22.2
189.16383	32.1
191.17928	3.2
201.16380	39.8
202.17113	1.7
203.17964	19.3
215.17967	48.2
216.18660	1.3
229.19545	9.0
231.05042	5.0
243.20981	1.9
249.06114	3.3
263.66397	1.2
271.24219	100.0
284.09393	1.4
302.42923	1.1
568.37354	1.3
734.35822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01863	1.1
55.02308	0.5
55.05261	0.9
55.05511	10.1
56.05035	3.5
57.07075	5.2
58.06603	1.0
60.04528	66.4
65.03947	0.6
66.11180	0.5
67.05179	0.9
67.05508	14.4
68.05032	0.8
69.03388	0.6
69.07072	12.0
69.41323	1.8
69.41742	2.8
70.06590	2.4
71.05003	0.7
71.08640	2.9
72.04512	3.6
74.06072	2.5
78.27287	0.5
79.05055	0.9
79.05492	10.4
80.04994	1.0
81.03419	3.2
81.05796	0.6
81.07059	16.6
82.06584	3.1
83.04993	0.9
83.08622	7.7
84.08147	1.0
85.02891	0.9
85.10196	1.0
86.06068	2.8
89.48481	0.5
90.05572	2.6
91.05486	8.9
93.07043	9.6
94.06573	5.3
95.04976	2.3
95.07351	1.6
95.08609	15.2
96.08122	1.4
97.06535	2.2
97.10173	4.7
98.06048	2.2
100.07633	0.8
100.69689	0.5
102.05502	0.6
105.07019	6.0
107.07349	0.6
107.08602	5.5
108.08109	0.9
109.06522	1.2
109.10148	5.2
110.09660	0.8
111.08089	0.9
111.11722	1.5
119.08588	6.6
121.10153	3.9
122.09653	1.8
123.08095	1.3
123.11691	1.9
126.09163	0.6
128.10735	0.5
133.10139	4.5
135.11700	2.7
136.11230	1.2
145.90269	0.6
147.11694	1.3
149.13310	0.8
161.13257	1.2
238.25270	1.0
245.22658	2.9
250.25404	2.1
252.26663	0.6
254.24788	0.8
262.25302	26.1
263.23660	4.5
266.24847	0.6
268.26340	0.7
272.25800	5.3
280.26358	21.5
293.21161	0.8
298.27460	8.2
314.26953	2.6
316.28540	1.8
344.28134	1.0
354.18512	0.6
516.47815	3.1
534.48810	15.1
552.49902	100.0
553.49969	3.2
570.50909	40.8
571.51385	1.9
603.45880	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	732.5624
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
51.81538	0.4
53.03935	0.9
55.01873	1.0
55.05516	7.8
56.05038	4.8
57.03418	0.8
57.07081	5.2
58.06611	0.7
60.04530	67.0
65.03949	0.9
67.05509	13.4
68.05035	0.5
69.07073	13.6
69.35686	3.9
70.06580	2.1
71.08643	3.0
72.04520	3.9
74.06078	2.8
79.05499	8.2
79.17714	0.4
80.05017	1.3
81.03421	3.4
81.05815	0.5
81.07059	15.5
82.06579	2.5
83.04980	1.2
83.08627	8.2
84.08133	1.0
85.02901	0.6
85.06592	0.5
85.10194	1.2
86.06073	3.1
90.05556	3.5
91.05486	9.2
91.06010	0.9
92.77011	0.4
93.05769	0.4
93.07047	7.8
93.52341	0.4
94.06578	4.3
95.04985	2.2
95.07355	0.8
95.08613	14.3
96.08149	1.8
97.06569	0.9
97.10184	5.2
98.06062	1.2
99.31363	0.5
100.07625	0.5
105.07036	4.8
107.08611	4.5
108.08140	1.6
108.15619	0.5
109.06510	0.9
109.10156	5.7
110.09727	0.9
111.08082	0.8
111.11726	1.7
112.07619	1.0
116.07067	0.7
119.08581	4.7
121.10149	4.9
122.09676	1.4
123.08097	0.7
123.11698	2.5
126.09120	0.4
130.50508	0.4
133.10127	5.1
135.11717	2.0
136.11186	0.8
136.18237	0.4
137.09636	1.0
139.96347	0.5
147.11708	2.3
149.13252	1.2
161.13322	0.9
175.14977	0.6
193.19444	0.5
205.64726	0.5
219.21188	0.6
233.22859	0.8
234.22290	1.1
237.21999	0.6
238.25351	0.4
245.03207	0.4
245.22615	3.7
250.25284	2.3
252.26909	0.9
254.24867	0.6
260.23782	0.6
262.25302	25.8
263.23642	5.3
263.25800	0.4
264.24136	0.5
266.24844	0.5
268.26471	1.4
272.25864	5.3
279.55518	0.4
280.26364	24.0
298.27386	9.6
314.26901	3.0
316.28491	1.9
344.28009	1.6
380.64200	0.6
504.48239	0.7
516.47766	3.0
534.48798	14.6
535.49152	0.6
552.49915	100.0
553.50000	3.9
570.50922	40.9
571.51117	2.2
603.45624	0.7
758.49518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75607	0.2
67.05505	0.7
69.03434	0.2
69.07068	0.5
70.20886	0.5
70.21281	0.5
79.17200	0.2
81.03438	0.3
81.07068	0.4
83.01108	0.4
85.02890	0.4
85.40071	0.2
93.07040	0.3
97.06520	0.2
109.10180	0.3
125.02200	0.2
127.03754	0.2
129.85715	0.2
139.03741	0.3
143.68022	0.2
147.04433	0.3
156.03935	0.3
157.04745	0.5
184.03568	0.6
185.04236	1.6
201.03731	1.3
203.05266	2.3
243.08823	0.3
257.06461	0.5
259.07883	2.9
275.07541	0.3
317.08417	0.4
319.10306	0.6
331.09860	1.4
333.20093	0.4
347.09488	2.7
359.13257	0.4
363.09027	1.0
365.10565	3.7
367.65384	0.3
376.15714	0.5
376.66049	0.8
389.23166	0.3
401.17944	0.4
407.24130	2.0
421.13135	2.7
431.18915	1.4
437.12939	0.4
457.20642	0.9
471.22177	1.0
483.22122	0.5
487.21378	0.4
493.15210	1.8
507.16974	0.7
521.18451	0.3
535.20361	0.5
541.29865	0.4
551.27814	0.5
563.23456	0.4
569.29340	13.8
570.29309	0.4
593.24182	0.7
633.27417	0.5
645.27441	0.6
731.34570	100.0
732.34998	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	731.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07740	0.1
55.05508	0.2
67.05489	0.2
67.89559	0.2
79.05505	0.2
81.03413	0.3
81.07064	0.2
81.43520	0.2
85.02895	0.4
93.07063	0.2
95.08666	0.2
97.02921	0.2
107.08607	0.2
109.10188	0.2
111.96595	0.2
147.04422	0.4
155.02002	0.2
179.17017	0.2
185.04228	1.0
201.03714	0.3
203.05292	1.6
253.12961	0.5
259.07904	1.7
259.09961	0.2
293.13773	0.2
295.15131	0.3
305.08331	0.4
309.16812	0.3
315.17670	0.2
327.12088	0.4
327.62222	0.2
331.10025	0.6
333.20239	0.4
347.09540	1.6
363.08881	0.3
365.10574	4.0
376.15652	0.4
376.66043	0.2
389.22916	0.4
407.24161	2.3
421.13153	1.7
431.19110	0.4
457.20493	4.1
471.22043	5.5
472.22375	0.2
487.21417	1.1
493.15421	0.6
569.29333	17.1
570.29944	0.5
619.25793	1.3
620.25964	0.2
633.27209	1.5
649.27081	0.3
717.06067	0.2
731.34595	100.0
732.34937	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	731.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.03437	0.6
63.87567	0.5
67.05496	1.0
69.03446	1.3
69.07062	1.0
70.06599	1.2
71.56433	0.6
71.56806	0.6
78.79832	0.6
79.05495	1.1
81.03426	1.2
81.07065	2.2
83.08611	0.7
85.02924	1.2
91.05489	1.1
93.07020	1.0
95.01102	0.6
95.05009	0.8
95.08656	0.8
97.02893	1.0
97.06544	1.0
102.90300	0.5
104.26374	0.5
107.08581	0.7
109.10153	1.3
119.04910	0.5
147.04416	1.6
163.03990	0.7
163.11217	0.6
184.03448	0.9
185.04320	1.6
193.12317	0.9
193.14630	0.5
201.03703	1.0
203.05327	1.4
208.63986	0.5
259.07742	2.5
317.08551	1.0
319.09988	0.9
331.10013	1.5
333.20346	0.6
347.09503	3.3
362.85873	0.6
363.09006	1.0
365.10495	3.5
407.24100	3.0
421.13440	2.2
431.19174	1.4
437.13086	0.6
487.21249	1.0
493.15286	1.6
499.21793	1.8
501.23315	0.7
569.29327	18.5
641.31573	2.0
661.26764	0.9
680.93207	0.6
713.32825	1.4
731.34607	100.0
732.33948	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	731.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	4.0
61.02929	0.9
62.02800	0.5
66.41889	0.5
67.05515	1.0
69.03460	0.9
70.67908	1.6
73.02941	0.6
79.05497	1.3
81.03412	1.0
81.07047	1.7
84.96049	0.9
85.02903	0.8
91.05490	1.4
92.06145	0.5
93.07050	1.1
95.08600	0.9
97.02905	0.6
98.97591	7.2
105.07045	0.8
107.08596	0.5
109.10149	1.0
110.97569	2.7
112.99136	2.2
115.02820	0.5
116.98624	2.5
119.05025	0.6
119.08544	0.7
124.99127	0.8
128.98616	1.8
131.00177	5.9
140.00241	0.9
141.18011	0.6
143.00194	1.6
146.99681	1.2
147.04504	1.3
149.01234	4.4
158.99693	3.9
161.01167	1.1
167.02312	1.3
170.99654	3.5
173.01288	0.9
177.00769	2.8
185.01271	0.6
189.00792	3.0
191.02316	1.5
199.02734	0.8
201.00742	1.0
203.02304	1.5
209.91983	0.6
217.03848	1.5
219.01802	1.5
227.01894	0.7
237.02824	1.3
261.02924	1.4
275.04456	0.8
279.03922	2.5
293.05392	5.3
311.06467	2.1
315.16315	1.7
321.04868	4.2
327.26556	1.4
333.17285	3.7
351.18356	1.4
356.18771	0.8
431.19336	0.8
437.09830	2.4
455.10709	9.7
471.21970	0.9
493.61462	0.6
501.23184	0.8
516.44318	0.7
555.24463	1.3
569.26556	1.3
731.32318	100.0
732.32245	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	730.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.11045	0.6
55.01870	1.2
55.02736	0.6
55.05520	4.2
56.05025	1.8
56.98574	0.7
57.03443	4.5
58.06586	0.7
61.02929	22.9
64.79379	0.9
67.05505	5.5
69.03436	14.5
69.07069	2.5
69.51085	4.5
69.51470	1.5
70.06599	5.8
71.01379	1.2
71.05003	2.7
73.02921	9.7
76.46140	0.7
79.05493	9.1
79.06853	0.7
80.05016	1.5
81.03423	27.7
81.07063	10.4
82.06572	0.9
83.04993	5.4
83.08627	7.7
84.04507	6.1
84.08159	2.1
85.02907	27.3
86.06071	34.9
86.09746	1.1
87.04469	25.5
91.03963	13.8
91.05483	6.7
93.07059	7.5
94.06562	1.1
95.04980	11.8
95.08611	4.9
96.08135	1.9
97.02898	16.8
97.06544	5.0
97.10202	1.2
97.31342	0.7
98.06061	27.2
99.04475	3.0
101.02400	1.9
102.05564	2.0
103.03977	0.7
104.07113	32.2
105.07032	4.8
107.04977	2.8
107.08604	3.2
107.31231	0.8
109.02859	1.4
109.06532	1.4
110.09651	0.7
111.04442	1.8
111.08113	3.9
112.07607	10.2
115.03975	1.3
117.07029	1.2
119.04945	0.8
119.08603	3.5
121.06538	0.8
121.10130	7.3
122.06124	1.2
123.04503	1.3
123.08024	1.3
124.07588	3.6
126.05516	6.6
126.09231	0.9
127.03918	5.5
128.02197	0.8
129.07039	3.3
129.10222	1.2
131.08577	5.5
133.06497	1.0
133.10135	3.8
135.11714	0.9
136.07610	2.1
137.09657	0.9
138.05534	1.1
138.09210	1.7
138.12794	2.5
139.11211	1.6
140.07111	2.4
142.08664	3.5
145.04993	2.9
147.08069	1.3
147.11716	3.8
148.07619	2.1
149.09633	22.1
149.13382	0.8
154.08650	2.0
157.10089	4.9
158.08165	7.3
159.11705	1.5
163.06035	2.2
163.07385	0.8
163.11263	1.0
164.85741	0.9
165.12828	3.1
166.12337	1.9
167.10748	1.2
167.56470	0.7
175.11212	7.3
177.12785	2.2
182.15434	2.1
182.96898	0.8
184.13376	4.4
193.12251	27.7
194.15326	0.8
195.13879	1.7
204.64853	0.8
206.15433	2.1
210.14914	6.1
211.13313	4.2
212.16470	1.1
224.16519	2.6
234.15004	2.3
240.15811	0.9
242.97160	0.8
250.18121	1.9
250.75578	0.8
252.15941	18.5
252.18494	0.9
260.16473	4.3
267.15900	11.5
268.19180	1.8
278.17465	9.1
285.16977	40.1
286.20251	1.7
296.18665	4.0
301.40985	0.8
302.19678	2.8
309.17014	3.7
314.19708	1.1
326.19574	1.5
327.18130	1.0
333.73792	1.0
342.22870	1.5
344.20642	15.5
352.21701	0.9
360.23935	1.0
362.21768	23.1
362.25992	1.6
363.17975	1.2
370.22198	6.9
388.23306	57.5
389.24136	1.2
393.19144	1.6
430.24280	1.1
506.26416	1.0
524.26996	7.3
532.27490	1.4
550.28638	37.8
551.28363	1.0
638.58423	0.9
686.32336	1.5
694.32935	0.9
712.33881	100.0
713.33917	4.6
730.38477	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	730.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01870	1.7
55.05510	3.4
56.05025	2.4
57.03438	4.7
58.06588	0.7
60.93765	0.7
61.02931	22.2
62.26603	0.6
67.05505	7.3
68.05038	1.4
69.03432	14.4
69.07063	2.2
70.06594	5.9
71.04984	3.5
71.38853	1.1
72.04507	1.0
73.02918	8.9
79.05489	7.6
80.05014	1.5
81.03422	30.5
81.07059	12.3
82.06583	1.7
83.04995	4.8
83.08623	8.2
84.04507	5.5
84.08150	1.5
85.02910	23.8
85.58482	0.6
86.06071	36.4
87.04472	27.8
91.03961	14.6
91.05473	6.4
93.07049	9.6
94.06583	1.6
95.04969	8.7
95.08603	5.7
96.04496	0.6
96.08168	1.7
97.02894	17.5
97.06535	4.6
97.10185	0.9
98.06058	29.2
98.97594	1.0
99.04474	2.8
101.02375	1.8
102.05542	1.8
103.03970	1.1
104.07110	35.7
105.07007	4.6
107.04970	2.2
107.08613	3.0
108.08111	0.8
109.02855	1.3
109.06551	1.1
109.10169	0.8
110.06071	0.9
110.09621	0.6
111.04473	1.1
111.08082	4.5
112.07610	11.1
114.05542	0.8
115.03948	1.9
117.07019	0.8
119.08579	4.4
121.06497	1.1
121.10139	7.5
122.06055	0.9
123.08063	1.1
123.11735	1.5
124.07584	3.5
125.09658	0.9
126.05508	7.2
126.09152	1.7
127.03913	4.7
129.07001	2.1
130.08652	0.6
131.08580	5.8
133.10155	3.2
135.08125	0.7
135.11740	1.2
136.07492	0.7
137.09731	0.7
138.09178	1.8
138.12782	2.5
139.11176	1.4
140.07071	2.8
142.08632	3.7
145.02908	1.4
145.04993	3.7
145.10126	0.8
147.04451	0.9
147.08110	1.3
147.11690	4.3
148.07581	1.9
149.08418	1.3
149.09618	23.9
149.13272	1.0
154.08615	2.1
157.10144	5.1
158.08124	5.0
159.11620	0.9
161.02444	0.6
163.06052	2.6
165.12794	2.5
166.12326	2.6
167.10727	1.4
175.11208	7.3
177.05515	1.8
177.12779	2.0
182.08153	0.8
182.15475	1.8
184.13391	4.1
189.05608	0.7
192.13928	0.9
193.12247	32.6
194.15437	1.2
195.13857	1.6
206.15413	3.5
210.14931	8.2
211.13344	4.9
212.16557	1.0
219.01816	0.8
224.16499	2.8
234.14879	3.4
235.13312	0.8
237.02693	0.9
240.16064	0.8
248.16379	0.6
250.18129	2.5
252.15950	19.2
253.16129	0.5
258.17181	1.0
260.16461	6.0
260.97281	0.6
266.12509	0.8
267.15924	16.7
267.18585	1.1
268.19159	2.5
270.17090	1.5
278.17505	12.9
278.20428	1.1
284.18536	1.0
285.16968	36.6
286.20096	1.0
288.18018	1.1
296.18585	5.2
302.19589	1.0
309.17017	4.1
314.19553	3.1
319.10559	0.9
326.19702	2.7
338.67899	0.6
342.22714	0.8
344.20651	13.9
344.24734	0.7
351.18152	0.9
352.21292	1.6
361.11551	1.2
362.21732	23.1
363.17969	1.8
369.32877	0.7
370.22250	12.7
388.23294	57.6
389.23676	1.7
393.18906	1.0
405.10880	0.7
430.24442	0.8
488.25345	0.7
506.26172	1.1
523.33844	0.7
524.27057	6.3
532.27704	2.8
550.28601	44.9
551.29285	1.4
568.29309	0.7
628.96466	0.7
634.30219	0.6
686.32294	2.2
694.32831	2.7
712.33875	100.0
713.34216	5.4
730.35394	3.5
739.40790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01873	8.6
55.05511	38.4
57.03432	7.7
57.07078	7.4
58.12255	1.2
65.03914	1.3
67.05175	2.3
67.05508	28.9
67.81306	1.2
69.03425	2.2
69.07069	31.8
69.92855	4.4
71.08624	5.3
79.05494	39.3
81.03442	7.4
81.07059	33.1
83.04979	11.9
83.08623	23.4
85.02931	1.3
85.06535	2.4
85.10183	1.7
91.05486	23.6
93.07043	32.5
95.04990	5.9
95.08052	1.5
95.08612	17.8
97.06527	11.9
97.10174	23.2
105.07034	25.9
107.04955	16.8
107.08594	34.9
109.06503	2.8
109.10151	13.7
111.08080	4.5
111.11700	2.4
112.99319	1.6
113.00028	27.5
117.07034	8.8
119.08588	19.4
121.10150	13.0
123.08083	3.2
123.11692	4.2
125.09626	23.1
129.06972	1.3
131.08572	10.6
133.10126	19.2
135.08069	9.3
135.11702	6.6
137.09654	2.3
143.08525	2.4
145.06517	1.4
145.10112	9.6
147.11673	12.1
149.09636	28.0
149.13239	4.9
151.11116	2.2
153.09116	9.3
157.10117	2.0
157.12227	2.4
159.11691	8.9
161.13263	2.4
163.11203	2.4
163.14859	2.2
167.10609	1.9
169.02618	24.4
169.10109	2.8
169.12212	2.8
173.13258	3.6
177.12714	5.5
179.14284	4.1
183.11671	1.6
187.03513	1.5
187.11183	2.4
187.13301	3.4
187.14801	1.4
191.14253	2.1
195.13992	1.3
201.12825	1.4
203.12784	51.5
205.12166	1.6
209.15343	10.9
219.17422	2.4
229.19537	3.5
239.17972	2.9
247.20528	2.0
255.15834	1.6
257.19070	10.8
275.20068	100.0
276.20383	2.0
289.21515	3.0
307.22687	47.9
311.25827	34.5
336.17593	1.2
405.24228	2.2
450.78195	1.5
729.42291	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	729.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85616	0.3
51.40919	0.3
51.89633	0.4
55.01870	0.4
55.05512	0.6
56.96551	0.6
58.88623	0.3
61.02926	0.9
65.65849	0.3
67.05502	1.7
69.03414	1.0
69.07066	0.9
71.05003	0.5
71.56731	0.4
73.02911	0.6
79.05509	1.0
81.07056	1.4
83.01095	0.7
83.08614	0.5
85.02907	1.1
85.79742	0.3
91.03970	0.6
91.05494	0.8
93.07020	0.8
95.08637	0.5
97.02883	0.8
97.06522	0.6
98.97607	0.7
105.07026	0.6
107.08574	0.5
109.02837	0.4
109.10156	0.8
119.08583	0.5
121.10147	0.7
127.03815	0.5
131.00175	0.7
131.08669	0.3
132.57991	0.3
133.10124	0.4
149.01299	0.7
156.03870	0.5
158.40355	0.4
174.15988	0.4
175.11136	0.4
185.04170	1.6
201.03734	1.7
203.05237	2.3
237.60674	0.3
244.09663	0.6
259.07913	2.8
275.07422	0.5
301.08923	0.3
305.08109	0.4
325.12286	1.1
325.62531	0.5
331.09995	1.4
331.18604	0.5
347.09436	3.2
352.25421	0.5
363.09015	0.8
365.10635	3.4
373.14948	0.8
374.15698	0.9
374.66095	1.0
375.15936	0.5
387.16388	0.7
405.22543	2.6
413.17801	0.6
421.13147	2.3
431.19104	0.8
437.12274	0.5
469.20560	2.1
493.15286	1.8
501.23215	1.0
507.17245	0.6
549.21277	0.7
563.22510	0.5
567.27789	16.9
568.27832	0.6
631.25226	0.6
639.29718	0.6
657.30353	1.2
729.33051	100.0
730.33502	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	729.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
67.05508	0.9
69.03432	0.5
69.07067	0.6
69.49513	2.1
79.05479	0.7
79.88119	0.3
81.07064	0.8
85.02911	0.7
91.03945	0.5
91.05491	0.8
93.07051	0.8
95.04990	0.3
95.08594	0.6
97.02894	0.7
105.07035	0.5
107.08596	0.5
109.10180	0.5
119.08598	0.4
121.10174	0.5
127.03860	0.4
131.00215	0.5
133.10176	0.6
134.37877	0.3
157.04674	0.6
185.04272	1.1
201.03719	0.9
203.05225	2.5
216.09105	0.4
218.85628	0.4
257.06348	0.4
259.07895	2.8
286.26517	0.3
297.11871	0.4
305.08224	0.4
307.15091	0.7
319.10013	0.7
329.08472	0.4
331.09930	1.9
331.18466	0.7
347.09644	2.3
363.09070	0.6
365.10565	4.0
371.79672	0.3
373.14835	0.7
387.16547	0.7
387.21506	1.5
405.22501	2.1
413.17688	0.3
421.12991	2.5
455.18967	2.0
469.20459	7.4
493.15323	4.2
505.20316	0.4
507.17181	0.7
535.20050	1.0
539.28290	1.3
549.26947	6.9
550.27399	0.4
563.22742	0.7
567.27704	6.4
575.23480	0.5
589.24530	0.5
617.24200	0.9
631.25793	4.2
660.25757	0.6
683.33307	0.4
711.31891	10.7
729.32996	100.0
730.33276	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	729.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10431	0.3
55.05508	0.4
56.96558	0.3
57.18328	0.3
61.02946	0.3
66.56128	0.2
67.05497	0.5
68.13615	0.2
69.07069	0.4
69.59023	1.4
73.02934	0.4
79.05532	0.4
79.37800	0.2
81.07059	0.5
83.01117	0.3
85.02920	0.5
91.05502	0.5
93.07031	0.3
95.08650	0.5
97.02888	0.4
97.06554	0.3
98.97584	0.3
101.02573	0.2
103.97718	0.3
107.08588	0.3
109.10173	0.4
114.51627	0.3
131.00140	0.3
134.73227	0.3
147.04437	0.3
149.01176	0.5
156.03786	0.3
169.24319	0.3
184.03528	0.2
185.04224	1.2
201.03772	1.0
203.05295	2.0
244.09732	0.7
257.06305	0.2
257.98920	0.2
259.07922	2.7
293.13223	2.4
319.10046	0.4
331.10144	0.8
331.18661	0.5
347.09439	1.8
363.09042	0.7
365.10620	3.6
365.14957	0.4
373.15231	0.7
387.21375	0.3
401.18176	0.3
405.22412	2.7
421.13293	2.2
469.20453	1.0
493.15222	1.3
497.20126	0.3
539.28864	0.5
549.21667	0.4
567.27771	18.2
568.28125	0.3
586.78699	0.3
631.25513	0.6
729.33038	100.0
730.33435	3.3
757.59845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10487	0.3
57.40283	0.3
61.02929	0.4
67.05506	1.0
69.03423	0.5
69.07063	0.5
71.56399	0.6
71.56773	0.4
73.02924	0.7
79.05499	0.4
81.07054	1.1
83.04957	0.4
85.02903	0.7
88.71749	0.3
91.05475	0.5
93.07034	0.8
97.02840	0.5
97.06521	0.5
99.14716	0.4
102.06792	0.4
105.07056	0.8
107.08618	0.6
109.10190	0.4
119.08588	0.5
120.45746	0.3
121.10150	0.8
129.06982	0.4
147.04436	0.8
159.11624	0.5
163.03873	0.4
163.34950	0.4
185.04170	2.0
201.03641	0.7
203.05247	0.6
208.90804	0.4
233.89586	0.5
235.62692	0.4
259.07928	1.0
269.17813	0.4
301.09091	0.5
331.09958	1.9
347.09479	2.3
363.09164	1.2
373.15015	0.7
387.16464	0.6
405.22485	3.5
421.13422	0.4
437.12631	0.5
443.66965	0.4
453.86099	0.4
469.20148	1.8
493.15308	1.6
535.19983	0.4
549.20697	0.5
563.23108	0.8
567.27771	20.7
568.27942	0.6
631.25647	0.7
711.34760	0.5
729.33044	100.0
730.33289	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	728.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
54.01160	0.7
55.01874	4.6
55.05516	4.3
56.05048	1.6
57.03440	14.4
57.46262	0.8
57.88251	0.9
59.05009	1.2
60.04527	14.1
61.02936	2.3
65.03935	0.8
67.05503	5.6
68.05048	1.3
68.39400	0.7
68.99821	1.4
69.03429	43.2
69.07081	0.9
69.41895	3.0
69.42316	3.0
70.06604	6.0
71.01360	1.8
71.04995	4.2
72.04533	2.0
73.02922	4.7
74.06107	1.7
79.05521	2.6
80.05013	7.2
81.03424	12.9
81.07053	5.9
82.06602	2.2
83.01360	1.8
83.04979	5.9
84.04519	1.5
84.08158	1.4
85.02907	39.3
86.06089	1.3
86.09705	1.5
87.00835	8.0
87.04470	15.0
87.04954	0.9
90.05569	1.0
91.03970	0.9
91.05522	2.4
93.07064	2.6
94.06568	7.7
94.07027	0.7
95.01371	0.9
95.04984	1.5
95.08606	4.9
96.04518	0.8
96.08164	1.3
97.02890	34.8
97.06561	2.7
98.06075	1.4
98.21507	1.6
98.97601	1.4
99.04443	4.2
101.02409	3.0
103.03976	1.7
105.01888	5.4
105.07029	1.7
106.06586	1.0
107.04998	0.8
107.08633	2.0
109.02879	13.4
109.03579	1.0
109.10152	1.3
110.06056	1.7
111.04457	5.6
113.02380	0.9
115.03922	17.2
115.04621	1.2
116.07143	2.1
117.01912	0.9
119.08643	1.4
121.10162	1.9
123.04468	1.6
125.02397	1.4
127.03925	17.4
127.04794	1.3
129.01862	4.0
129.05469	4.2
129.07227	0.7
129.10297	1.1
132.06564	7.0
133.04987	5.6
133.10091	0.9
134.09644	1.3
137.02371	0.8
137.06001	1.1
139.04010	0.9
143.03398	3.8
145.04950	4.1
155.03461	1.0
157.01395	3.0
159.02939	3.9
161.04559	2.7
169.05003	1.0
171.02821	0.7
173.09251	1.6
187.06090	1.1
189.03912	3.5
201.04042	1.5
213.04060	1.2
224.20142	1.1
226.21721	0.9
231.05067	2.0
237.18501	0.9
238.21799	3.0
256.22678	3.6
260.20288	2.6
264.23422	1.4
266.21310	1.1
272.20050	1.2
276.23166	3.7
290.20990	4.2
292.22769	0.9
294.24490	2.8
308.22379	1.9
312.25360	5.5
326.23355	3.2
328.25140	2.8
330.26382	54.5
344.24216	4.7
346.26093	2.8
348.27429	35.3
354.26752	1.5
362.25327	6.8
372.27744	2.3
450.55118	0.9
510.33328	1.8
534.33099	1.0
552.33734	8.0
578.32349	1.4
596.32739	32.7
642.36871	1.1
684.37811	9.0
710.32880	5.4
728.36621	100.0
729.36725	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01881	2.9
55.05520	9.2
56.96546	0.5
57.03231	0.5
57.03445	4.6
61.02925	3.2
65.03943	0.5
67.05179	0.9
67.05509	13.1
69.03430	3.4
69.07072	6.0
69.26105	4.5
69.36583	0.4
70.06599	0.8
71.04966	1.0
73.02915	1.7
74.89625	0.4
79.05499	18.0
81.03425	5.1
81.06581	0.6
81.07063	12.1
83.04991	2.9
83.08622	7.1
85.02912	6.1
85.06538	1.3
86.09714	0.7
87.04463	0.9
91.03973	3.2
91.05488	11.2
93.07058	12.3
95.01353	0.5
95.04967	3.0
95.08622	7.5
97.02890	3.1
97.06537	5.1
97.09544	0.8
97.10180	11.1
99.04456	1.0
103.05470	0.7
105.07043	14.0
105.07771	0.7
105.81348	0.5
107.04964	4.4
107.08603	29.4
109.02895	0.8
109.06503	2.2
109.10159	5.2
111.04457	1.0
111.08086	1.7
117.07030	4.2
119.04908	0.5
119.06094	0.6
119.08592	8.5
121.06496	1.1
121.10152	3.6
123.08095	0.8
123.11754	2.3
125.09643	10.5
127.03917	2.2
129.07082	1.1
131.08577	5.9
131.65414	0.5
133.06422	0.5
133.10152	8.9
135.08038	3.4
135.11700	2.3
137.05988	0.6
137.09595	0.9
139.07425	0.5
143.08580	2.0
145.04967	1.2
145.10135	10.4
147.04422	2.2
147.08122	0.9
147.11700	7.3
149.09651	5.9
149.13293	0.6
151.11246	0.7
153.09140	1.6
153.12741	1.0
155.08598	0.6
157.10141	2.2
159.11690	4.5
161.09616	0.9
161.13286	1.6
163.06030	1.5
163.11240	2.4
169.10167	1.2
171.10164	1.7
171.11691	2.5
173.11809	0.7
173.13286	1.5
175.11183	1.0
177.12744	1.1
179.14336	0.9
181.12282	0.9
183.11607	1.2
185.13245	1.5
187.11255	0.7
189.11235	8.5
189.12798	0.3
191.10632	0.6
193.12282	1.6
197.13257	1.2
203.14348	1.4
211.13342	1.5
212.05934	0.6
219.17424	1.0
227.12805	11.7
229.14278	1.6
229.19475	1.3
233.15485	0.5
239.18071	2.7
245.13837	5.4
247.20671	0.6
255.15950	1.5
257.19031	13.2
267.09094	0.7
267.15897	2.3
269.17499	1.0
275.20096	21.9
283.15536	1.0
285.16934	1.7
293.21091	1.9
309.20773	0.7
331.22794	2.4
349.23761	100.0
350.24063	2.1
367.24860	8.4
389.18164	2.3
391.24686	0.6
397.55554	0.5
441.69073	0.5
461.28738	0.9
475.26965	0.9
493.27676	2.0
511.28845	4.3
529.29974	1.6
580.38947	0.6
726.41559	0.8
727.30548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03939	3.2
55.01877	5.9
55.05512	14.8
57.03438	10.7
61.02927	10.9
67.05506	38.8
69.03423	5.8
69.06725	1.4
69.07071	17.6
69.50297	5.9
71.01345	0.8
71.04976	3.3
73.02934	4.3
79.05491	29.1
81.03423	7.5
81.06580	2.1
81.07058	41.1
83.04989	6.8
83.08621	8.3
85.02913	15.1
85.06544	3.8
91.03955	9.1
91.05484	23.0
93.07042	35.9
95.04965	6.0
95.08609	16.8
97.02888	7.1
97.06530	11.7
97.10171	10.1
99.04447	2.3
99.08109	2.5
103.03927	1.1
105.07031	22.9
107.04945	5.9
107.08597	33.5
108.11128	0.8
109.02892	1.8
109.06516	2.4
109.10155	18.1
111.08085	4.1
117.07022	9.7
119.08576	16.3
121.06536	2.4
121.10142	11.9
123.08054	2.0
123.11723	3.2
125.09632	7.2
125.31500	0.9
127.03885	4.9
128.26311	1.0
129.05487	1.8
129.06992	3.1
131.08575	11.7
133.06479	1.2
133.10132	17.6
135.08032	3.5
135.11719	11.8
137.09662	1.5
141.06975	1.7
143.08574	2.7
145.04990	3.4
145.10112	15.8
147.08022	1.4
147.11670	8.6
149.09642	9.9
149.13284	7.5
151.11163	1.0
155.08603	2.5
155.10617	1.9
157.10097	3.6
159.11707	19.0
161.13268	4.7
163.06021	3.9
163.11176	5.9
169.10185	1.5
171.10133	3.0
171.11713	2.5
173.04504	2.0
173.11737	4.2
173.13277	5.3
175.14848	1.0
177.12756	14.7
177.22751	1.0
179.14294	5.5
181.12195	1.4
183.11671	1.9
185.13290	1.0
189.11230	3.9
193.12259	1.4
195.13805	4.6
197.13316	1.1
227.12781	6.4
229.14355	22.1
229.19495	2.1
239.18002	4.3
245.13823	3.6
247.20621	2.6
251.16473	3.5
255.15907	20.8
257.18997	10.8
269.17477	59.8
275.20065	26.8
275.23117	1.3
293.21115	3.2
309.20679	2.1
331.22693	2.2
349.23734	100.0
350.24246	2.0
367.24780	17.9
372.14365	2.9
374.15829	1.6
389.18048	1.3
413.21591	3.1
417.21750	1.1
450.63364	1.0
475.26703	1.4
493.27811	2.7
511.29163	5.3
529.30054	0.9
614.32642	1.0
731.69537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41112	1.0
53.03934	3.7
55.01880	5.5
55.05515	15.3
55.05778	1.4
57.03442	11.7
57.07073	1.1
61.02929	11.7
65.03934	1.5
67.05507	44.0
69.03438	7.7
69.06726	1.3
69.07072	19.4
70.95209	2.1
71.01360	1.0
71.04981	3.5
72.35033	1.0
73.02932	4.6
79.05494	29.6
81.03429	9.5
81.07061	53.2
83.04999	8.3
83.08617	13.1
85.02911	15.1
85.06528	3.6
91.03958	9.2
91.04907	1.1
91.05482	25.9
93.07047	42.6
95.04964	5.8
95.08047	1.7
95.08609	20.8
95.45210	1.0
97.02893	10.1
97.06542	14.1
97.10175	6.2
99.04435	2.9
99.08076	2.3
103.03942	1.9
105.07035	21.5
107.04965	6.3
107.07867	1.7
107.08595	28.3
109.02894	2.8
109.06507	4.1
109.10165	9.1
111.08067	3.9
117.07027	10.3
119.08578	18.8
121.06490	3.5
121.10149	10.1
123.08045	2.9
123.11714	3.1
125.09597	4.4
127.03913	6.3
129.06993	4.1
131.08577	14.5
133.06468	1.7
133.10139	18.3
135.08023	3.4
135.11699	17.0
137.09592	2.8
141.06953	1.3
143.08556	3.0
145.04973	4.2
145.10138	14.1
147.08041	1.0
147.11671	8.9
149.09647	9.4
149.13263	11.6
151.11169	2.0
151.28049	0.9
155.08569	1.4
157.10098	3.2
159.11711	20.5
161.13269	3.7
163.06013	4.0
163.11142	6.4
169.10103	1.6
171.11642	2.7
173.04448	2.6
173.09550	1.2
173.11821	2.1
173.13235	5.2
175.11174	1.7
175.14816	1.6
177.12767	18.2
179.14311	7.2
181.12193	2.5
183.11601	1.8
187.11156	1.5
189.11180	2.4
195.13750	6.1
197.13293	1.4
209.11827	1.2
211.13313	1.3
213.14816	1.8
227.12810	2.4
229.14378	6.1
229.19485	2.4
233.15364	1.2
239.17912	3.8
245.13788	3.1
251.16417	6.0
253.17947	1.2
255.15912	37.2
257.19089	6.9
269.17493	100.0
270.18045	1.3
275.20029	21.4
283.15381	1.0
283.18896	1.3
285.16925	2.0
293.21167	1.5
309.20627	2.2
331.22607	1.8
349.23730	70.6
367.24844	27.6
376.39191	1.0
389.18149	1.7
409.03302	1.1
413.21582	5.0
417.21112	2.3
431.22552	1.5
457.26016	1.2
475.26575	1.2
493.27988	2.4
511.28979	9.9
529.30127	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	726.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01877	4.4
55.05507	3.1
55.36683	0.7
56.05033	1.7
57.03436	13.4
57.74757	0.9
59.04991	1.6
60.04531	9.3
61.02931	2.1
67.02216	0.8
67.05496	3.2
67.13877	0.8
68.05028	1.2
68.99785	1.1
69.03434	49.7
69.07076	1.3
70.06596	3.0
70.67316	2.3
71.01351	1.6
71.05005	4.6
72.04521	1.0
73.02922	3.0
77.13148	0.8
79.05499	3.1
80.05025	5.5
81.03424	18.1
81.07056	3.7
82.06592	4.2
83.04980	6.3
84.04508	1.3
84.08148	1.4
85.02909	42.0
86.09707	1.5
86.74168	0.8
87.00839	8.5
87.04474	15.2
90.05564	1.2
91.03927	1.1
91.05489	1.1
93.07058	3.4
94.06567	7.3
95.04995	0.9
95.08618	2.8
95.54102	0.8
96.04497	0.7
96.08121	0.9
97.02900	38.9
97.06546	6.2
98.06067	1.5
99.04460	4.8
101.67989	0.8
102.05585	1.0
103.03976	1.8
105.01858	5.7
105.07040	2.2
106.06549	0.9
107.08608	1.8
108.08157	2.4
109.02889	13.4
109.10161	1.6
110.06021	0.9
111.04468	4.0
115.03938	11.0
116.07085	1.7
117.01866	1.8
119.08601	2.2
120.08112	1.7
123.04417	1.0
127.03928	17.6
127.04813	1.4
129.01880	2.1
129.05539	2.4
133.04977	5.1
133.10123	1.4
134.09641	0.8
139.03946	1.2
145.04973	4.6
148.11201	0.9
150.63120	0.9
159.03006	3.7
163.03882	0.7
165.49026	0.7
169.05069	1.3
185.10428	0.8
187.06100	2.4
187.47108	0.9
189.03938	1.0
201.04012	0.9
213.03940	1.3
224.20120	1.8
231.05002	1.9
236.20116	8.0
244.20578	1.2
250.21834	1.0
254.21181	5.1
262.21652	4.2
264.23322	2.8
274.21634	10.2
292.22729	8.1
310.23730	4.7
327.07004	0.9
328.24841	68.3
329.25311	2.4
340.35846	0.8
346.25894	46.6
347.26093	0.8
352.24133	0.9
370.25998	2.7
388.26990	1.8
425.23636	0.8
478.30502	1.3
508.31198	1.7
550.32269	11.5
572.33673	0.8
576.30261	3.4
594.31226	44.1
595.31940	2.2
636.32104	1.2
682.36493	10.2
708.34552	4.6
726.35474	100.0
727.35754	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	726.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01871	3.4
55.05504	2.3
56.05042	1.3
57.03439	9.7
59.05013	2.2
60.04530	8.7
61.02927	2.9
67.05508	4.5
68.05029	1.2
68.99804	1.7
69.03432	45.8
69.07059	1.5
70.06608	3.1
71.01363	0.7
71.04999	3.6
71.57217	0.8
72.04504	1.3
73.02913	3.4
74.06094	0.8
79.05497	2.7
80.05011	7.1
81.03420	17.6
81.07062	5.2
82.06570	4.0
83.04974	5.0
83.08617	0.6
83.12431	0.6
83.24403	0.8
84.04498	1.0
84.08160	1.4
85.02908	41.5
86.06082	0.7
86.09689	0.8
87.00832	9.1
87.04475	14.8
90.05556	1.0
91.03950	1.0
91.05473	1.9
93.07053	3.4
94.06571	7.7
95.04991	1.5
95.08610	3.7
96.08157	1.6
97.02895	36.8
97.06550	5.8
98.06056	1.2
99.04460	5.8
101.02392	0.7
102.53279	0.6
103.03952	1.2
105.01862	4.1
105.07061	1.4
106.06563	1.3
107.08607	1.6
108.08137	2.7
109.02882	11.8
109.10144	1.2
111.04439	4.2
115.03936	12.0
116.07119	1.4
117.01900	1.0
119.08562	1.1
120.08113	1.1
121.06498	0.9
121.10205	0.9
125.02412	1.0
127.03925	17.2
129.01865	1.8
129.05505	3.0
133.04961	5.1
133.10136	0.9
134.09709	0.9
145.04962	3.7
145.10176	0.8
147.02921	0.8
151.03893	1.0
159.02936	4.9
166.58830	0.7
187.06039	1.3
189.04034	0.9
201.03964	1.3
213.03947	1.0
224.20145	2.5
231.05150	2.0
236.20079	5.3
241.06982	0.8
242.93346	0.7
244.20569	1.1
246.22362	1.1
249.06252	0.8
250.21919	0.9
254.21194	5.7
256.20654	1.1
262.21710	3.8
264.23376	1.6
274.21609	9.0
292.22672	6.3
310.23660	5.0
328.24841	64.8
329.25290	1.9
346.25897	46.9
347.26370	0.9
370.26123	2.5
373.65134	0.7
388.26996	1.3
478.30328	1.7
508.31256	2.2
518.43085	0.8
532.31726	0.9
550.32300	12.0
576.30121	2.1
594.31238	42.1
595.32050	0.9
636.32605	1.3
640.34082	0.8
664.35455	0.8
682.36334	10.2
708.35065	4.2
726.35468	100.0
727.36206	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	724.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.05501	16.8
55.40492	4.3
57.03440	18.6
57.95995	4.1
61.02928	9.0
67.05508	65.1
69.03419	4.5
69.07059	15.9
70.62711	5.1
70.63063	10.6
71.04970	4.8
79.05501	41.7
81.03417	92.3
81.07058	58.4
83.04955	5.8
83.08614	22.0
91.05490	35.4
93.07050	50.3
95.04986	26.6
95.08611	46.9
97.06527	4.7
97.10159	8.8
105.07021	31.1
107.04939	8.8
107.08584	23.6
109.06511	3.9
109.10157	18.5
111.08112	8.6
117.07031	5.8
119.08593	24.7
121.10132	20.3
123.08087	4.7
129.07011	4.9
130.17793	3.7
131.08546	18.0
133.06465	4.3
133.10123	15.7
135.11708	10.4
145.10088	9.9
147.11678	12.7
149.09622	6.2
149.13229	4.7
153.67360	4.2
157.10114	8.6
159.11681	6.0
161.13383	4.8
163.14809	4.2
175.11131	7.7
193.12212	20.3
227.12788	7.0
230.71883	4.1
243.21185	6.4
260.92221	3.8
261.22025	20.0
267.15909	100.0
267.18613	7.9
301.14819	3.6
308.95355	3.6
309.17053	4.2
317.24808	4.4
335.25797	96.7
345.18344	4.1
430.14331	4.1
435.32358	5.5
453.33322	9.2
471.35031	4.4
527.37415	55.3
545.38452	29.8
551.46588	4.2
569.38293	5.0
595.47546	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.21346	1.1
55.01875	8.0
55.05516	46.3
57.03442	19.1
57.07070	2.7
58.37641	1.0
59.05012	6.1
61.02921	3.1
65.03936	2.7
67.05510	100.0
67.52992	0.9
69.03438	4.9
69.07076	12.6
69.65608	6.9
71.01347	3.3
71.04980	5.3
73.02914	3.3
75.04475	1.9
79.05497	29.2
81.03426	14.5
81.07063	41.9
83.01324	1.3
83.04987	13.1
83.08629	20.1
84.02122	0.9
85.02911	19.5
85.06540	3.8
87.04468	6.7
91.03955	2.3
91.05481	16.8
93.07047	23.5
95.04988	6.9
95.08612	14.4
97.02911	6.5
97.06544	6.4
97.10178	29.3
99.04459	1.2
99.08070	2.4
101.02382	1.3
103.03969	10.0
105.07027	8.1
107.04941	6.1
107.08601	24.4
109.06506	3.1
109.10165	74.9
110.10503	1.3
111.04453	4.7
111.08105	5.7
117.07043	5.3
119.08587	9.8
121.06509	2.3
121.10153	8.7
123.08081	2.8
123.11732	2.0
125.09637	34.8
125.10556	1.7
127.03901	1.6
129.05492	4.2
129.07005	2.3
130.07768	1.5
131.08575	6.3
133.10135	6.9
135.08044	2.3
135.11696	12.0
137.09619	3.9
143.10658	6.7
145.10124	7.9
147.08049	1.4
147.11707	2.2
149.09641	1.3
149.13252	7.4
150.65973	1.1
152.58220	1.0
153.12747	10.6
155.08572	1.4
155.10687	8.9
157.10173	1.5
159.06577	1.0
159.10425	0.9
159.11713	4.5
163.11212	15.6
165.12654	1.3
173.09573	2.1
173.10112	1.6
173.11752	32.1
175.11160	1.7
177.12769	3.2
181.12250	9.5
189.11176	2.5
191.10703	7.2
192.14230	1.1
193.12244	5.3
195.13837	15.6
199.13312	10.2
209.11742	14.7
211.13391	1.1
213.14833	3.8
217.14334	6.4
225.14922	1.9
227.12794	23.0
227.16403	3.1
229.14365	70.6
245.13843	5.1
257.13867	27.3
261.22141	1.2
267.15872	2.5
273.16965	1.3
283.15411	44.7
285.17093	1.5
301.16479	52.9
319.17633	5.8
335.44565	1.0
527.32196	21.9
724.40186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00341	0.4
53.03926	1.8
55.01877	4.2
55.05264	0.5
55.05509	6.5
57.03196	0.4
57.03442	5.7
57.07069	0.6
58.88971	0.4
61.02925	4.5
65.03934	1.0
67.05507	25.6
68.05845	0.5
69.03443	4.0
69.06733	0.5
69.07071	7.7
70.61535	1.2
71.04992	3.0
73.02917	2.0
73.06541	0.5
79.05495	13.7
81.03414	4.5
81.07059	27.3
83.04984	4.9
83.08613	3.0
85.02432	0.5
85.02908	5.8
85.06547	3.3
87.04457	0.8
91.03957	3.5
91.05482	22.2
93.07046	15.9
95.04972	5.2
95.08059	0.6
95.08613	6.9
96.04496	0.4
97.02891	3.2
97.06535	2.7
97.10130	1.0
98.21436	0.4
99.04449	1.2
99.08089	0.8
101.06055	0.6
103.03935	0.5
103.05456	0.6
105.04523	0.6
105.07034	22.0
107.04964	3.5
107.07865	0.9
107.08598	18.3
109.02886	0.6
109.06525	4.7
109.10159	26.8
111.04435	1.1
111.08076	1.6
113.05987	0.7
115.05415	0.5
117.07011	3.1
119.04937	0.6
119.08575	5.1
121.06507	2.2
121.10135	3.9
123.04392	0.6
123.08101	2.0
123.11711	5.3
125.09627	1.0
127.03893	1.2
127.07556	1.6
128.06230	0.9
129.05464	0.6
129.06979	1.9
131.04930	0.5
131.08575	6.5
133.06523	3.6
133.10132	37.9
135.08055	5.0
135.11676	2.6
137.05994	0.5
137.09595	0.7
137.55910	0.4
139.07533	0.8
139.11243	0.4
143.08594	2.5
145.04918	1.3
145.10127	3.3
147.08046	1.8
147.11708	2.2
149.09636	4.3
151.11192	17.2
157.10146	1.8
159.08086	2.0
159.11752	1.1
161.09654	3.5
161.13214	1.1
163.06004	0.9
163.11226	1.0
165.12791	0.5
169.12273	2.9
170.41426	0.4
171.11676	1.4
173.09634	0.7
175.11171	1.9
177.09094	1.6
177.12695	0.5
179.10617	0.9
183.11841	0.4
185.13272	1.0
187.11218	0.7
189.12816	0.8
193.12270	1.0
195.10271	0.4
197.11739	0.8
199.11220	0.6
203.18042	0.5
207.13860	0.5
215.12688	2.0
217.12296	0.5
227.17799	0.5
229.14474	0.6
245.18915	2.2
251.12827	1.2
253.14355	69.4
254.14613	0.8
255.17422	0.8
263.19919	1.9
267.15976	1.2
269.13919	2.2
271.15408	7.7
273.18515	9.6
283.06049	0.4
283.12448	0.5
285.17007	2.0
291.19537	9.9
309.20551	1.2
347.22183	6.1
365.23236	100.0
366.23593	2.5
381.19531	1.4
382.19812	1.3
383.24341	2.7
415.19559	0.6
427.13226	0.4
458.35962	0.4
477.28918	0.8
491.26675	0.5
509.27744	0.7
527.28412	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	724.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.7
53.03931	2.1
55.01863	2.1
55.05266	0.9
55.05512	10.0
55.51954	0.5
56.96552	0.7
57.03441	5.6
61.02932	4.2
65.03976	0.7
67.04955	0.8
67.05509	16.8
69.03443	4.3
69.07069	11.2
70.06600	0.8
71.04980	2.0
71.56653	1.0
73.02912	3.2
79.05501	12.2
80.44844	0.5
81.03423	12.2
81.07058	16.3
82.03737	0.8
83.04990	3.9
83.08631	6.9
84.08128	0.7
85.02908	8.6
85.06533	1.2
86.09689	0.8
89.06038	1.1
91.03978	3.7
91.05482	14.0
93.07053	11.2
95.04974	7.6
95.08610	5.9
97.02901	5.9
97.06539	2.8
97.10179	5.2
99.04465	1.0
105.07031	10.1
107.04966	4.9
107.08600	9.3
109.02905	0.9
109.06548	3.2
109.10162	9.1
111.04412	1.6
111.08086	2.3
112.55316	0.6
117.07053	4.5
119.04924	0.8
119.08580	7.2
121.06512	2.7
121.10152	6.0
123.08059	2.3
123.11674	1.2
125.09644	6.2
127.03915	1.7
127.07553	2.2
129.07001	2.4
131.08583	6.0
133.06500	2.5
133.10138	9.8
135.08073	2.6
135.11676	1.8
137.09622	1.7
143.08577	1.9
145.04973	1.5
145.06447	0.9
145.10117	4.0
147.04491	0.7
147.08054	3.6
147.11699	3.3
149.09616	2.7
149.13266	1.1
151.11183	3.8
157.10123	3.5
158.93887	0.5
159.08063	0.8
159.11694	1.8
161.09636	2.5
163.06030	1.9
163.11139	2.8
165.09122	1.4
165.12758	0.9
169.12274	1.1
171.11708	1.0
173.09592	1.1
173.11771	1.2
175.11162	3.2
177.12769	0.8
183.11673	0.6
184.07326	0.6
185.13199	0.9
189.11201	1.7
189.12790	1.1
193.12248	7.9
201.12843	0.6
205.12303	0.8
209.11722	0.7
211.13390	3.2
223.13301	5.3
227.12842	5.6
228.13254	0.9
229.14359	2.1
233.15363	0.9
245.19084	0.8
249.14885	1.6
253.14386	11.9
255.17546	1.2
259.06323	0.7
263.19962	1.1
267.15912	7.3
268.16183	0.9
269.17343	1.1
271.15442	1.6
273.18530	11.0
283.15408	2.2
285.16931	13.5
291.19547	46.9
292.19836	0.7
297.17017	0.8
301.16660	0.7
307.19080	0.6
309.20572	0.7
347.22198	4.5
365.23242	100.0
366.23618	2.6
383.24252	1.8
459.27393	4.9
477.28314	8.4
509.28351	0.7
527.28772	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	724.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01886	2.1
55.05516	9.1
57.03444	2.9
59.04984	0.6
61.02927	3.6
67.05509	13.5
69.03431	5.0
69.07075	12.1
69.86989	0.3
70.06581	0.6
70.33239	0.9
71.04965	1.2
73.02887	1.6
79.05498	10.5
81.02981	0.5
81.03423	7.5
81.07062	12.2
83.04544	0.4
83.04985	5.0
83.08624	5.5
85.02911	5.9
85.06516	1.0
91.03961	3.7
91.04967	0.5
91.05486	7.6
93.07050	8.8
95.04960	3.7
95.08605	6.5
97.02911	6.3
97.06508	1.8
97.10176	8.3
98.21388	0.6
99.04438	0.8
105.03391	0.4
105.07033	8.3
107.04955	2.7
107.08595	6.7
109.02870	0.7
109.06512	1.2
109.10159	4.6
111.04415	0.8
111.08055	1.6
115.05445	0.7
116.06168	0.4
117.07028	3.4
119.04906	0.7
119.08594	7.5
121.06532	1.8
121.10152	3.4
123.08112	2.0
123.11699	1.3
125.08780	0.5
125.09647	6.7
127.03870	1.2
129.05531	0.4
129.06984	1.6
131.04919	0.5
131.08580	4.8
133.06477	1.5
133.10141	2.9
135.08090	2.1
135.11642	1.6
137.09567	1.2
143.08533	1.6
145.04927	1.3
145.06535	0.6
145.10136	2.4
147.08038	3.0
147.11688	3.1
149.09625	1.6
149.13242	0.6
151.11195	0.6
153.09100	0.6
157.08800	0.5
157.10106	2.1
159.08040	0.7
159.11667	0.8
161.09653	1.8
162.10397	0.5
163.05998	1.4
163.11154	1.6
164.59148	0.4
165.09114	0.8
165.12720	0.8
171.10167	0.7
171.11646	1.0
173.09566	0.6
173.11751	0.8
175.11194	2.3
177.12741	0.9
185.13269	0.5
189.09648	0.4
189.11197	2.6
189.12799	0.8
193.12218	4.3
199.11224	0.5
205.12236	1.1
211.13269	1.9
213.14824	0.4
223.13295	10.1
227.12799	5.1
229.14311	1.3
235.10988	0.5
245.13873	1.7
245.19041	0.9
249.14825	1.2
255.17358	0.6
263.20093	0.8
267.15930	7.4
273.18481	9.1
285.16995	14.8
291.19553	56.8
292.19824	1.3
347.22150	3.5
365.23248	100.0
366.23593	2.4
383.24289	1.1
459.27774	0.5
477.28687	2.3
491.30283	0.6
527.28711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61336	0.7
53.03952	0.9
55.05504	1.6
57.03428	2.8
57.41575	0.7
61.02927	4.5
67.05508	10.3
69.03428	2.2
69.07075	2.1
71.05001	0.8
71.56994	1.0
73.02919	2.5
79.05495	2.4
81.03407	3.4
81.07057	4.5
83.00450	0.8
83.04954	0.8
83.08604	1.4
85.02892	3.7
91.03960	2.4
91.05482	3.5
93.07047	3.9
95.08578	1.7
97.02897	3.7
97.06535	1.2
101.02350	1.0
105.07033	2.3
107.08582	1.5
109.10162	8.2
117.07045	0.7
119.08611	2.4
121.10165	0.8
125.09657	0.8
127.03968	1.1
131.08586	1.5
133.10120	0.8
135.11681	1.0
142.72467	0.8
145.10170	1.2
159.11780	0.9
173.11806	1.1
195.10068	0.8
212.21890	0.8
229.14439	1.0
237.49876	0.7
243.08473	2.2
274.90091	0.9
301.16180	0.9
333.20581	2.2
344.19604	0.7
355.18497	1.4
413.17914	9.5
439.19427	1.2
453.21146	1.1
543.37469	0.8
551.28180	3.6
625.32373	0.9
635.18335	0.8
723.39233	100.0
724.39990	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	724.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01877	4.0
55.05513	12.9
56.32583	0.5
57.03440	5.6
59.04988	1.0
61.02930	5.7
67.05509	17.7
67.49796	0.4
69.03433	6.7
69.07073	20.2
70.06579	1.0
71.04990	1.9
71.57282	0.7
73.02915	1.2
79.05496	14.6
79.05956	0.8
81.03423	11.5
81.07061	13.9
83.04984	3.1
83.08144	0.7
83.08622	9.7
85.02907	7.6
85.06538	0.6
91.03965	5.1
91.04967	0.8
91.05489	11.0
93.07050	12.5
95.04971	7.6
95.08615	8.0
97.02897	8.8
97.06531	3.3
97.10173	11.0
101.02393	0.5
105.07032	8.6
107.04962	5.3
107.08600	9.1
109.02869	0.6
109.06516	3.6
109.10166	7.0
111.04488	0.6
111.08108	2.6
111.35455	0.5
115.05448	0.9
117.07034	4.3
119.04933	0.7
119.08592	9.5
121.06539	2.3
121.10162	4.4
123.08083	3.1
125.09634	8.4
127.03925	1.3
127.07563	2.2
127.97000	0.6
129.07030	2.5
131.08582	5.4
133.06493	2.4
133.10162	3.5
134.07268	0.6
135.08066	3.2
135.11684	2.0
137.08626	0.5
137.09622	2.1
142.07790	0.7
143.08621	1.7
145.04958	1.8
145.10130	4.1
147.08057	4.0
147.11714	4.1
149.09630	1.5
149.13283	1.0
151.11218	0.9
153.09140	0.9
157.10147	2.9
159.11707	2.6
161.09657	2.8
163.06087	0.8
163.11209	2.2
165.09125	1.2
165.12831	0.8
169.10216	0.8
169.12196	0.8
171.10225	1.1
171.11621	0.8
173.09612	1.1
173.11911	0.5
173.13330	1.0
175.11130	2.9
177.12735	1.3
185.13263	0.9
189.09682	0.7
189.11229	3.4
189.12740	0.9
193.12253	6.6
195.13774	0.8
201.12848	0.6
205.12305	0.9
209.11674	0.7
210.18213	0.4
211.13217	3.2
223.13307	10.6
227.12872	4.3
229.14365	1.3
233.15430	0.5
245.13789	0.7
245.19086	0.8
249.14920	2.8
251.16417	0.6
255.17445	0.9
267.15955	4.2
273.18494	10.1
283.15427	1.5
285.14532	0.3
285.16971	13.1
291.19556	59.8
292.19901	1.5
297.17419	0.8
307.19040	0.6
307.45953	0.5
347.22186	5.6
365.23245	100.0
366.23334	2.8
383.24130	0.8
385.24057	0.6
393.18936	0.6
429.21387	1.1
459.27341	2.2
477.28491	4.6
509.27301	3.0
527.28394	5.4
542.05731	0.5
724.42004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86523	0.2
56.96568	15.9
57.47130	0.2
62.18644	0.2
67.56094	0.3
69.03395	0.3
69.41617	1.6
70.97435	0.2
71.95271	2.0
72.96046	1.8
73.04504	0.2
79.26563	0.3
81.03405	0.4
81.07022	0.3
84.96008	0.9
85.94243	0.3
97.02908	0.2
97.06510	0.2
97.96827	0.6
110.97559	0.7
111.04391	0.3
115.00674	0.4
119.01653	0.3
122.92133	0.2
127.00677	0.3
128.98552	0.4
137.02742	0.7
139.00662	0.5
140.21794	0.2
141.02211	0.9
153.02216	0.6
155.03760	0.6
157.01720	0.5
159.03297	0.8
167.03807	0.4
169.01775	0.3
169.05400	0.3
171.03331	1.4
173.04881	0.4
181.01675	0.4
181.05217	0.3
183.06711	0.3
185.01207	0.9
185.04890	1.0
189.04323	0.9
193.05305	0.5
193.08902	0.3
199.02789	0.8
199.06398	0.7
203.02412	0.4
203.05927	1.1
211.06416	1.0
217.03804	0.8
217.07367	0.4
223.06689	0.3
223.10011	7.2
229.07497	0.5
229.14345	0.3
231.06859	0.4
237.07932	1.0
239.09518	0.4
241.11115	68.2
242.11455	0.8
249.07901	1.4
255.09190	0.3
259.12189	55.5
260.12512	1.0
264.12686	3.9
267.09027	10.6
282.13803	2.2
285.10101	45.0
286.10464	0.5
303.11163	18.5
308.11667	3.7
325.17664	0.3
326.12726	1.2
477.21375	0.6
495.22672	100.0
496.22919	3.2
532.82733	0.2
536.25116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.9
64.35252	1.7
70.04607	6.3
70.05023	3.4
70.55312	1.5
75.72484	1.5
79.57905	1.5
85.67490	1.7
98.21571	1.7
98.97569	17.1
108.85050	1.6
110.97575	7.8
116.98597	3.0
126.67834	1.7
128.98587	3.2
140.98618	2.5
143.00180	4.8
151.62535	1.7
152.98544	2.8
154.07750	1.9
158.99690	8.2
161.01288	1.9
170.99609	8.8
177.00714	3.5
182.99684	10.9
189.00751	3.4
201.00714	19.0
213.00656	2.1
219.01802	12.8
231.01651	1.9
237.02768	3.3
243.01761	8.6
261.02829	37.4
273.02805	3.4
279.03931	16.3
289.29712	1.6
291.03854	7.2
293.83084	1.6
302.37030	1.7
321.04984	14.9
333.05075	1.8
351.05856	4.4
381.07913	100.0
399.08075	6.8
441.09146	50.2
443.48798	1.9
550.88837	1.7
658.10150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43414	2.1
55.05505	7.8
57.03431	4.7
61.02935	12.8
67.05505	31.0
69.03429	4.1
69.07072	5.5
69.40809	5.9
69.41224	10.7
71.04983	2.5
73.02911	4.4
76.70712	1.9
79.05495	19.8
81.07058	43.4
83.04975	1.9
83.08636	2.7
85.02908	22.5
91.03966	15.6
91.05462	10.0
93.07040	23.0
95.08609	36.1
97.02887	12.3
97.10204	2.5
99.04466	3.8
105.07038	12.1
107.08582	19.2
109.06540	2.0
109.10147	22.7
115.03954	2.0
117.07047	5.1
119.08604	5.9
121.10140	15.0
123.08102	2.1
123.11701	12.6
127.03909	8.3
131.08621	10.4
131.09488	1.9
132.08876	2.5
133.10149	8.3
135.11703	16.6
137.13274	6.6
145.05000	11.4
145.10136	8.8
147.07883	2.0
147.11693	6.4
148.58409	2.2
149.13254	13.6
159.11705	7.7
161.13297	7.3
163.06033	15.6
163.14853	10.3
165.12753	3.2
171.55101	1.8
173.13303	9.5
175.14873	3.5
177.16399	5.2
180.39932	2.3
187.14865	5.8
201.16333	2.5
208.11765	2.4
233.22768	2.7
243.21062	32.1
261.22159	100.0
279.23254	4.6
335.25836	31.0
353.26886	74.2
497.31625	2.6
595.65405	2.4
722.42468	4.5
747.30365	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	721.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07134	1.4
62.46479	1.5
65.03885	1.5
69.51897	10.5
69.52292	3.1
85.02944	1.8
87.35285	1.8
91.05467	4.6
94.93014	1.6
101.00869	10.4
113.00869	3.9
119.01943	17.9
119.04957	9.3
127.02359	1.7
129.00351	1.8
131.01938	10.7
133.06471	2.4
143.01904	20.6
145.03487	10.1
147.01315	3.0
147.04414	100.0
155.01912	13.9
156.89297	1.6
157.03441	5.2
161.02960	20.6
167.01920	4.8
169.03467	2.9
171.01378	4.2
171.04900	1.7
173.02962	22.1
176.27896	1.6
179.01956	1.8
181.03458	1.9
184.04520	1.7
184.83679	1.9
185.02968	29.0
187.04492	2.4
189.02417	2.0
197.02954	11.6
201.02434	3.3
203.03984	7.7
205.03471	10.4
213.02449	1.8
215.03989	5.5
216.41405	1.6
221.05014	1.8
223.04512	14.6
227.04034	6.3
229.03471	12.4
233.01181	2.6
233.03168	2.6
241.03426	2.4
241.05573	7.7
243.05072	3.2
245.05098	60.9
247.04539	36.1
259.04718	9.4
261.02652	3.1
261.06146	7.5
263.06158	9.8
265.05609	32.4
269.02866	3.9
271.04709	1.6
273.06128	2.9
275.02615	6.4
275.06195	4.9
277.04086	2.4
283.06592	6.3
285.04517	3.3
287.04047	12.6
289.05396	4.4
291.07227	3.5
293.07379	2.7
301.05402	2.7
303.05960	1.6
305.07132	6.4
307.06607	5.3
329.05167	2.5
331.06598	1.9
334.57837	2.0
335.05161	2.0
343.02661	2.5
349.07556	7.4
359.04865	5.0
361.04074	13.6
365.09378	8.5
367.08856	13.7
377.05695	6.6
379.05118	5.8
389.07391	3.3
395.06543	4.6
397.06122	13.5
403.04904	8.5
405.06717	2.9
421.05847	21.1
431.08368	12.0
439.07135	11.2
449.09198	7.1
451.07498	7.8
463.07205	3.1
481.08017	4.6
499.09058	4.7
505.08200	6.1
523.09503	16.7
529.14276	9.4
539.10748	2.6
541.10126	12.2
551.29230	2.0
559.10944	5.0
685.14386	4.3
703.15125	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	716.567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01868	0.4
55.05515	9.7
56.05036	2.8
57.03428	0.6
57.07080	4.5
57.95279	0.3
58.06602	0.5
58.97676	0.4
60.04526	21.6
63.48422	0.4
63.79614	0.3
64.18839	0.3
64.68662	0.3
65.03961	0.6
67.05505	15.8
69.03436	0.6
69.07070	10.9
70.06594	2.8
71.04991	0.5
71.08636	2.2
71.47760	0.5
72.04494	0.4
77.03924	0.4
78.25947	0.3
79.05494	13.0
81.06578	0.8
81.07059	15.0
82.06577	1.2
82.68790	0.4
83.04979	0.4
83.08617	8.2
85.10177	1.0
86.06070	0.8
91.05488	2.4
93.07045	15.5
95.08608	14.1
95.09225	0.3
96.08165	2.4
97.06522	1.0
97.10179	5.3
100.07629	1.1
107.08604	7.5
109.10157	5.0
110.09683	0.5
111.08108	1.1
111.11740	1.3
114.09155	0.8
120.17332	0.3
121.10148	11.0
123.11720	1.9
124.11241	0.6
125.09628	0.4
135.11688	6.6
137.01990	0.4
137.13248	0.9
149.13274	1.8
165.16385	0.4
182.19095	0.6
219.21048	0.5
247.24156	2.1
252.26959	1.0
254.24944	0.7
264.24026	0.3
264.26868	10.1
264.29706	0.5
265.25229	0.4
266.24789	0.8
272.25815	5.6
282.27927	14.6
282.31061	0.7
300.29077	1.2
488.48209	0.6
500.48218	0.5
518.49408	4.9
536.50397	100.0
537.50659	3.6
554.51447	39.0
555.51672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81971	0.8
55.05509	1.9
57.03434	2.0
61.02935	5.1
67.05502	5.1
69.03439	4.3
69.07053	1.3
69.26064	7.4
71.04983	0.9
73.02913	3.5
79.05484	3.9
81.03411	1.6
81.07055	5.4
83.08608	0.8
85.02893	4.1
91.03979	2.2
91.05489	6.7
93.07030	3.9
94.79783	0.7
95.08620	3.0
97.02893	3.8
101.02393	1.8
105.07047	4.0
107.08604	2.3
109.10136	1.7
119.08578	1.5
121.10193	2.0
127.03967	1.3
133.10149	5.2
135.11705	1.1
145.10187	1.0
147.11696	1.0
161.09601	0.9
195.00259	1.6
198.76392	0.8
219.09926	6.3
243.08461	2.5
262.84229	0.8
275.90997	0.8
303.06876	1.5
437.17819	3.0
439.83478	0.9
519.29144	10.4
543.36810	2.4
715.40247	100.0
716.40826	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	715.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01620	0.5
55.05513	0.6
56.96568	1.0
57.03437	0.6
61.02949	0.8
63.72818	0.5
65.63493	0.5
67.05502	1.3
69.03436	0.7
69.07087	0.7
69.21925	1.0
69.22324	5.2
70.06597	1.7
70.11920	0.6
79.05497	0.8
81.03468	0.6
81.07055	0.8
95.08597	0.9
109.10195	0.6
121.10130	0.6
131.00177	0.7
131.98540	0.6
142.75546	0.5
147.04420	0.8
181.25046	0.5
182.03726	0.7
185.04272	0.7
203.05391	1.7
229.07510	0.9
259.07999	2.1
317.19687	0.6
347.09439	0.9
365.10617	3.1
391.24561	1.4
421.12985	1.9
431.19113	1.0
442.22012	0.7
532.92249	0.6
545.12390	0.9
546.90326	0.7
553.21393	1.1
553.29865	19.6
715.35095	100.0
716.35461	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
59.56749	0.3
67.05505	1.1
70.06592	0.7
71.56805	0.3
79.05491	0.5
81.07082	0.4
85.02906	0.5
91.05512	0.4
93.07047	0.4
95.04996	0.4
98.97630	0.3
104.58811	0.4
107.08608	0.4
109.10072	0.3
119.08595	0.4
121.10176	0.4
133.10190	0.6
145.10133	0.4
147.04453	0.6
157.04735	0.4
163.07462	0.3
169.04800	0.3
185.04218	2.1
201.03761	1.2
203.05351	0.6
220.20073	0.3
259.07968	1.0
275.07471	0.8
299.18500	0.3
301.08969	0.8
317.08475	0.9
319.10156	0.7
331.10028	2.6
338.19489	0.3
345.11642	0.5
347.09424	4.6
359.12958	0.4
363.09103	2.8
391.24515	1.1
401.17926	0.6
415.19388	0.7
421.13251	1.0
431.18970	0.4
437.12787	1.7
455.22705	0.4
463.14255	0.4
483.22043	2.5
493.15253	4.7
507.17047	1.2
521.18481	1.3
535.19971	1.0
535.28662	0.6
549.21283	0.6
553.29822	15.9
554.30353	0.4
563.23206	0.9
577.25018	2.0
603.26709	0.8
617.27808	1.1
645.27087	0.9
715.35065	100.0
716.35327	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	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20504	0.2
55.05507	0.3
60.95853	0.2
67.44814	0.2
79.05484	0.4
81.07054	0.2
83.01111	0.7
84.01880	0.4
93.07085	0.4
95.01094	0.7
95.08629	0.3
97.02669	0.3
98.20775	0.4
102.96894	0.3
113.02081	0.3
117.95584	0.2
121.99619	0.2
125.02173	0.3
127.03718	0.3
135.11670	0.2
139.03696	0.2
141.05238	0.4
146.96100	0.2
155.40215	0.2
156.04028	0.3
157.04752	0.7
161.02863	0.2
169.04794	0.3
184.03470	0.3
185.04210	2.5
185.05524	0.2
192.99817	0.2
201.03683	1.9
203.05312	2.3
209.11545	0.2
229.10138	0.3
241.06970	0.4
257.06378	0.8
259.07944	2.3
275.07446	0.6
299.18604	0.3
301.08746	0.4
305.08420	0.4
317.08554	0.7
317.19736	0.3
319.09927	1.6
329.08606	0.6
331.10013	2.6
345.11676	0.8
347.09525	4.7
359.13409	0.6
359.65689	0.4
363.09003	2.2
365.10529	4.3
373.14951	0.7
391.24683	0.8
401.18268	0.4
415.19455	0.8
421.13058	2.8
437.12766	0.5
441.20990	0.3
455.22858	0.6
483.22006	2.5
493.15363	3.6
507.16690	1.0
521.18329	1.2
535.20313	1.0
535.28015	0.3
549.21350	0.6
553.29846	14.6
554.30780	0.3
563.23193	0.8
577.24933	2.0
603.26312	0.5
617.27924	1.0
645.27368	1.3
666.50354	0.2
715.35114	100.0
716.35376	3.3
749.85297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3298
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
70.81778	1.0
71.08628	0.3
76.57958	0.3
98.97569	0.4
123.43912	0.3
125.68937	0.3
154.20526	0.3
162.41890	0.3
277.35938	0.4
303.36591	0.3
321.05121	0.5
324.83289	0.4
455.10977	0.5
715.33038	100.0
716.33551	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50688	0.2
66.82669	0.2
67.05521	0.5
67.51688	0.2
69.16622	0.2
70.06589	0.5
77.02341	0.2
79.05484	0.3
81.03442	0.3
81.07044	0.7
82.94353	0.2
85.02892	0.4
91.05477	0.6
93.07073	0.5
95.08614	0.3
98.97649	0.3
105.07053	0.4
107.08597	0.4
109.10125	0.3
121.10115	0.3
123.08118	0.3
133.10159	0.4
147.04410	0.6
160.04729	0.3
166.48994	0.3
185.04286	0.8
203.05284	1.9
224.07117	0.2
259.07962	1.7
317.19781	0.3
324.88760	0.3
347.09512	1.9
357.15543	0.3
365.10580	3.6
391.24588	1.1
421.13232	1.7
429.50696	0.3
463.41956	0.3
495.25580	0.5
535.29004	0.3
553.29883	21.9
715.35114	100.0
716.35480	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	714.552
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03963	1.6
55.05516	11.0
56.05025	2.8
57.07080	6.5
60.04533	27.5
65.03954	1.0
67.05509	25.8
67.64592	0.9
69.07079	14.1
69.99858	2.2
70.00277	4.1
70.06578	3.3
71.08630	3.3
72.04512	1.4
79.05499	15.7
81.06584	1.5
81.07064	23.6
82.06566	1.3
83.04961	1.8
83.08624	10.8
85.02911	1.2
85.10188	2.0
86.06071	2.4
91.05495	18.9
93.07048	15.4
94.06580	1.4
95.04984	1.2
95.08612	21.1
96.08132	1.2
97.10192	6.5
105.07027	12.2
107.08611	8.6
108.08092	1.7
109.10178	8.2
110.09663	1.2
119.08592	13.6
121.10155	8.1
123.11707	3.7
133.10138	11.3
135.11734	4.8
137.09631	1.3
147.11697	5.1
149.13242	2.2
153.84665	1.0
161.13240	1.9
162.33733	1.1
163.14888	1.2
165.09077	1.1
175.14867	1.2
196.64182	0.9
227.10774	1.1
245.22641	8.6
254.24670	1.3
262.25317	18.3
263.23834	4.7
272.25793	4.3
280.23352	2.0
280.26382	32.6
298.27362	5.5
335.23746	1.0
357.20538	1.2
401.22867	1.5
454.09198	1.1
495.32321	1.1
497.51880	1.0
516.47675	5.4
534.48853	100.0
535.49072	3.1
552.49915	41.1
635.95740	1.1
696.54260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
54.06951	0.5
55.01880	4.4
55.05510	1.5
56.05035	0.9
57.03440	5.4
59.05001	0.7
60.04534	6.6
61.02925	0.9
64.43674	0.5
67.05520	2.5
68.05024	0.7
69.03436	3.8
69.07071	1.1
70.06590	3.0
70.42915	0.4
71.01361	2.2
71.05000	3.3
71.57269	0.8
72.04521	0.8
73.02920	3.3
73.31258	0.5
74.06081	0.7
79.05506	1.9
80.05013	5.1
81.03432	1.6
81.07079	3.5
82.06591	2.7
83.01346	2.2
83.04982	1.3
84.08157	0.7
85.02909	7.1
85.06563	0.7
86.06066	0.7
87.00819	1.6
87.04483	4.3
87.66867	0.5
89.02406	1.4
91.05508	1.5
93.07049	2.4
94.06572	8.2
95.01328	3.0
95.04951	0.8
95.08623	2.3
97.02281	1.2
97.02904	21.6
97.06553	2.0
98.06055	1.0
99.00837	1.5
99.04466	1.1
101.02394	8.1
103.03946	1.1
105.07062	1.4
107.08624	1.6
108.08117	1.0
109.10152	0.8
111.00819	5.2
111.04490	0.6
111.08095	1.0
113.02383	4.2
113.36410	0.5
115.03941	16.3
116.07158	0.6
117.07048	0.5
119.03477	0.7
119.08582	1.2
120.08137	1.0
121.10126	0.9
123.04420	0.5
125.02377	2.7
127.03949	0.9
129.01862	5.5
133.04996	1.1
134.09691	0.7
137.02388	0.8
138.12758	0.6
143.03406	10.9
153.01857	0.6
155.03436	1.8
157.01344	11.9
159.02977	1.2
161.04468	8.6
165.01781	0.6
171.02936	1.9
179.14380	1.7
181.01366	0.6
183.03011	0.8
185.04547	0.5
189.03972	8.5
190.16034	0.5
195.02893	0.5
207.03134	0.6
220.17105	0.6
223.02406	0.7
224.20148	1.2
225.03969	1.0
236.20073	4.1
244.20729	0.9
253.03401	0.6
253.77414	0.5
254.21227	5.7
255.05014	0.7
255.10312	0.6
259.09351	0.6
262.21756	1.9
264.23224	0.7
267.05167	0.9
274.21744	4.8
285.06149	0.9
292.22742	5.6
310.23761	2.9
313.05933	0.7
328.24850	27.7
338.08499	0.6
346.25912	43.6
347.26605	0.7
370.25882	1.5
388.27084	1.3
506.30148	1.8
694.33044	1.9
712.33899	100.0
713.34473	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	712.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02320	0.5
53.03936	0.7
53.58249	0.6
55.01878	5.3
55.05524	2.4
56.04995	1.6
57.03437	6.0
58.06582	0.4
59.04967	0.7
60.04531	8.7
61.02895	1.3
65.03902	0.7
67.05512	3.0
67.98173	0.6
68.05006	1.1
68.99757	0.4
69.03433	4.6
69.07034	1.7
69.52538	0.4
70.06588	3.6
71.01354	2.2
71.04993	4.0
71.56865	0.7
72.04472	1.4
72.08128	0.6
73.02924	4.6
79.05502	3.6
80.05022	6.9
81.03381	1.3
81.07072	3.3
82.06577	3.3
83.01336	2.7
83.04945	1.9
83.08604	0.5
83.32439	0.4
84.04448	1.6
84.08128	1.2
85.02909	10.5
85.06526	1.3
86.06036	0.7
86.09705	0.7
87.00792	1.3
87.04467	6.4
89.02394	2.4
90.05523	0.9
91.05485	2.2
93.07062	3.4
94.06567	9.3
95.01286	1.9
95.04947	1.1
95.08622	2.8
96.08096	0.9
97.02897	12.8
97.06479	2.0
98.06014	0.9
98.97573	0.8
99.00842	0.6
99.04438	0.8
101.02383	8.8
103.03899	1.3
105.06966	1.5
106.06576	0.5
107.08559	1.3
108.08083	1.8
109.02818	0.5
109.10106	0.9
110.06007	0.7
110.09663	0.7
111.00811	4.2
111.08041	1.8
113.02383	2.9
115.03937	20.0
116.07060	1.3
119.03378	1.5
119.08538	1.4
120.08045	1.4
121.10094	1.1
122.09631	0.6
123.08022	1.0
125.02312	1.6
127.03870	1.0
129.01012	0.6
129.01848	7.1
131.03343	0.6
131.08565	0.7
133.05019	2.1
133.10086	0.8
134.09619	0.8
135.11639	0.6
136.06207	5.9
136.07281	1.0
137.09554	0.5
138.12729	0.8
139.03893	0.7
141.01828	1.2
143.02333	0.7
143.03403	14.1
145.04965	0.6
145.10078	0.7
147.11656	0.6
151.03908	0.6
153.01839	0.7
155.03351	1.9
157.01337	14.3
159.02867	0.9
159.11668	0.7
161.04477	4.8
161.84271	0.5
163.11020	0.6
163.14726	0.4
171.02888	2.5
175.02386	0.7
175.14781	0.5
179.14301	1.5
189.03949	14.8
190.15805	0.6
195.02910	1.2
206.15463	0.5
207.04890	0.6
224.20058	2.3
225.03764	0.5
225.08890	0.5
236.20088	4.4
244.20667	1.0
246.18594	0.5
254.21187	6.3
262.21713	2.0
264.19641	0.5
264.23242	1.3
267.05121	0.7
270.21573	0.4
272.22345	0.7
274.21649	5.9
280.09235	0.5
285.06058	1.0
292.22708	5.9
298.59540	0.5
310.23734	4.0
311.05707	0.7
313.05807	0.5
323.81985	0.6
326.23416	0.6
328.24835	28.4
329.25134	1.3
330.26093	0.6
331.06647	1.0
341.06555	1.4
346.25906	60.2
347.26285	2.4
370.25946	2.1
374.25388	0.7
388.26920	3.5
506.29767	2.6
507.29968	1.2
518.16699	2.7
694.33008	3.3
712.33862	100.0
713.34082	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	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
55.05509	16.3
57.03177	1.4
57.03432	7.2
57.07077	1.8
59.04986	1.3
61.02932	11.3
67.05506	39.5
69.03414	4.4
69.07070	13.3
71.04961	3.0
71.08624	3.5
71.56492	1.9
73.02897	4.4
79.05491	26.0
79.05953	1.5
81.03409	6.9
81.07058	33.0
83.04960	4.9
83.08622	9.3
84.50977	1.0
85.02422	1.5
85.02904	13.4
85.06533	2.0
85.08312	1.2
86.15283	1.2
91.03963	10.4
91.05484	21.2
93.07046	30.1
94.33762	1.2
95.04966	5.3
95.08607	23.8
95.53004	1.2
97.02910	11.1
97.06542	7.6
97.10157	5.6
99.04452	1.6
99.08086	2.8
103.03911	1.9
105.07025	22.0
107.04927	2.2
107.08596	23.7
109.06490	3.0
109.10165	24.4
111.08073	3.9
117.07021	6.3
119.07822	1.6
119.08591	18.3
121.06506	1.7
121.10140	15.9
123.08039	2.6
123.11672	2.6
125.09663	7.9
127.03914	5.4
129.05463	1.5
129.06987	4.6
131.08569	7.8
133.10135	16.9
135.08080	1.6
135.11693	13.4
137.09612	1.8
139.11182	1.8
143.08528	3.5
145.04956	4.3
145.10106	8.0
147.11681	12.2
149.09589	1.3
149.13284	6.6
151.11188	3.4
153.12753	1.8
157.10139	3.0
158.04584	1.3
159.11676	9.0
161.13254	8.3
163.06001	4.4
163.11206	3.8
163.14789	2.4
165.12691	2.5
165.31319	1.5
171.11696	2.9
173.11742	5.5
173.13268	4.1
175.14891	3.0
177.12787	2.1
179.14331	8.5
181.12140	1.4
185.13211	1.5
187.14757	1.2
189.11214	1.7
189.12823	1.4
192.03726	1.3
193.12331	1.7
195.13809	1.5
199.14861	2.6
203.12604	1.2
209.11685	2.1
217.38380	1.1
222.84370	1.4
227.12822	3.6
229.14359	16.9
241.19545	5.3
242.36163	1.2
257.13715	1.9
259.20554	17.3
269.17426	5.2
272.41006	1.4
277.21628	23.8
283.15344	2.1
297.16928	2.5
301.16382	3.6
327.66211	1.3
333.24048	2.1
351.25293	100.0
352.25620	2.1
369.26389	10.1
495.29300	3.5
513.30676	6.4
710.32843	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	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05516	7.7
57.03448	5.5
57.07066	2.6
61.02649	0.8
61.02932	14.3
65.03928	0.9
67.05178	1.2
67.05509	21.6
69.03430	2.6
69.07072	8.2
70.81248	1.7
71.01360	0.7
71.04987	1.9
71.08652	0.8
73.02914	6.1
79.05496	30.1
81.03416	1.4
81.07060	22.2
83.04980	1.1
83.08620	3.8
85.02907	15.2
85.06532	2.0
91.03960	11.9
91.05486	27.3
93.07050	42.6
95.04958	3.3
95.08611	17.2
97.02886	6.7
97.06509	2.0
97.10168	1.7
99.04428	1.0
99.08096	1.9
103.05412	0.8
105.04565	0.7
105.07037	31.7
107.04962	1.5
107.08599	22.2
109.06512	1.9
109.10175	8.3
111.08093	1.1
113.09686	1.0
115.03946	1.1
117.07031	8.1
119.08583	25.1
121.09316	1.3
121.10156	20.6
123.08107	1.2
123.11722	1.9
127.03909	2.7
129.07019	6.5
131.08582	11.3
133.10126	24.0
135.08072	0.8
135.11711	18.6
137.09619	1.3
143.08551	6.0
145.04959	4.8
145.10127	11.0
147.08107	0.8
147.11691	19.3
149.09625	1.9
149.13269	9.9
151.11165	1.0
157.10083	4.1
159.11702	9.9
161.09598	1.1
161.13263	15.8
163.06004	8.2
163.11209	1.9
163.14861	3.6
167.90642	0.8
169.10191	1.0
171.11697	6.9
173.13255	5.5
175.11237	1.1
175.14821	7.6
177.12798	1.4
185.13274	6.7
187.14832	1.6
189.12712	0.7
195.11624	0.8
199.14818	3.5
213.16315	1.8
215.17862	1.0
217.19608	1.3
231.17471	1.2
231.21045	3.3
235.16849	0.9
241.19527	13.9
259.20590	44.1
260.20892	1.4
271.39160	0.8
277.21619	6.1
283.11807	0.7
291.32327	0.7
295.20395	0.7
308.43802	0.8
333.24207	8.4
339.23154	0.9
343.22928	1.0
349.24045	0.8
351.25305	100.0
352.25650	2.1
357.15619	0.7
363.25262	2.2
365.15332	1.2
367.22806	1.7
375.25281	3.2
385.23645	1.2
387.25220	1.2
403.24634	0.7
417.26321	1.8
426.72238	0.7
429.26334	1.3
441.26450	5.7
441.32407	0.9
459.27475	3.3
477.28589	4.2
495.29517	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	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01879	1.7
55.05515	7.3
55.78815	0.8
56.96561	1.0
57.03438	4.0
57.07065	1.7
61.02932	13.2
67.05508	20.6
67.51313	1.0
69.03434	2.3
69.07073	5.9
71.04987	2.4
71.26383	1.7
72.10037	0.8
73.02936	4.7
75.04493	1.2
79.05499	27.1
81.03420	3.2
81.07063	20.3
83.04987	1.0
83.08615	5.1
85.02428	1.5
85.02913	18.5
85.06552	2.1
91.03967	14.5
91.05489	25.5
92.39634	0.9
93.07050	32.2
95.04975	1.6
95.08607	15.9
97.02906	8.1
97.06520	3.8
97.10178	2.0
98.97585	1.1
99.04482	1.1
99.08113	1.6
103.05463	1.0
105.07039	29.5
107.04976	1.3
107.08604	20.0
109.06571	1.0
109.10169	8.0
111.08047	1.3
117.07041	7.9
119.08588	25.7
121.10154	16.2
123.08116	1.0
123.11713	1.4
125.09607	1.5
127.03893	4.6
129.06993	4.6
131.00211	1.1
131.08572	11.2
131.29811	0.9
133.10135	23.8
133.11086	1.4
135.08092	2.0
135.11705	14.6
137.09618	1.7
141.07001	1.1
142.07770	1.0
143.08542	5.0
145.05000	5.0
145.10130	10.7
147.11708	21.8
149.01219	1.1
149.09624	2.2
149.13249	8.6
151.11223	1.4
157.10121	6.7
159.11699	10.7
161.13281	13.1
163.06041	10.3
163.11183	1.8
163.14807	2.1
169.10068	1.2
171.11684	7.0
173.13297	6.6
175.11185	2.1
175.14819	7.5
177.12833	1.6
185.13290	6.0
187.14862	1.6
189.12737	1.9
199.14841	3.3
203.14333	1.5
213.16377	2.2
231.21048	3.1
241.19534	15.5
248.38687	0.9
259.20605	45.0
259.23370	2.1
260.20911	1.1
277.21881	1.4
283.20184	0.9
284.12753	1.1
333.24347	2.7
349.23962	1.3
350.23669	1.0
351.25305	100.0
352.25684	2.3
357.15579	1.1
363.25452	2.8
365.15439	6.8
375.25214	1.8
385.23819	1.1
387.25189	0.9
421.25830	0.9
441.26083	2.7
459.27365	3.8
477.28668	2.6
495.29834	4.2
542.54346	1.0
711.34424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.07188	1.8
55.01868	3.6
55.05514	10.4
57.03440	4.0
61.02927	14.7
65.03928	3.0
67.05505	24.8
69.03424	4.7
69.07062	7.7
69.51591	7.6
69.51999	4.7
71.04995	1.9
73.02917	8.9
79.05495	35.8
81.03425	6.7
81.07063	25.5
83.04990	3.4
83.08620	6.2
84.08129	1.7
85.02907	17.5
85.93934	1.7
87.04453	1.6
91.03960	11.3
91.04954	3.4
91.05486	30.9
93.07049	46.5
95.04968	6.7
95.08612	20.5
97.02892	9.6
97.06532	5.3
97.10147	2.8
98.97601	2.2
105.07037	30.2
106.07350	2.1
107.04952	2.1
107.08601	23.4
109.06501	3.2
109.10171	10.1
111.08048	3.5
117.07010	7.4
119.08585	30.6
121.10151	23.6
123.11729	2.0
127.03892	5.6
129.06967	7.1
131.08580	14.6
133.10141	21.6
133.44272	2.1
135.08043	2.4
135.11694	21.2
143.08566	7.1
145.04945	4.7
145.10156	11.8
147.04468	2.5
147.11697	20.3
149.01183	2.1
149.13268	11.3
149.28935	1.8
157.10127	5.9
159.11693	10.8
161.13257	10.1
163.06026	6.4
163.11166	3.8
163.14824	3.0
171.11665	5.0
173.13261	4.2
175.14838	5.9
177.12698	2.3
185.13307	6.1
199.14824	4.3
224.08017	2.2
231.21077	3.2
231.63310	1.8
241.19460	14.0
259.20584	43.8
277.21558	4.1
333.24213	8.7
351.25308	100.0
352.25412	2.6
364.14340	9.4
375.25061	3.2
417.26398	2.4
429.26270	2.1
441.26184	5.2
459.27289	2.7
477.28470	4.9
495.29581	16.3
572.33600	1.9
607.16815	1.9
657.14124	1.9
710.32831	4.3
711.32739	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	710.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64167	0.7
53.03944	2.7
55.01872	2.4
55.05524	4.4
55.91618	1.0
56.05025	0.9
57.03163	0.6
57.03434	12.8
59.05011	1.9
60.04527	16.4
61.02924	3.3
67.05504	6.3
68.05031	1.2
69.03430	51.6
69.07063	3.2
70.06594	3.7
71.01353	1.7
71.04993	2.4
71.57209	1.4
72.04530	1.5
72.08171	1.3
73.02919	3.4
74.06074	1.3
75.04487	1.0
77.10167	0.9
79.05500	2.5
80.05014	5.8
81.03416	13.8
81.07072	4.5
82.06572	1.6
83.04984	7.7
83.08611	1.3
83.12075	0.7
83.94176	0.7
84.04549	0.8
84.05275	0.8
84.08141	1.4
85.02906	48.0
86.06057	1.2
86.09735	2.1
87.00832	9.8
87.04469	19.8
91.03928	1.5
91.05466	2.5
93.03374	0.9
93.07038	1.9
94.06567	5.0
95.04951	1.4
95.08629	3.7
96.04568	1.0
97.02893	43.7
97.06525	1.7
98.06075	1.3
99.04439	4.9
103.03938	2.4
105.01870	5.7
105.07069	1.4
106.05200	0.9
106.06595	1.3
107.08599	1.9
109.02882	13.1
109.03583	1.0
109.10149	1.2
110.06043	2.6
111.04461	5.9
114.05537	1.2
115.03938	12.8
116.07070	1.1
117.01923	1.0
119.08680	0.9
120.08117	2.6
121.10150	2.1
127.03926	19.6
128.07079	1.4
129.01857	2.9
129.05502	3.2
131.05026	1.2
132.06601	4.8
133.04973	7.1
134.09674	1.0
137.06030	1.4
145.04988	4.3
146.08112	1.2
147.04373	0.9
153.05511	1.4
158.08113	0.9
159.01740	1.0
159.02937	3.5
159.96194	0.8
163.07561	2.0
169.04980	1.2
176.09206	0.9
187.06100	2.4
188.27737	0.9
189.03949	1.0
201.04010	2.7
215.05476	1.4
226.21774	1.7
231.05026	2.2
238.21669	1.5
256.22827	2.8
276.15256	1.0
276.23239	2.0
294.24463	4.2
312.25363	9.8
327.07230	0.9
328.24689	0.9
330.26392	100.0
331.26434	1.3
348.86783	0.8
372.27573	3.2
462.30753	1.6
492.31723	3.1
504.31610	1.0
534.10858	1.0
534.32721	12.2
576.34692	0.9
578.31702	43.3
579.32147	1.0
617.09003	0.9
666.36816	12.8
710.35962	96.0
711.35565	4.3
744.94507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
53.43438	1.3
55.01874	8.1
55.05508	17.8
56.81024	1.3
56.96561	1.5
57.03440	7.2
57.07068	1.8
59.04980	1.8
61.02919	4.2
61.89589	1.5
62.15588	1.5
65.03949	1.5
67.05169	2.3
67.05502	27.7
69.03416	6.1
69.07077	23.9
70.06570	1.7
71.04973	2.9
71.57399	2.4
73.02925	3.2
79.05494	31.4
81.03417	10.2
81.07050	25.8
83.04975	6.1
83.08622	11.1
85.02898	10.3
85.06521	2.1
91.03961	3.6
91.04955	2.7
91.05484	26.1
93.07043	21.6
94.06723	1.5
95.04986	7.2
95.08608	16.8
97.02911	7.2
97.06521	14.2
97.10171	12.5
99.08064	2.0
100.12967	1.9
105.07037	22.8
107.04941	6.8
107.08595	39.1
109.02866	2.7
109.06523	3.5
109.10143	12.6
111.04459	1.8
111.08054	3.4
117.06998	8.0
119.04888	1.7
119.08578	17.3
121.06556	2.8
121.10142	11.5
123.08098	2.9
123.11724	3.0
125.09648	10.9
127.03902	4.8
129.06998	3.7
131.00188	2.0
131.08588	11.5
133.10147	15.5
135.08076	5.4
135.11667	5.6
143.08569	4.0
145.04994	2.0
145.10143	13.9
147.04387	2.3
147.11668	11.4
149.09621	9.7
149.13248	3.6
151.11153	2.0
155.10687	1.8
157.10127	4.6
159.11667	11.4
161.13283	1.8
163.11147	4.2
165.09138	3.7
171.10252	3.2
171.11662	3.4
173.11760	3.9
173.13246	3.3
177.12706	4.5
187.11288	2.0
189.11252	4.9
193.12212	2.3
195.13963	1.6
205.12306	1.7
227.12758	9.9
229.14320	14.0
239.17964	3.9
245.13832	4.4
247.20671	1.7
257.18982	11.4
269.17416	10.5
275.20065	28.4
285.17093	2.1
293.05234	2.3
293.21060	3.4
300.24249	1.5
301.09970	1.8
309.20566	3.0
331.22757	2.8
335.72131	1.8
349.23737	100.0
350.24191	7.8
365.15317	2.9
367.24756	24.1
374.15933	7.1
374.65976	2.0
483.27612	2.5
493.28116	4.4
499.84732	1.7
511.29343	9.5
529.29993	2.9
530.36151	1.6
709.38226	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	709.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01880	7.6
55.05517	15.5
57.03436	7.6
61.02931	6.9
61.64896	1.3
65.03957	2.8
67.05505	34.0
69.03426	6.6
69.07077	16.4
70.06580	2.5
71.04997	4.0
71.57375	2.2
73.02928	2.5
79.05496	33.4
81.03415	9.5
81.07058	29.3
83.04977	6.9
83.08611	10.4
85.02909	9.7
85.06556	2.2
91.03948	4.4
91.05477	19.6
92.05814	1.8
93.07053	25.4
94.07388	1.3
95.04993	8.2
95.08611	16.6
97.02880	10.5
97.06527	15.4
97.10188	10.5
99.04432	2.6
105.07041	21.6
107.04951	5.7
107.08601	38.9
107.24700	1.4
109.02881	3.1
109.06538	3.3
109.10161	14.3
111.08107	2.0
117.07042	8.6
119.08583	16.1
121.06507	4.0
121.10151	10.8
123.08025	2.6
123.11707	4.8
125.09635	11.4
127.03893	3.5
129.07028	3.0
131.00177	1.6
131.08583	12.5
133.10150	14.3
135.08067	4.0
135.11671	6.8
137.09610	2.9
143.08549	2.1
145.10130	13.9
147.04402	3.1
147.08076	1.4
147.11702	10.2
149.09615	13.1
149.13268	3.4
151.11192	1.8
153.09138	1.8
157.10164	4.1
159.11664	8.3
161.13274	2.9
163.03923	1.8
163.11186	6.7
165.09090	4.2
165.12741	1.8
169.10175	2.0
171.11700	3.1
173.11667	4.4
173.13297	3.8
177.12791	2.0
179.14333	1.9
189.11264	7.5
191.79201	1.3
193.12230	2.6
197.13232	2.1
211.13181	2.1
227.12770	9.5
229.14375	14.4
229.19528	2.5
233.15479	1.6
239.17915	4.7
245.13919	5.1
251.16371	1.4
255.16064	1.6
257.19049	14.1
267.15906	1.7
269.17371	9.9
270.17664	1.8
275.20065	23.9
276.20203	2.2
293.21014	3.2
313.63922	1.5
331.22623	2.2
349.23743	100.0
350.24045	8.9
365.15274	1.9
367.24820	27.3
368.25070	1.6
369.62842	1.5
374.15906	9.3
374.66092	3.5
384.80539	1.4
397.82184	1.6
476.27103	1.8
483.28082	2.2
493.27628	1.9
511.29034	6.4
512.29034	4.1
517.77991	1.7
529.30103	3.3
655.46924	1.8
709.41235	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	707.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01871	3.9
55.05514	3.2
57.03442	16.1
57.07073	0.5
61.02942	2.3
65.03930	1.3
67.05510	20.3
69.03425	1.8
69.07086	2.7
69.91174	2.0
71.05000	2.0
73.02927	1.1
79.05068	0.7
79.05499	11.4
81.03432	1.5
81.07062	8.2
83.04979	1.4
83.08618	1.7
85.02912	3.0
85.06551	14.7
87.15852	0.3
91.03946	1.9
91.05490	10.1
93.07049	11.1
93.90438	0.4
95.04977	29.6
95.08620	5.7
97.02881	2.1
97.06525	3.3
97.10178	1.1
98.21481	0.5
98.97568	0.4
99.04413	0.4
105.07039	7.1
107.04972	4.4
107.08607	7.3
109.06526	31.3
109.10146	1.3
111.04442	0.6
111.08082	0.5
113.06015	47.3
117.07026	5.8
119.08595	5.5
121.06506	2.9
121.10158	3.7
123.08057	1.7
127.03990	0.9
128.06221	0.7
129.06993	3.2
131.08566	7.6
133.06487	1.6
133.10144	4.1
135.08061	20.5
135.11690	2.7
137.05995	0.7
137.09610	0.6
141.07025	0.5
143.08575	4.3
145.04996	0.6
145.10109	4.8
147.08096	2.7
147.11684	1.6
149.09657	2.6
149.13293	1.2
155.08575	0.7
157.10123	3.0
159.08086	1.3
159.11734	2.1
161.09627	5.2
161.13300	0.6
163.11194	1.5
165.09081	0.6
171.11642	2.0
173.13307	1.2
175.11221	1.3
177.12779	1.4
183.11716	0.7
185.09680	0.5
185.13277	1.0
187.11195	0.6
187.14780	0.5
187.86807	0.4
193.12158	0.4
195.14023	0.4
199.11177	0.9
199.14874	1.8
201.12721	1.2
217.15895	6.7
219.13814	0.7
222.52394	0.4
233.15376	0.6
245.19049	0.6
255.17442	1.8
273.18527	11.7
273.21588	0.6
279.16141	0.5
291.19559	34.8
292.19843	0.7
307.02768	0.5
307.18924	2.8
309.20752	0.7
347.22198	6.0
365.23251	100.0
366.23679	2.2
373.15021	0.5
469.16653	0.4
473.25491	0.7
487.17493	1.0
491.26401	1.1
509.27267	1.5
527.28741	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	707.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01879	5.2
55.05512	5.0
56.96564	0.9
57.03188	1.5
57.03443	16.5
57.07069	1.0
61.02913	3.0
64.26210	0.8
65.03934	2.2
67.05505	26.7
69.03411	2.3
69.07072	5.4
70.06585	2.6
71.04977	2.0
71.56528	0.8
73.02908	1.1
79.05076	1.1
79.05498	15.0
81.03433	4.2
81.07064	17.3
83.04959	2.8
83.08611	2.5
84.08138	1.3
85.02906	5.2
85.06545	13.7
86.09688	2.4
91.03952	2.1
91.05482	14.0
93.07053	14.1
95.04974	35.3
95.08601	7.4
97.02876	3.2
97.06534	13.2
97.10160	1.3
98.97585	1.7
105.07023	9.5
106.87170	0.8
107.04963	4.5
107.08601	9.7
109.06521	34.3
109.10159	4.5
110.43255	0.8
111.04420	3.4
111.08081	1.6
113.06007	36.3
117.07031	7.1
119.08588	6.2
121.06513	3.1
121.10134	5.7
123.08062	3.3
129.07016	4.4
131.00169	1.2
131.08585	9.3
133.06508	1.6
133.10120	5.8
135.08055	30.9
135.11703	4.7
137.06001	1.3
139.71980	0.9
141.06979	1.3
143.08568	4.6
145.04968	1.0
145.10118	6.6
147.04411	1.5
147.08017	3.3
147.11644	1.8
149.01250	0.8
149.09608	3.3
149.13287	1.6
155.08522	1.5
157.10114	4.0
158.99605	1.1
159.07985	1.8
159.11684	3.6
161.09628	5.6
161.13219	1.7
163.07521	1.1
163.11172	2.9
171.11732	2.1
173.13304	1.6
175.11162	1.9
177.12714	1.8
183.11649	1.3
187.07515	0.8
187.11165	1.1
193.12154	1.1
195.11642	1.3
199.11272	1.1
199.14766	2.1
217.15892	5.6
227.12674	1.5
227.17941	1.0
229.14337	1.3
245.19029	2.1
255.17519	1.7
267.16132	1.7
273.18527	18.0
283.15320	1.3
291.19550	63.0
292.19937	1.2
293.13245	1.2
293.63263	1.0
295.06158	1.4
307.19006	1.6
347.22205	13.0
365.23239	100.0
365.65894	1.1
366.23587	1.8
374.15921	5.4
374.66147	4.4
383.24170	3.5
402.07004	1.0
411.69028	1.0
461.16193	1.9
469.16666	1.0
475.26782	1.4
483.21429	0.9
487.17578	5.1
505.18420	1.1
509.27280	1.4
515.16852	1.2
642.62714	0.9
661.22711	1.2
689.22003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
52.82800	1.2
52.88773	1.4
53.03940	4.5
55.01878	7.0
55.05515	16.8
56.96556	1.5
57.03436	10.9
58.43977	1.2
61.02926	7.6
62.52322	1.5
62.93093	1.4
64.10295	1.6
67.05173	2.1
67.05505	29.6
69.03432	11.8
69.07069	17.2
70.06587	2.6
71.04972	4.9
73.02921	2.5
79.05491	22.8
81.03416	37.0
81.07059	35.0
83.04976	10.3
83.08623	14.8
85.02903	17.2
85.06530	4.0
91.03944	4.5
91.05478	23.3
93.07040	23.1
95.04976	16.7
95.08608	12.7
97.02894	14.4
97.06528	8.1
97.10182	8.6
99.04444	2.6
103.05446	2.0
105.07028	21.7
107.04963	9.7
107.08591	17.8
109.02866	4.9
109.06512	4.5
109.10159	16.1
111.04414	3.2
111.08067	5.1
115.05421	2.4
117.07030	5.5
119.04961	2.3
119.08583	15.0
121.06498	6.4
121.10144	11.8
123.08064	6.2
123.11707	4.7
125.09625	8.8
127.03906	6.5
128.06267	2.2
129.06993	6.5
131.08543	11.9
133.06485	5.9
133.09238	1.9
133.10139	18.7
135.08070	7.5
135.11705	4.0
137.05949	2.0
137.09566	3.5
143.08563	3.5
145.05038	1.3
145.06439	1.8
145.10109	6.4
147.08029	5.2
147.11697	8.1
149.05983	1.6
149.09596	7.6
149.13255	1.9
151.11171	7.8
157.10139	7.9
159.08105	2.6
159.11714	3.1
161.09633	6.1
163.11205	3.6
165.09096	2.0
165.12822	2.9
169.12184	2.5
171.11684	3.4
173.09552	1.5
175.11201	7.0
185.09732	1.6
189.11139	4.3
193.12253	25.3
195.13690	1.6
205.12125	1.7
211.13281	14.8
217.07594	1.7
223.13390	8.2
225.02574	1.3
227.12695	3.7
229.14375	2.0
245.13850	2.0
245.19041	3.0
249.14983	1.9
253.14369	8.5
263.20114	1.6
267.15912	9.3
269.10852	2.6
269.14008	1.5
269.17438	2.2
271.15527	3.0
273.18478	17.1
285.16971	59.5
291.19550	39.0
309.16965	2.0
309.20386	1.8
311.06000	1.7
347.21960	7.3
363.12610	4.0
365.23230	100.0
366.23346	2.5
373.15021	5.0
383.24170	3.5
389.23367	2.1
407.23987	1.7
429.21121	7.8
509.27530	4.4
517.92096	1.8
527.28485	18.6
611.13550	1.8
651.37128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
57.96496	0.3
58.35714	0.4
69.48024	2.4
82.99425	0.4
82.99872	1.2
86.29610	0.4
94.99889	0.5
100.42605	0.4
101.00872	6.7
109.02859	0.5
113.00876	1.2
119.01919	7.0
122.01373	2.7
122.51463	0.6
127.02415	1.3
128.01367	1.1
131.01903	5.1
131.51944	0.4
137.01897	1.9
139.02370	0.6
143.01889	19.4
143.51976	0.6
145.03462	5.2
147.01373	0.6
149.01910	0.8
152.02426	1.6
153.03929	0.4
155.01881	10.6
155.03113	0.7
156.92087	0.4
157.03455	3.5
161.02946	13.7
163.04552	0.4
164.02472	1.1
167.01886	9.3
167.03290	0.5
169.03473	3.0
171.01422	0.4
171.05000	1.6
173.02954	14.0
173.53050	1.2
174.03119	0.6
175.04477	0.5
179.01772	3.6
185.02948	30.3
186.03229	0.5
187.04561	3.0
194.03427	0.7
197.02936	13.0
198.03140	0.5
199.04480	0.6
203.03973	8.3
203.54190	0.7
208.04495	0.5
209.02950	1.1
212.04411	0.4
215.04005	6.7
221.04993	0.9
224.04657	0.6
227.03983	7.4
239.03879	0.4
245.05069	100.0
246.05267	2.3
254.05669	0.7
257.05063	5.6
263.06119	10.5
275.03091	0.6
275.06110	11.6
276.06241	0.5
284.06601	3.3
284.56631	1.4
287.06079	0.5
293.07205	3.3
305.07196	12.2
317.07175	0.5
325.34067	0.4
335.08243	3.6
347.08188	1.2
364.59283	0.5
365.09299	46.8
365.59363	1.2
366.09500	1.3
383.10318	1.4
407.10367	0.7
425.11411	40.6
426.11365	1.3
437.11472	2.1
455.02362	0.4
455.12653	3.3
485.13312	1.4
567.35913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23771	0.3
53.86965	0.3
55.46554	0.3
57.03413	0.6
71.41728	0.5
78.60426	0.3
82.99805	1.8
85.02882	0.9
94.99850	0.8
97.02878	1.2
101.00198	0.4
101.00874	6.9
109.02878	0.6
113.00866	1.6
115.71365	0.4
119.01040	0.4
119.01917	8.4
122.01384	6.0
122.51438	0.7
127.02436	1.8
127.03892	0.6
128.01384	2.3
129.00337	0.5
131.01915	8.2
131.51953	1.2
134.01294	0.4
137.00896	0.5
137.01903	4.9
137.02910	0.5
138.05452	0.5
139.02411	0.5
143.01895	24.4
143.51961	1.4
145.03467	7.1
147.01370	1.0
149.01865	1.5
149.02946	0.4
149.52008	0.5
152.02422	3.9
152.52478	0.5
153.03931	0.6
155.01889	11.1
157.03456	3.5
158.02414	1.7
158.63126	0.3
160.18127	0.3
161.02965	13.1
163.04504	0.6
164.02402	1.8
167.01884	10.3
167.03256	0.7
169.03438	2.5
170.02341	0.7
171.01402	0.7
171.05014	2.2
173.02968	19.9
173.53061	2.0
174.02902	0.5
175.04497	1.0
179.01759	3.4
179.03250	0.5
179.52950	0.5
181.03426	0.7
182.03453	1.3
185.02960	31.9
186.03082	0.5
187.04530	3.7
188.03458	0.8
191.04044	0.5
193.03448	0.5
194.03491	1.8
197.02945	12.5
199.04546	0.4
203.03995	12.9
203.54109	1.9
208.04529	0.5
209.02943	1.7
212.04507	0.5
215.02072	0.6
215.04022	8.5
221.04999	0.8
224.04619	2.2
224.54669	0.3
227.04036	8.3
233.04935	0.5
239.04126	1.1
243.02113	0.4
245.05070	100.0
246.05104	1.8
254.05559	1.8
254.55748	0.4
257.05084	5.3
263.06125	11.1
275.06116	12.4
283.06555	0.6
284.06659	8.9
284.56778	1.6
285.06610	0.4
286.07669	0.6
287.06143	0.5
293.07138	3.4
305.07175	13.4
316.08942	0.4
317.07147	0.6
335.08209	3.8
347.08243	0.7
364.09525	0.5
364.59500	0.5
365.09296	52.9
365.59305	2.6
366.09363	1.3
374.09512	0.5
383.10187	1.3
407.10364	1.2
425.11401	45.0
426.11612	1.0
437.11508	2.8
455.12503	3.8
485.13516	1.4
497.13791	0.4
527.14441	0.6
577.26312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05533	0.4
69.98454	0.6
69.98864	1.2
72.39991	0.3
72.69518	0.3
79.62159	0.3
81.79987	0.4
82.99910	1.2
85.02895	0.7
97.02906	0.7
101.00867	5.2
110.01420	0.7
113.00884	1.5
119.01011	0.5
119.01919	7.2
122.01402	4.9
122.51473	1.2
123.32839	0.3
127.02480	1.3
128.01408	1.6
128.51472	0.4
129.00380	0.6
131.01915	9.0
131.51985	1.3
132.01823	0.5
133.52136	0.5
134.01369	0.8
137.01923	5.8
137.02942	0.7
137.51950	0.7
139.02425	0.6
143.01906	23.1
143.51967	2.0
145.03476	5.8
147.01425	0.7
147.04430	1.0
148.04813	0.4
149.01904	1.9
152.02429	3.7
152.52513	0.5
153.04057	0.6
155.01894	8.8
157.03452	3.3
158.02414	1.7
158.52510	0.5
161.02960	14.4
163.04523	0.7
164.02505	1.5
167.01865	7.0
167.03036	0.8
167.52980	0.4
169.03458	2.2
171.05069	1.9
173.02963	22.1
173.53000	2.0
174.02937	0.5
175.04555	1.1
179.01624	2.4
179.03065	1.3
181.03461	0.8
182.03517	1.1
185.02954	30.4
186.03206	0.6
187.04495	2.9
191.04033	0.8
194.03366	2.0
194.53569	0.5
197.02953	10.7
199.04492	0.7
203.03938	14.0
203.54099	1.1
209.02901	1.7
212.04533	0.8
215.02045	0.6
215.04031	6.8
221.05086	0.7
224.04492	1.7
224.54715	0.4
227.03995	8.6
239.04092	0.6
239.55299	0.4
243.02136	0.6
245.05078	100.0
246.05214	2.0
254.05502	1.4
257.05066	4.9
263.06149	12.6
275.06125	13.3
284.06653	8.7
284.56686	1.7
285.06555	0.6
286.07639	0.6
287.06070	0.5
292.89731	0.4
293.07153	3.2
305.07181	12.6
317.07062	0.7
335.08170	3.7
347.08157	1.0
365.09344	50.1
365.59418	3.0
366.09320	1.2
383.10562	1.9
407.10278	0.6
425.11426	41.4
426.11856	0.8
437.11292	2.0
455.12433	3.5
485.13541	0.8
494.28375	0.5
514.97632	0.4
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
55.05521	0.7
57.07078	6.9
58.06608	2.7
58.82550	0.6
65.03946	3.9
65.91802	0.5
67.05505	1.2
69.03442	0.7
69.07034	0.6
69.90017	2.4
69.90438	0.7
70.06595	20.7
71.08636	2.3
72.08154	0.7
73.45422	0.5
79.01847	0.5
79.05511	0.8
81.07059	0.9
84.08155	1.2
85.02909	0.8
85.10213	1.3
86.09723	1.3
88.07638	19.3
95.08603	0.8
100.90543	0.5
102.09186	13.2
105.07016	1.0
107.08588	0.7
110.99187	0.7
121.02889	2.1
132.10196	1.6
139.03917	2.3
146.11801	1.3
149.02359	57.7
149.03459	6.0
175.03984	1.9
177.05547	0.6
193.04979	28.7
212.23911	0.7
219.06606	0.9
225.05472	0.9
237.07631	3.4
242.68150	0.5
256.26367	49.9
263.09149	0.7
269.04666	0.9
288.55246	0.6
297.04013	1.3
300.28940	7.2
313.06891	1.0
335.25848	0.8
341.06638	3.1
359.07623	2.7
385.09140	9.5
386.09900	0.6
403.10257	11.7
403.15146	0.9
429.11880	19.5
473.14413	12.9
617.41193	0.5
640.35608	1.3
684.37622	1.2
702.38440	100.0
703.39087	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	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47503	0.3
53.85286	0.3
66.34760	0.3
67.05506	0.5
71.56953	0.3
71.57371	0.4
81.07063	0.4
93.07057	0.3
107.05011	0.4
119.08607	0.4
168.71234	0.3
185.04266	0.8
259.07953	0.5
347.09549	1.3
504.33966	0.4
539.31940	23.7
540.32300	0.7
701.37195	100.0
702.37738	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	699.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.3
55.05462	1.8
56.96517	13.1
56.96824	1.0
67.05460	1.0
69.03371	0.3
69.07040	0.3
70.20966	1.2
71.95262	1.7
72.95995	0.8
74.97590	0.4
79.05466	0.5
81.03341	0.9
81.06985	0.9
83.08620	1.6
83.47773	0.3
84.95996	0.6
85.02847	0.3
91.05430	0.9
93.07026	0.6
95.04906	0.4
95.08559	0.8
97.02876	0.7
97.96797	0.5
98.97542	0.3
105.00105	0.5
105.06966	0.9
107.04877	0.3
107.08537	0.4
109.02818	0.4
109.06449	0.3
109.10120	0.8
110.97545	1.6
115.00643	0.6
119.08551	0.7
122.32526	0.3
127.00602	0.4
127.03885	0.8
128.98558	1.0
129.02074	0.4
131.08495	0.4
133.01726	0.4
133.10054	0.9
137.02702	0.7
141.02180	0.8
145.10057	0.5
146.99588	0.5
147.04343	0.6
151.00650	0.5
153.02167	0.5
155.03748	0.9
157.01666	0.4
159.03226	0.7
163.03868	0.3
167.03726	0.7
169.01845	0.3
169.05302	0.3
171.03241	1.0
171.06970	0.4
173.04816	0.6
173.13252	0.4
175.14777	0.4
179.07324	0.5
181.05301	0.5
183.03239	0.5
185.04839	1.8
189.04332	0.4
189.07921	0.8
195.06909	1.4
199.06442	3.8
201.07860	0.6
203.05911	1.6
205.07443	0.5
207.06886	0.6
209.04869	0.4
211.06334	1.6
211.09918	0.4
213.03961	2.0
213.07977	11.7
217.05533	0.6
217.07468	3.9
219.07019	0.4
221.08424	1.1
223.02838	0.3
223.10033	0.9
225.07962	4.1
225.11597	0.4
227.09607	0.9
229.07475	9.5
231.06764	0.7
231.09036	10.1
236.09644	0.4
237.08002	2.6
239.09593	4.5
241.11107	10.3
243.09052	3.7
247.08519	6.1
251.09532	9.0
251.12189	0.5
252.08989	0.4
253.11133	1.4
255.09070	4.5
257.07031	0.4
257.10605	2.5
258.07654	0.4
259.12186	9.2
261.10092	0.6
264.12787	0.7
265.10831	0.3
267.09000	0.7
269.10605	46.2
270.10773	0.7
271.12079	0.5
273.10123	2.0
278.10489	0.4
281.10419	0.7
282.13754	0.7
287.11655	16.5
292.12271	3.3
305.17862	0.5
309.17374	0.9
310.13120	0.6
315.16263	1.4
321.17389	0.4
323.18967	1.0
333.17346	20.0
339.18436	0.9
351.18427	35.6
352.18820	0.6
369.19482	100.0
370.19861	1.4
374.19925	3.1
387.20541	66.8
388.20847	1.6
392.21201	1.1
410.22165	13.9
411.22141	0.6
600.94482	0.3
613.26636	0.4
681.42731	1.0
699.43701	38.7
700.44177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43735	0.2
52.76329	0.2
54.77694	0.2
61.14050	0.2
63.33160	0.3
63.76281	0.2
64.06368	0.2
67.05531	0.3
69.73903	1.5
105.28966	0.2
108.12212	0.2
143.86972	0.2
149.27026	0.2
185.04228	1.0
203.05272	1.6
245.06258	0.3
253.63197	0.2
259.07962	1.3
305.08542	0.4
320.09055	0.3
347.09616	1.2
365.10583	3.1
421.12936	1.3
469.46716	0.2
537.30389	17.3
538.30695	0.5
591.58661	0.3
699.35614	100.0
700.35889	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	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01876	1.5
55.05511	19.3
57.03436	6.1
57.07079	11.8
61.02930	15.8
67.05508	26.2
69.03428	3.2
69.07069	37.6
71.04994	2.3
71.08630	8.4
71.57489	1.6
73.02905	7.5
75.04459	2.8
75.14098	1.2
79.05502	10.5
81.07059	33.9
83.04985	1.3
83.08620	27.1
85.02902	24.0
85.06523	2.1
85.10180	4.3
91.03955	21.3
91.05492	3.0
93.07045	17.6
95.08607	34.6
97.02895	14.0
97.06531	7.1
97.10174	20.8
99.04445	1.5
99.08098	1.9
105.07005	1.3
107.08588	14.8
109.02920	1.4
109.10166	19.3
111.08104	4.6
111.11732	4.9
115.03957	1.2
117.90945	1.2
121.10141	29.2
123.11720	7.1
125.09618	2.9
125.13296	2.5
127.03928	7.1
131.08618	1.4
135.11690	28.2
137.13237	3.5
139.11171	2.7
145.04959	12.4
149.13263	12.5
151.14806	3.6
153.12741	2.0
163.06012	21.1
163.14864	3.0
165.16426	3.2
177.16434	2.0
191.17949	2.2
213.18436	1.2
216.12309	2.1
247.24193	31.7
265.25269	90.1
266.25638	1.8
283.26306	19.4
339.28934	100.0
340.29391	3.3
357.30014	66.8
358.30396	1.7
395.62189	1.4
451.58331	1.4
501.34329	6.9
576.10748	1.1
666.33380	1.5
698.46881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01871	6.2
55.05503	3.0
56.05040	2.6
56.96558	1.3
57.03441	5.2
60.04526	17.5
61.02918	2.5
67.05509	5.7
68.05016	1.6
69.03432	6.8
69.07058	2.2
70.06594	11.9
71.01361	8.6
71.05005	3.5
71.57138	1.0
72.04518	2.6
72.08160	1.2
73.02918	6.1
74.06081	1.1
79.05487	4.0
80.05018	8.5
81.03419	3.9
81.07072	6.0
82.06574	4.3
83.01335	1.7
83.04987	1.5
83.08640	1.2
84.04507	3.0
84.08157	2.7
85.02908	25.2
85.06582	0.8
86.06075	1.8
86.09701	1.6
87.00872	0.9
87.04472	3.3
90.05562	2.5
91.03992	0.8
91.05491	4.3
93.07022	3.6
94.06578	9.9
95.01342	1.5
95.04977	2.0
95.08624	4.3
96.04491	1.7
96.08112	1.0
97.02894	18.4
97.06525	4.0
98.06053	1.1
98.97610	2.3
99.00813	1.6
99.04448	1.3
101.02377	7.7
102.05512	1.4
105.07034	3.3
106.06519	1.3
107.08600	1.6
108.08106	1.5
109.02878	1.5
109.06548	0.7
109.10170	2.5
110.06059	2.3
110.09698	1.0
111.00819	2.3
111.04441	1.3
111.08100	2.5
113.02388	5.5
115.03934	8.9
116.07122	1.5
119.03431	2.4
119.08599	2.1
120.08105	3.8
121.10148	2.1
122.06043	0.9
123.00781	1.0
123.04461	0.9
124.11230	0.8
125.02357	4.3
127.00327	0.8
127.03931	1.9
129.01852	4.3
131.03398	2.0
131.04980	1.3
131.08530	0.9
131.55702	0.8
132.06572	10.2
133.04968	1.8
133.10135	1.7
134.09666	1.5
135.08113	1.0
135.11691	0.9
136.06209	1.6
136.07629	1.0
137.02367	1.0
139.03926	0.9
141.01854	2.6
143.03395	19.4
145.04984	0.8
145.10168	1.2
147.02913	0.8
147.04459	1.5
148.11169	0.8
149.13307	0.9
151.03912	0.9
153.01900	0.8
157.01320	5.1
159.02953	2.2
161.04482	5.9
163.03871	0.8
175.02399	1.7
177.03992	0.8
179.14369	1.1
195.02945	1.4
206.15443	0.8
211.17000	0.9
213.03955	1.5
218.15536	0.8
224.20053	3.6
236.20044	4.2
237.18633	2.1
238.21684	1.3
241.03372	0.8
248.20085	1.0
254.21164	5.5
260.20129	5.2
262.21603	4.1
264.23328	1.1
266.21252	2.7
272.20163	3.1
274.21695	5.4
278.21295	1.9
287.05524	12.7
288.05850	10.4
290.21106	7.1
292.22668	6.5
300.21808	1.8
301.05734	1.4
308.22244	4.1
310.23740	3.7
326.23312	6.5
328.24820	27.0
344.24301	11.6
346.25897	31.2
356.24353	1.2
362.25357	19.7
370.25821	1.0
374.25357	1.1
386.25418	1.9
388.27063	1.1
404.26614	2.2
433.13983	2.5
450.11557	1.2
500.24725	3.8
501.25107	1.3
502.25601	2.6
506.29626	5.1
522.29327	1.0
535.11212	0.8
536.11182	2.1
566.27985	1.9
636.32434	1.9
680.19690	1.0
680.31226	26.6
698.32251	100.0
699.32745	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05516	10.6
57.03429	4.3
57.07078	10.0
60.73808	1.1
61.02927	25.6
62.82870	1.3
65.03936	1.7
67.05507	51.4
69.03413	3.0
69.06734	1.4
69.07073	21.0
69.81069	6.2
71.05009	2.0
71.08614	4.7
73.02930	9.7
74.13516	1.1
79.05492	16.0
81.03414	2.1
81.07059	70.0
83.04991	2.4
83.08627	18.2
83.40919	1.2
85.02428	2.6
85.02907	33.1
85.06514	1.8
85.10182	2.9
91.03957	28.5
91.05481	11.5
93.07040	20.1
95.04983	1.4
95.08608	63.1
97.02896	15.7
97.06520	6.7
97.10158	9.6
98.97546	1.8
99.04489	1.4
99.08090	2.8
105.07052	7.1
107.08607	13.9
109.02892	2.1
109.10155	34.9
111.08070	4.4
111.11710	2.7
113.09653	3.1
119.08589	10.9
121.10148	17.7
123.08091	1.7
123.11713	16.1
127.03912	10.1
127.11247	1.4
133.10139	12.4
135.11690	11.2
137.13257	7.1
139.11166	1.4
141.12729	3.2
145.04964	12.5
147.03108	2.6
147.11688	7.9
149.01233	2.5
149.13284	9.1
151.14816	4.6
155.14304	4.4
156.03616	3.4
161.13252	13.0
163.06044	23.1
163.14827	9.8
165.16405	6.5
169.44600	1.3
175.14867	9.1
177.16396	2.3
179.17918	6.4
189.16365	4.3
197.27850	1.5
203.17950	2.0
245.22653	62.0
261.21881	1.7
263.23712	100.0
264.24088	2.4
265.25348	2.6
277.13571	2.3
281.24814	3.0
306.63065	1.5
324.27939	1.3
337.27362	48.4
355.28540	9.2
439.25354	3.6
499.32489	1.9
534.29425	11.1
534.79114	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	695.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93444	0.1
56.96564	7.6
56.96825	0.5
57.16312	0.2
69.07020	0.2
70.45764	0.4
71.95262	1.0
72.95989	0.4
79.05487	0.8
81.07053	2.3
84.95972	0.5
91.05408	0.2
97.96782	0.9
98.97530	0.6
105.00121	0.3
107.08485	0.2
110.97542	1.7
112.99120	0.3
115.00640	0.2
115.97824	0.3
116.98618	0.4
119.01688	0.2
127.00658	0.3
128.98602	1.6
137.02672	0.5
139.00600	0.2
141.02234	0.2
143.00117	0.2
146.99623	0.4
147.04324	0.3
151.00665	0.3
151.04257	0.2
153.02159	0.5
155.03732	0.3
157.01582	0.2
159.03252	0.3
161.01173	0.3
167.00113	0.2
167.03677	0.4
169.01703	0.3
169.05301	0.3
171.03236	0.7
172.43254	0.2
173.04774	0.6
175.02763	0.2
181.05336	0.6
183.03346	0.3
184.03941	0.2
185.01143	0.2
185.04858	1.7
187.06396	0.7
189.04303	0.6
191.05946	0.3
193.05309	0.2
195.06880	1.1
197.04800	0.3
197.08575	0.2
198.05711	0.2
199.02696	0.4
199.06398	2.7
201.04376	0.2
201.07951	0.5
203.05930	1.0
205.01698	0.3
205.07413	1.1
207.03345	0.3
207.06963	0.3
209.04892	0.2
211.06418	1.4
213.07977	6.9
215.05846	0.2
217.05554	0.3
217.07465	2.2
221.04645	0.2
221.08514	0.4
223.02731	0.5
223.06421	0.4
223.08273	0.4
223.10089	0.6
225.04337	0.2
225.07968	3.1
226.08716	0.2
227.05984	0.3
227.09554	0.4
229.07477	9.1
231.09030	5.2
233.08481	0.5
235.09996	0.3
236.09634	0.4
237.04248	0.7
237.07979	1.5
239.05803	0.3
239.09547	3.1
240.06677	0.2
241.11122	4.0
242.08200	0.6
243.09055	2.7
247.08559	4.6
249.07930	0.5
251.05804	0.3
251.09554	6.2
252.09195	0.5
253.11133	0.9
254.10750	0.2
255.09055	6.9
257.10599	1.3
259.12195	3.3
260.09290	0.2
261.07980	0.6
261.10135	0.7
262.08743	0.4
263.06052	0.2
263.09308	0.2
266.10629	0.3
267.09015	0.6
269.10599	25.7
270.11041	0.3
271.12061	0.3
273.10135	2.9
278.10645	0.4
279.09082	2.2
280.09827	2.1
281.10638	0.3
283.12195	0.3
287.11664	7.9
292.12186	1.8
297.10110	2.6
298.10925	1.0
307.15616	0.3
313.14774	0.9
315.11191	1.3
316.11829	0.2
325.16928	0.2
331.15768	10.2
332.16351	0.2
337.16937	0.3
349.16858	15.0
367.17914	100.0
368.18262	2.3
372.18323	0.9
385.18994	9.8
390.19598	0.4
408.20560	4.9
467.38663	0.2
516.14056	0.2
677.39331	0.5
695.40527	15.8
696.41089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01871	1.3
55.05513	12.6
57.03439	8.3
57.07068	3.2
59.04998	1.0
59.68279	1.1
61.02930	32.2
65.03944	3.6
67.05507	73.8
69.03425	2.2
69.07076	10.8
70.65110	2.6
70.65471	2.0
71.04995	3.0
71.08618	1.9
73.02912	10.2
79.05492	42.8
81.03429	1.6
81.07060	79.6
83.04984	1.6
83.08617	9.4
85.02907	37.1
85.06541	2.5
91.03957	29.8
91.05479	23.7
93.07043	50.4
93.07634	2.4
94.81119	1.1
95.04985	2.5
95.08607	61.0
97.02892	16.3
97.06540	3.3
97.10184	4.2
99.04477	2.2
99.08098	2.8
100.65803	1.2
105.07032	17.5
107.08592	38.2
109.02879	1.5
109.06596	1.3
109.10162	39.1
111.08100	2.5
113.09637	1.5
115.03955	2.1
117.07022	9.1
118.16523	1.0
119.06081	1.2
119.08580	14.7
121.10150	35.2
123.08064	2.2
123.11712	17.5
127.03921	9.9
131.08575	20.6
133.10143	11.8
135.11696	28.5
137.09607	2.0
137.13222	8.1
139.11182	2.0
145.04974	13.3
145.10121	15.7
146.32410	1.1
147.11676	13.5
149.13255	23.5
151.11209	2.4
151.14813	2.7
153.12766	2.1
159.11690	14.4
161.13290	9.6
163.06032	18.8
163.14825	14.7
165.12718	3.8
173.13277	14.3
175.14752	5.6
177.12802	2.2
177.16402	6.8
177.36377	1.4
179.14328	2.2
187.14815	9.9
191.14218	1.9
200.27917	1.2
200.30147	1.1
201.16353	3.3
204.29233	1.2
205.15999	2.1
214.41409	1.2
215.18036	1.4
217.19600	1.3
233.22665	2.8
243.21097	35.6
243.31862	1.2
253.24564	1.2
261.22147	100.0
263.23642	2.1
279.23267	3.6
335.25778	32.2
353.26865	57.9
354.27289	1.7
497.31177	5.6
513.68719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01871	2.3
55.05517	7.6
55.05770	1.5
57.03423	6.4
57.07060	1.2
61.02916	3.1
67.05510	24.8
69.03421	2.7
69.07086	8.9
70.14989	2.7
70.95894	0.7
71.04973	2.4
71.08636	11.9
73.02914	1.1
79.05066	1.1
79.05499	19.2
81.03413	6.1
81.07065	25.1
83.04992	3.9
83.08617	7.7
85.02900	4.8
85.06532	2.1
91.03954	1.5
91.05486	15.7
93.06477	1.5
93.07053	28.6
95.04983	4.0
95.08054	1.3
95.08620	17.9
97.02890	7.6
97.06535	4.1
97.10171	2.7
99.04483	0.8
99.08104	7.9
100.66724	0.9
105.07037	14.3
106.01986	0.7
107.04956	2.2
107.08608	17.0
109.02866	1.3
109.06520	2.9
109.10160	11.1
111.08112	1.9
115.18617	0.8
117.07016	4.1
119.04956	1.2
119.08596	12.9
121.06470	1.0
121.09317	1.2
121.10155	13.0
123.08063	2.3
123.11723	3.6
125.09616	1.9
127.03916	2.6
129.05594	0.8
129.06982	2.5
131.08559	5.2
133.10126	11.2
135.08061	1.7
135.11707	14.2
137.09604	1.8
139.11142	0.8
143.08539	2.1
145.04979	1.2
145.10132	5.2
147.04407	2.4
147.11679	7.3
149.09645	1.4
149.13287	6.5
151.11177	6.9
157.10158	2.5
159.11725	4.9
161.09608	0.8
161.13260	6.9
161.55872	0.8
163.11214	2.2
163.14851	1.5
165.12788	0.8
171.11690	2.5
173.13284	2.7
177.12773	1.3
179.14336	21.8
183.11749	1.0
185.13284	1.8
189.12721	1.6
199.14810	2.0
221.15343	1.1
223.91225	0.8
229.14305	3.3
235.16983	1.0
237.70332	0.9
241.19501	1.9
259.20590	6.0
277.21649	22.2
295.22504	1.2
332.65479	0.9
333.24130	1.8
351.25317	100.0
352.25574	2.4
359.85419	0.8
369.26462	4.1
381.79083	0.9
385.23703	1.2
393.26230	1.0
459.27429	1.3
460.27759	1.0
477.28516	3.8
495.29611	4.6
513.30621	20.6
531.29791	1.0
547.41339	1.1
693.34772	15.4
693.45087	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	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61775	0.3
67.05520	0.5
69.29788	3.7
70.06566	1.1
79.05490	0.7
81.03415	0.6
84.04461	0.5
84.08133	0.5
85.02892	0.5
89.97019	0.3
91.05459	0.6
93.07059	0.5
94.06565	1.2
95.07357	0.6
96.08125	1.5
97.06492	1.4
98.21513	0.8
108.04469	0.9
108.08111	1.3
110.06041	1.3
110.09654	1.2
116.04979	1.3
120.08092	1.6
122.06033	3.5
124.07587	3.0
136.03893	0.4
136.07567	2.9
138.09119	1.9
144.04446	3.7
144.07974	0.4
146.05974	0.9
147.04414	0.5
148.07545	0.9
149.07077	0.5
150.05486	1.3
152.07100	2.6
158.06052	0.4
158.09615	0.9
160.03914	1.0
160.07582	1.7
160.10001	0.4
162.05493	1.8
164.07016	0.7
166.08646	2.3
166.87938	0.4
170.09598	0.7
172.03937	19.7
172.07544	0.7
174.09152	0.9
175.08733	0.7
175.12350	0.7
176.07114	0.8
178.04996	0.4
184.07555	0.6
186.09146	5.1
187.08687	1.4
188.07037	0.6
188.09409	0.9
188.10901	0.5
190.04974	2.7
190.08565	0.4
196.07567	0.8
198.09085	1.1
200.07089	0.7
200.10718	1.8
201.10167	1.0
202.09143	0.6
202.10925	2.6
203.11790	5.6
204.06561	26.4
212.10847	0.4
213.10207	2.0
214.06700	0.7
214.08643	10.9
215.08154	5.1
216.08849	0.5
217.09735	1.1
217.13278	0.4
224.07101	0.4
225.10207	0.5
227.11823	1.1
228.10185	3.5
229.09673	2.2
230.10475	0.9
231.11320	6.2
238.08722	0.6
241.09767	2.6
242.08058	2.1
243.11467	0.6
245.09256	0.8
245.12975	0.6
247.10828	1.6
255.11305	5.5
255.28638	0.4
256.09628	3.4
257.09219	0.7
257.12885	1.2
259.10779	79.8
260.11069	1.0
271.10788	0.6
273.12311	6.3
283.08121	0.4
283.10873	3.2
284.09100	0.7
301.11826	62.5
302.12039	0.7
317.11261	0.4
319.12878	100.0
320.13205	1.2
325.08310	0.7
325.11816	5.3
335.12448	0.8
337.13934	28.9
343.12939	0.6
357.14536	4.4
486.16577	0.6
501.16321	0.7
504.17499	0.9
510.18475	0.9
657.25391	1.0
675.26483	7.7
693.29291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12462	0.2
53.28627	0.2
55.01859	0.4
55.05505	0.7
65.03904	0.3
67.05498	0.6
69.03408	0.3
70.06577	0.9
70.95837	0.3
79.05482	0.4
81.03406	0.3
81.07069	0.5
83.04947	0.5
84.04487	0.3
84.08130	0.6
85.02883	0.7
85.06500	0.2
86.09692	0.5
89.03922	0.4
91.05476	1.0
93.07060	0.4
94.06542	1.0
95.04951	0.4
95.22461	0.2
96.08109	0.8
97.02918	0.2
97.06523	1.9
98.21498	0.7
98.24374	0.2
98.97551	0.4
99.04475	0.3
100.11253	0.3
107.05007	0.3
107.07310	0.2
108.04480	0.5
108.08128	0.9
110.06057	1.5
110.09669	0.9
116.04974	1.2
117.05823	0.3
119.04932	0.5
120.08108	1.2
122.06039	3.4
124.07592	2.4
132.08075	0.4
134.06024	0.7
136.07587	2.3
137.05989	0.4
138.05428	0.6
138.09128	1.0
144.04446	2.6
146.05963	0.6
146.09624	0.3
147.04407	3.2
148.04759	0.9
148.07591	0.4
149.07103	0.9
150.05548	1.6
152.07085	2.1
155.00078	0.3
158.06004	0.3
158.09683	0.6
159.06702	0.3
160.03932	0.3
160.07582	1.0
160.09988	0.3
162.05571	1.2
163.03844	0.3
164.07059	0.9
166.08627	1.5
170.09654	1.2
172.03941	14.5
172.07594	0.5
173.04593	0.4
173.08369	0.3
174.09181	0.6
175.08727	0.6
175.12332	0.8
177.05339	0.3
177.06677	0.3
178.05017	0.5
184.07626	0.4
186.09181	4.6
187.08679	1.6
187.13342	0.5
188.07108	0.5
188.09377	1.2
188.10847	0.3
190.04997	2.5
196.07613	0.9
198.09134	0.8
199.08551	0.3
199.12323	0.5
200.10722	1.5
201.10246	0.8
202.08673	0.7
202.10997	3.3
203.08261	0.3
203.11789	5.8
204.06564	19.9
212.06924	0.4
213.10187	1.8
214.08647	10.6
214.10686	0.4
215.08199	4.4
215.11559	0.3
216.08791	0.4
217.09711	1.1
225.10173	0.6
227.11774	0.9
228.10226	4.0
229.09685	2.0
229.13393	0.3
230.10437	1.3
231.11292	6.0
238.08614	0.4
239.11778	0.3
240.08887	0.6
241.09779	2.6
241.12355	0.3
241.13332	0.4
242.08221	2.1
243.11386	0.4
245.09180	0.9
245.12801	0.8
246.09932	0.4
247.10832	1.5
255.11296	4.5
256.09686	2.7
257.09314	0.8
257.12744	1.5
258.09976	0.4
259.10782	77.1
260.11145	1.3
267.11411	0.4
269.12918	0.7
271.10922	0.4
273.12350	6.4
283.10797	3.2
284.09125	0.5
285.12482	0.3
287.10330	0.3
287.13983	0.6
297.12399	0.8
301.11832	61.9
302.12155	1.1
303.13498	0.3
319.12881	100.0
320.13202	1.5
325.11859	3.6
329.14902	0.3
333.17014	0.4
335.12210	0.3
337.13940	30.4
338.14328	0.7
343.12933	0.5
357.14609	2.1
361.13580	0.3
469.95648	0.3
625.22998	0.4
643.23895	0.3
648.07129	0.3
661.24963	0.3
675.26349	0.4
693.28876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01629	0.4
55.01876	5.5
55.05304	0.4
55.05517	3.7
56.47114	0.4
57.03452	2.0
61.02912	1.5
61.54126	0.4
65.03934	0.5
67.05511	11.2
69.03429	1.4
69.06728	0.7
69.07076	12.1
69.91680	1.3
71.04980	0.9
73.02898	0.6
79.05495	7.8
81.03423	6.1
81.07063	16.5
83.04969	2.3
83.08621	2.1
84.59000	0.4
85.02911	2.8
85.06551	0.5
85.73186	0.4
91.03953	1.2
91.05489	13.7
93.07056	10.9
95.01345	4.1
95.04961	3.2
95.08617	10.3
97.02892	1.4
97.06539	12.6
97.10175	1.1
99.08103	0.6
103.05464	0.5
105.07038	20.1
107.04960	6.6
107.08606	5.7
109.02843	0.4
109.06511	1.7
109.10149	2.3
111.08069	0.9
117.07034	4.4
119.04911	0.4
119.08588	10.3
121.06501	1.6
121.10149	2.2
123.04446	1.4
123.08107	2.1
123.11748	0.6
125.09636	0.9
127.03937	0.8
129.07005	0.8
131.08575	6.1
133.06497	0.4
133.10141	11.7
135.08067	1.8
135.11679	3.4
137.09639	0.7
139.07584	0.6
141.07018	1.1
143.08574	1.1
145.06470	1.1
145.10129	5.2
147.04338	0.6
147.10655	0.5
147.11696	5.0
149.09622	2.1
149.13251	1.7
151.11215	0.8
155.08551	0.6
157.10130	1.3
159.11711	3.9
161.13261	1.9
163.11171	2.0
163.14960	0.4
165.09096	0.8
169.10182	1.1
171.11684	0.9
173.13301	1.3
175.14774	0.4
177.12764	1.8
179.14319	5.2
183.11708	0.9
185.13245	0.6
187.11203	2.0
197.13185	0.4
205.12167	0.5
207.13916	0.5
229.19621	0.6
247.20703	0.8
257.19070	1.4
273.18344	0.5
275.20071	19.0
293.20953	1.1
296.43323	0.6
349.23749	100.0
350.24069	1.5
391.25031	0.6
436.83813	0.4
457.25986	0.5
493.27896	1.1
511.29288	3.7
691.26154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69701	0.5
53.03938	1.5
53.68754	0.5
55.01880	3.2
55.05270	0.5
55.05516	7.6
55.77809	0.4
57.03448	2.3
58.40018	0.4
61.02917	1.6
65.03915	0.7
67.05177	0.8
67.05509	11.8
69.03423	1.8
69.07076	5.8
69.24577	3.5
69.24980	1.0
71.04983	1.3
73.02920	0.9
79.05498	17.7
79.05962	1.0
81.03425	2.3
81.07059	12.0
81.99697	0.4
83.04988	5.9
83.08625	3.6
85.02910	1.2
85.06541	0.8
91.03957	1.0
91.05485	11.2
91.71799	0.4
93.06474	0.8
93.07048	14.0
95.01304	1.0
95.04973	3.0
95.08608	6.9
97.02878	1.0
97.06537	5.5
97.10160	2.8
105.07034	14.6
107.04962	6.5
107.08596	12.4
109.06519	1.2
109.10178	5.1
111.08087	0.9
117.07005	3.3
119.08595	8.5
121.06528	1.3
121.10160	5.3
123.04496	0.5
123.08084	1.3
123.11703	1.0
125.09645	3.8
129.06984	1.2
131.08562	6.6
133.10135	9.0
135.08052	2.0
135.11713	2.2
137.09656	0.9
137.66357	0.4
141.07059	0.5
142.07756	0.5
143.08502	0.9
145.06349	0.4
145.10104	3.5
147.04395	0.5
147.11700	4.3
149.09621	11.3
149.13232	1.0
153.09096	0.6
157.10175	0.8
159.11682	3.6
161.13264	1.7
163.11195	1.6
163.14856	0.8
164.25197	0.4
165.09154	0.7
169.10123	0.8
169.12276	1.2
171.11635	0.9
173.11871	0.6
173.13289	1.7
177.12781	1.0
179.14319	1.9
182.30177	0.5
183.11734	0.6
187.11180	0.9
189.11276	1.5
209.15356	1.2
215.18082	0.5
220.00237	0.4
225.14813	0.6
227.12785	0.9
247.20602	0.8
257.19064	2.2
275.09134	1.0
275.20074	17.7
293.21011	0.7
349.23743	100.0
350.24167	2.4
365.65411	0.7
367.17941	0.6
367.24869	1.2
444.02570	0.5
460.27905	0.5
479.16901	0.6
493.28476	0.6
494.28464	0.7
511.28687	1.0
513.17877	0.6
553.20129	0.6
655.23743	0.6
672.38721	0.5
691.25964	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	691.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01877	0.9
55.05517	5.2
57.03191	1.2
57.03445	11.8
57.03713	0.9
57.07068	1.0
61.02914	3.2
65.03944	0.9
66.23742	0.7
66.91909	0.7
67.05510	12.0
69.03426	1.8
69.07078	3.6
69.25806	7.4
73.02929	1.4
79.05501	12.4
79.85974	0.7
80.44862	0.9
81.03413	1.7
81.07059	12.6
83.04987	1.9
83.08613	2.3
85.02911	4.6
85.06544	3.3
89.26946	0.7
91.03941	3.1
91.05486	17.6
93.06477	1.1
93.07050	16.3
95.04945	1.9
95.08615	10.1
97.02901	2.6
97.06532	2.3
97.10156	1.4
99.04448	1.7
101.94386	0.8
105.07034	13.8
107.04932	2.7
107.08590	8.4
109.02879	1.1
109.06511	3.4
109.10155	3.8
111.08064	1.3
117.07035	4.9
119.08591	11.2
121.10168	6.1
123.08076	1.4
127.03992	1.7
129.06992	2.5
131.08585	10.5
133.10130	8.0
135.08080	2.6
135.11703	3.6
137.09634	1.4
143.08617	1.3
145.04910	1.1
145.10132	5.8
147.11696	3.9
149.09619	2.3
149.13274	1.5
157.10133	1.9
159.11681	3.4
161.13260	1.8
163.05952	1.1
173.13235	1.6
173.57608	0.8
175.14824	1.1
177.12794	0.9
185.13255	2.8
201.16449	2.2
203.14342	1.7
219.17453	52.2
257.18951	1.1
259.20697	0.9
275.20139	8.3
293.21176	2.8
296.87201	0.8
349.23749	100.0
350.24115	2.2
351.25363	4.3
493.27966	2.0
494.28409	1.3
511.29001	4.0
529.21082	0.9
571.22632	0.9
610.05957	0.9
673.24683	0.8
691.26379	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	691.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01873	6.3
55.05511	15.3
57.03440	14.3
57.07075	2.5
61.02932	20.7
65.03937	2.1
67.05508	46.9
68.38528	1.2
69.03428	19.0
69.07068	16.3
70.06581	1.4
70.30074	5.4
71.01348	1.4
71.04990	6.1
73.02917	9.3
79.05502	30.7
81.03420	25.2
81.07060	58.7
83.04983	14.8
83.08620	9.8
85.02906	29.0
85.06544	4.0
91.03966	11.7
91.05484	33.9
93.07045	37.7
93.07629	2.1
95.04971	6.9
95.08606	24.0
96.54381	1.5
97.02901	24.5
97.06525	16.8
97.10164	2.4
99.04434	6.4
99.08098	4.3
101.02401	1.9
103.03934	4.0
105.07040	22.3
107.04964	7.4
107.07899	1.0
107.08603	25.1
109.02879	7.5
109.06549	6.8
109.10134	10.3
111.04444	2.4
111.08104	5.3
115.03940	2.2
117.07017	14.1
119.04916	1.7
119.08578	21.1
121.02881	1.5
121.06526	4.2
121.10138	13.5
123.08090	4.5
123.11694	5.2
125.09643	4.3
127.03909	12.0
129.05505	3.3
129.07028	4.1
131.08585	15.9
133.06488	1.6
133.10149	23.2
135.08047	5.2
135.11716	11.1
137.09639	2.5
143.08560	4.8
145.04962	5.2
145.10110	11.9
147.11703	9.8
149.09651	8.4
149.13252	18.0
151.11180	2.5
153.01831	2.2
155.08545	2.3
157.10126	4.5
159.08134	1.3
159.11699	19.4
161.09518	2.4
161.13286	3.9
163.06091	3.5
163.11197	4.1
169.10117	2.1
171.11725	2.8
173.04407	7.6
173.09583	2.0
173.13275	3.6
175.11174	2.6
175.21017	1.5
177.12729	19.2
179.14331	7.6
183.06538	3.6
183.11710	2.2
193.12334	1.7
195.13794	11.1
197.13261	2.2
201.07545	2.2
213.14824	3.2
229.14417	4.0
229.19406	1.6
233.15419	2.2
239.17885	2.8
247.20584	2.5
251.16473	4.4
255.15746	1.7
257.04288	2.6
257.19034	10.0
267.16068	2.2
269.17496	100.0
275.20062	31.6
285.17044	1.7
287.05560	2.3
293.17627	1.4
293.21118	5.0
298.57346	1.6
311.18481	1.7
331.22626	2.8
339.18347	1.7
349.23746	47.2
367.24820	19.9
377.19308	2.9
391.24683	2.7
395.20676	3.8
413.21835	12.7
431.22702	1.9
457.25659	1.8
475.27148	2.7
479.17154	8.6
493.28049	3.4
497.18076	6.8
511.29059	20.6
515.19055	8.2
529.30182	2.4
531.29340	1.4
575.26501	2.2
584.47229	1.4
612.81067	1.4
659.38062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01876	11.1
55.05264	2.4
55.05511	27.0
57.03234	1.4
57.03441	15.8
57.07079	1.8
59.05005	2.3
61.02930	29.0
65.03960	1.7
67.05507	51.0
69.03428	20.0
69.07066	24.4
69.50345	6.3
69.50749	2.9
71.04996	8.0
71.97183	1.4
73.02924	11.3
79.05494	45.8
80.95079	1.5
81.03423	18.2
81.07057	50.8
83.04978	11.1
83.08607	14.8
85.02428	2.3
85.02908	34.7
85.06529	2.4
87.04474	1.9
91.03961	19.0
91.05482	32.8
93.07047	39.6
95.01380	1.7
95.04979	9.3
95.08612	20.4
97.02898	33.4
97.06532	20.3
97.10168	14.9
98.21431	3.1
99.04451	5.8
99.08092	3.0
101.02348	2.4
103.03936	3.9
105.04546	1.4
105.06388	2.5
105.07034	32.7
107.04956	10.8
107.07864	2.5
107.08592	40.2
109.02876	10.1
109.06541	4.1
109.10155	28.3
110.58779	1.6
111.04438	3.6
111.08072	4.3
117.07014	12.3
119.08585	22.7
119.87398	1.4
121.06519	3.1
121.10142	13.8
123.08051	3.5
123.11675	4.8
125.09630	17.7
127.03916	13.1
129.05482	2.2
129.06964	5.9
131.08563	21.4
133.03424	1.5
133.06532	2.2
133.10139	24.9
133.84695	1.5
135.08028	6.3
135.11681	8.9
137.09598	4.4
139.07570	1.6
143.01886	1.6
143.08577	3.5
145.04962	8.2
145.06491	1.7
145.10124	13.7
147.08112	2.0
147.11670	10.2
149.09601	12.0
149.13249	9.8
151.11194	2.9
155.10654	5.1
157.10147	5.1
159.08025	1.9
159.11690	18.7
161.09584	2.0
161.13246	6.4
163.06009	3.4
163.11163	5.9
169.10126	3.8
171.10184	6.1
171.11659	3.7
173.04468	4.1
173.09639	1.9
173.11729	8.2
173.13301	6.4
175.11226	2.1
177.12778	9.3
177.24147	1.7
179.14319	4.6
183.06496	3.9
185.13185	2.0
187.11191	2.1
189.11214	10.3
189.12692	2.2
195.13799	5.0
197.13232	2.7
217.15891	1.6
219.13873	2.2
227.12766	17.3
229.14371	31.1
229.19470	2.5
236.60722	1.7
239.17982	3.6
245.13872	9.4
247.13168	1.8
247.20560	2.5
248.74727	1.5
251.12633	1.5
253.17998	2.1
257.04593	1.9
257.19064	12.6
269.17453	50.5
275.20053	45.4
283.15399	2.6
285.64551	1.7
293.21124	4.0
299.19980	2.1
317.13412	3.3
317.63428	2.9
331.22751	2.8
349.23737	100.0
350.23862	2.1
357.66724	2.1
365.65485	2.0
366.16583	2.9
366.67169	4.2
367.17429	2.6
367.24786	29.2
371.17023	2.3
377.19351	2.8
391.24719	5.1
413.21768	7.9
433.26239	1.8
475.26819	2.1
479.16959	6.5
493.27869	3.3
497.17996	3.2
511.29117	17.7
515.19244	3.5
547.55865	1.8
665.30304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
51.14539	0.9
53.03945	2.4
55.01870	1.6
55.05512	3.9
56.05030	2.0
56.96576	1.1
57.03436	4.8
60.04508	1.4
61.02932	28.5
62.06096	30.2
67.05507	7.7
68.05008	1.5
69.03445	7.5
69.07060	2.7
70.02634	4.1
70.06584	6.8
71.04991	2.6
72.04525	9.2
72.08145	1.0
73.02925	9.4
79.05499	6.2
80.04996	3.1
81.03426	38.9
81.07070	7.1
82.06580	1.5
83.04996	5.3
83.08634	11.6
84.04533	1.3
84.08123	1.9
85.02914	30.8
85.03427	1.5
86.06072	1.6
87.04485	1.7
88.07623	3.3
91.03958	19.6
91.05483	8.8
93.07037	4.9
94.06561	2.3
95.04977	12.7
95.08625	3.4
96.08144	1.5
97.02907	19.1
97.06542	2.3
97.10176	0.9
98.06059	7.1
98.97611	1.7
99.04443	2.4
100.07616	3.6
101.02385	1.4
105.07014	5.5
107.04964	4.1
107.08599	2.5
108.04437	0.9
109.02838	1.4
109.06533	1.8
109.10167	1.7
111.04462	1.3
111.08087	6.2
112.07624	2.6
114.09180	1.6
115.03952	1.6
116.07092	4.1
119.04939	1.2
119.08607	4.4
121.10144	4.3
123.08053	1.2
123.11713	1.0
124.07598	3.0
127.03944	7.5
129.07034	2.5
131.08569	3.9
133.06609	0.9
133.10107	1.8
138.12750	1.2
145.04991	6.7
145.10112	1.0
147.04428	7.0
147.11702	5.2
149.09630	4.7
151.11163	1.1
157.10129	6.8
163.06018	4.1
165.12849	1.3
175.11230	7.5
182.15396	3.6
189.12732	1.0
192.13843	2.8
193.12263	44.2
202.10880	2.4
210.14903	44.8
211.13309	4.3
224.11319	2.2
226.18050	3.6
228.15979	25.5
235.13362	1.4
236.16458	4.2
246.16989	2.4
254.17502	10.3
267.13028	1.5
267.15924	26.1
272.18463	2.2
284.18561	8.1
285.16983	70.6
302.19635	36.1
309.16956	7.7
320.20731	19.5
327.18118	1.9
328.21152	5.2
346.22266	50.8
351.18048	1.5
363.17975	2.1
386.16470	1.2
393.18805	1.2
411.20166	1.4
429.21191	1.8
461.70261	0.9
464.24472	1.5
482.25696	4.6
490.26205	1.1
508.27588	43.4
527.11310	1.1
543.37421	0.9
615.63684	1.0
644.30969	1.4
652.31360	2.1
670.32880	100.0
671.33014	2.6
688.34613	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01865	0.8
55.05515	11.3
57.03185	1.0
57.03443	10.9
57.07079	2.0
57.35053	0.6
59.05007	3.7
61.02932	4.4
61.27437	0.5
62.64132	0.6
65.03946	2.4
67.05507	100.0
69.03423	1.5
69.07072	7.7
69.24116	1.9
69.24527	4.4
71.04991	3.5
71.08627	0.6
73.02921	1.1
73.56580	0.6
79.05495	20.8
81.03432	1.4
81.07061	39.1
83.04983	0.8
83.08630	7.3
85.02910	4.5
85.06539	2.9
91.03966	2.1
91.05479	13.1
93.07047	25.8
94.79684	0.6
95.04970	2.0
95.08609	27.8
96.08984	0.7
97.02905	2.5
97.06543	1.9
97.10184	2.0
99.04389	0.6
99.08120	0.7
105.07028	7.7
107.08595	14.1
109.02930	0.8
109.06546	0.8
109.10162	81.0
110.10503	1.0
111.08076	3.3
113.09634	0.8
117.07076	3.1
119.08588	10.5
121.10144	12.5
123.08089	0.8
123.11726	3.1
125.09669	2.0
127.03907	0.8
131.08566	6.5
133.10135	4.1
135.11722	7.7
137.09621	3.8
137.13242	1.8
145.10129	5.0
147.11696	3.7
149.13277	4.5
155.10683	6.0
159.11700	3.6
161.13246	3.3
163.14786	1.9
173.11775	21.5
173.13275	3.7
175.14867	1.7
177.16438	1.4
187.14838	1.2
189.11176	1.1
198.06956	0.7
201.16356	0.8
227.12820	4.4
229.14360	94.7
230.14662	1.3
243.21056	4.6
261.22156	18.7
262.22455	0.7
299.14957	1.2
317.24725	2.7
335.25809	80.4
336.26126	2.3
376.24835	0.6
379.29889	0.8
397.31039	1.3
415.31671	1.2
421.59451	0.8
468.29285	0.7
471.34863	1.1
489.35776	65.4
490.35962	2.1
507.36874	3.3
686.48956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.96556	0.4
67.05486	0.9
69.03429	0.5
69.07048	0.3
69.28930	0.8
69.29337	1.9
76.80430	0.3
79.05489	0.7
81.03452	0.3
81.07079	0.6
91.05463	0.6
93.07034	0.8
95.05011	0.4
95.08582	0.3
105.07021	0.8
105.52656	0.3
107.08605	0.5
109.10152	0.4
109.20155	0.3
113.81043	0.3
121.10143	0.4
127.46740	0.3
145.03481	0.3
151.06041	0.3
173.02895	0.5
185.04231	0.7
203.05280	2.0
205.53288	0.3
246.06422	0.3
259.07932	1.2
287.18771	0.9
347.09439	1.8
349.42413	0.3
365.10446	3.0
394.08188	0.4
421.13287	1.3
523.28815	20.0
524.29205	0.6
685.34058	100.0
686.34515	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	684.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20779	0.7
53.03943	3.7
55.01866	3.2
55.05508	9.8
56.05841	3.5
57.03440	1.7
61.02916	2.7
63.75325	0.8
68.99790	1.3
69.03436	9.6
69.07059	1.4
70.06619	5.7
71.05006	2.0
71.57116	0.9
72.08150	1.4
72.87813	0.7
73.02926	1.9
79.05500	3.7
81.03429	16.7
81.07060	1.3
82.06588	2.9
82.30531	0.8
83.05023	1.1
83.06899	0.8
83.08623	5.8
84.08174	1.6
84.08950	2.9
85.02912	22.2
86.09702	1.9
87.00843	9.2
87.04451	1.5
91.03952	1.2
91.05494	2.7
93.07046	0.9
94.06583	0.8
95.04935	0.9
97.02888	11.3
97.06498	0.8
99.04455	3.0
99.10023	1.1
100.07609	2.2
100.11265	34.8
101.10984	1.5
101.11586	17.3
102.11924	4.2
103.05489	2.1
105.01875	5.8
105.07030	1.9
107.04952	8.4
108.04494	2.4
109.02879	11.8
110.06061	0.9
111.04462	4.0
111.06380	0.9
112.04768	2.2
112.07651	1.3
113.04913	1.2
113.29767	0.8
115.05472	3.5
117.01877	1.2
117.07029	11.0
119.08577	1.0
123.04462	1.7
124.05250	1.6
126.05547	1.7
126.09190	1.1
127.03928	18.8
128.07106	2.8
129.01833	1.2
129.07027	1.0
130.04146	1.0
130.06532	0.8
131.04950	1.0
131.08577	2.6
133.06491	1.2
137.05972	1.7
137.58401	0.8
139.08644	0.8
139.84599	0.9
140.07057	1.0
144.05754	2.7
145.04999	7.8
145.06514	23.9
147.02921	1.2
147.04416	2.2
147.08076	1.2
152.04691	1.6
155.06061	3.1
156.05661	5.0
157.06514	2.7
158.11713	0.8
159.02898	7.5
159.08081	5.8
161.06004	3.0
167.07050	42.2
173.05992	50.1
175.07607	1.8
181.05055	1.1
181.74934	0.8
182.15379	7.3
183.15755	7.7
184.05202	1.5
184.16068	4.9
185.16238	1.1
187.07582	5.8
190.06239	28.3
191.07111	1.3
193.08621	1.5
195.06572	1.2
201.09373	0.8
202.06259	1.9
202.07988	0.9
203.07024	5.6
204.07599	0.9
205.08611	100.0
207.06532	1.8
207.10191	0.9
209.16473	7.1
210.14940	6.1
210.16904	8.5
211.15268	8.5
211.17204	3.6
212.15446	6.0
212.17258	1.0
213.03960	1.1
213.15819	2.7
215.07153	1.3
217.08611	37.9
219.08194	1.4
219.10248	4.1
223.09689	2.3
226.19022	1.1
227.17493	1.0
227.19536	1.5
228.17857	1.3
229.15872	0.9
231.05077	3.6
231.10271	0.8
233.09752	1.2
235.09653	27.4
247.07512	1.4
247.09665	7.3
248.08095	2.5
262.09836	1.3
262.18488	0.8
263.10852	1.4
265.10730	53.1
269.08038	1.6
271.09814	1.6
275.06879	1.4
277.08456	1.0
278.70679	0.8
279.10217	1.2
291.10236	1.5
293.08051	1.5
307.09756	1.1
308.10342	1.5
315.08701	6.5
319.09671	0.9
323.12894	2.2
330.10983	12.9
331.11868	2.6
333.23315	1.1
336.10229	1.3
337.23184	1.3
339.12381	2.4
342.23779	4.2
342.74146	3.2
343.11719	1.3
350.23132	0.9
351.12299	4.4
351.24442	23.2
351.74542	5.6
359.23425	3.8
359.73611	2.4
368.12619	1.6
369.13437	2.7
371.14813	4.7
383.14841	18.3
385.16656	1.6
401.16019	22.6
454.36935	0.9
455.36566	1.1
475.31345	1.1
484.90436	0.9
556.46692	1.1
665.50940	7.2
683.52350	70.7
684.52454	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	683.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.0
56.05024	0.6
60.04510	1.7
61.91392	0.4
65.03929	0.8
67.05481	1.9
69.03419	0.8
69.07075	0.7
69.31207	0.4
70.06596	2.8
72.08163	0.7
73.02905	0.4
79.05495	2.2
80.05010	1.1
81.03389	0.8
81.07059	3.2
82.06580	0.8
83.04957	0.7
83.08621	1.0
84.08131	1.2
85.02905	0.8
86.09700	1.5
88.73904	0.5
91.05485	12.9
93.07040	1.4
94.06568	1.9
95.04955	0.4
95.07365	0.5
95.08601	1.8
96.08132	2.3
97.02892	0.9
97.06525	0.8
97.08899	3.9
97.10171	1.8
105.07008	1.6
107.04944	0.9
107.07324	0.6
107.08601	1.4
108.08064	1.0
109.10149	0.8
110.09666	2.1
119.04949	30.0
119.08575	1.2
120.08093	1.4
121.10158	0.9
122.09692	2.4
123.04442	1.0
124.11276	0.4
125.09649	1.4
125.95650	0.4
131.08551	0.6
133.10162	0.9
134.09645	1.1
135.10519	0.5
135.11703	1.0
136.07503	0.5
136.11212	4.1
138.12756	0.4
146.09673	0.7
147.04419	80.7
148.11256	0.7
150.12819	1.2
152.14301	0.6
160.07741	0.5
174.12787	0.6
178.16022	0.7
199.63306	0.4
206.19054	0.5
218.19174	0.5
277.22919	0.6
281.65140	0.4
289.22757	0.6
317.45572	0.5
327.26517	2.1
337.24777	0.4
350.26840	0.9
351.26517	2.9
445.34470	0.6
463.35257	2.2
465.34512	0.5
471.35760	1.0
483.35983	1.6
489.36978	1.1
501.37000	2.2
519.37988	10.1
520.36438	0.6
537.39032	50.1
538.39502	1.3
665.41846	6.3
683.42706	100.0
684.42767	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	681.294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24056	0.3
51.44498	0.2
53.50141	0.2
55.01891	0.3
56.23674	0.3
60.04539	0.4
61.17896	0.2
67.05516	0.5
69.22945	1.7
69.23372	0.9
70.06596	1.1
72.88902	0.2
80.05032	0.4
81.03436	0.6
81.07047	0.2
83.04974	0.4
84.08139	0.5
85.02905	0.7
86.09698	0.4
93.07046	0.5
95.04961	0.3
95.08633	0.3
97.02904	0.6
98.21468	0.5
98.97608	0.4
101.02399	0.3
104.07189	0.3
110.07114	0.3
130.32170	0.3
137.06001	0.6
147.04434	0.4
162.77135	0.3
176.72159	0.3
185.04269	0.4
203.05338	1.1
251.11421	0.3
259.07928	1.3
269.12405	0.4
283.06335	0.3
298.00412	0.3
303.10947	0.3
328.24878	0.6
346.26102	0.7
347.09439	1.3
351.63547	0.3
357.18823	2.9
363.49951	0.3
365.10577	3.1
365.14822	0.4
421.13147	1.2
459.22195	0.6
469.20300	0.4
484.25259	0.4
485.25684	0.9
487.21545	0.9
501.23401	0.6
519.24200	24.0
631.24500	0.5
649.26465	0.5
663.29651	0.3
681.29456	100.0
682.30603	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	680.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01879	1.9
55.05512	11.9
57.03444	7.7
57.07084	2.4
61.02930	25.6
62.75364	0.9
65.03938	2.3
67.05508	61.0
69.03435	4.8
69.07071	11.4
69.38651	1.2
69.39063	5.8
71.00020	0.8
71.04995	2.2
71.08621	1.3
73.02919	10.3
75.04473	2.0
79.05497	38.8
81.03426	2.2
81.07061	71.0
83.04998	1.6
83.08625	6.4
85.02909	30.4
85.06557	2.6
91.03960	27.8
91.04897	1.2
91.05480	22.1
91.06012	1.6
93.07047	51.2
94.07402	1.2
95.04982	2.4
95.08610	70.6
97.02900	14.6
97.06531	3.3
97.10167	3.5
99.04426	2.4
99.08092	3.0
103.03914	1.1
103.05495	0.9
105.04519	1.1
105.07034	20.9
107.08599	43.2
109.02883	1.0
109.06518	1.9
109.10160	38.5
111.08103	2.7
113.09649	1.3
115.03972	2.0
117.07018	6.8
119.08591	18.9
121.10148	35.6
123.08054	2.0
123.11704	14.3
125.09612	2.3
127.03906	10.1
127.11049	0.9
131.08577	19.0
133.10143	15.6
135.08084	1.3
135.11696	32.1
137.09645	3.6
137.13278	4.3
139.11211	2.6
145.04950	12.9
145.10126	20.0
147.04393	0.9
147.11710	16.2
149.13264	26.0
151.11140	4.5
151.14861	0.8
159.11702	18.0
161.13261	5.1
163.06021	20.6
163.07397	1.2
163.11214	0.9
163.14845	8.6
163.72574	0.8
165.12740	3.0
171.11778	1.0
173.13264	15.9
175.14830	1.6
177.12787	1.8
179.14323	1.9
185.13380	0.9
187.14812	6.3
189.16415	1.2
191.14317	1.9
201.16429	3.6
203.17918	1.0
205.15930	1.8
219.21106	3.6
229.19521	44.6
246.03542	0.8
247.20583	100.0
248.20981	1.7
249.22208	2.0
265.21683	5.3
285.10324	0.8
303.23068	1.2
321.24255	36.4
339.25308	63.2
369.24564	0.8
465.28604	1.3
483.29587	7.2
544.16998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57041	1.1
53.03942	2.5
55.01871	1.4
55.05264	1.7
55.05515	21.7
57.03439	8.6
57.07085	11.1
61.02929	19.4
65.03954	1.5
67.05508	81.6
69.03428	3.6
69.06722	2.0
69.07071	30.3
71.04987	2.1
71.08630	6.5
71.57028	2.2
73.02908	5.6
79.05505	24.2
81.03419	2.0
81.07061	91.4
83.04984	2.2
83.08623	22.5
85.02911	20.3
85.06545	2.4
85.10164	2.0
91.03972	17.6
91.04958	2.2
91.05482	20.0
93.07045	27.2
95.04954	2.9
95.08611	89.0
97.02894	9.9
97.06545	8.0
97.10181	17.1
99.04469	1.4
99.08076	2.7
103.03938	2.0
105.07027	13.4
107.08606	18.3
109.06490	2.2
109.10161	43.3
111.08093	5.4
111.11708	4.7
113.09636	1.9
115.03918	1.7
119.08590	15.9
121.10152	24.5
123.08028	1.8
123.11711	17.6
125.09625	2.3
125.13255	1.5
127.03933	6.2
127.11180	1.4
131.08612	2.1
133.10147	17.2
135.11688	14.1
137.09602	2.0
137.13278	8.4
139.11288	1.8
141.12733	2.8
145.04962	9.3
147.11705	12.0
149.13295	8.0
151.11172	1.3
151.14810	6.8
155.14313	4.8
161.13277	14.7
163.06067	11.2
163.14824	12.8
165.12859	1.7
165.16399	12.6
167.14328	1.7
175.14836	9.6
177.16368	4.0
179.14311	1.6
179.17981	7.8
189.16365	6.3
191.06085	1.2
193.16000	1.3
245.22672	66.4
263.23718	100.0
281.24783	2.2
337.27390	73.3
338.27747	1.4
355.28491	10.5
499.32886	7.0
679.36505	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34058	2.7
53.03947	3.5
55.05514	15.6
57.03432	8.3
57.07058	4.3
58.28762	2.7
61.02934	20.8
65.03957	3.2
66.43069	2.8
67.05176	5.1
67.05508	83.3
69.07071	14.8
70.06593	3.3
71.05001	5.9
73.02917	5.3
73.89227	2.7
79.05496	51.4
81.07058	81.3
82.15327	2.8
83.08619	8.0
85.02908	22.4
88.07607	3.1
91.03949	16.2
91.05477	21.9
93.07046	63.3
95.04977	5.5
95.08612	67.3
97.02893	12.7
97.06542	4.6
97.10153	6.5
97.39269	2.8
99.08118	2.8
101.91850	2.7
103.72865	2.9
105.07026	21.2
107.08594	38.6
109.10172	40.9
111.11706	3.2
117.07011	11.1
119.08591	20.6
121.10148	34.7
123.11712	21.0
127.03915	7.1
131.08575	26.9
133.10081	13.2
135.11691	29.2
137.13275	5.3
145.04974	6.1
145.10121	18.4
147.11687	10.4
149.02394	3.4
149.13260	26.2
151.14804	3.5
159.11668	12.6
159.86461	2.8
161.13274	11.3
163.06032	15.4
163.14832	15.7
173.13298	19.3
175.14789	5.1
177.16428	9.2
187.14818	10.4
193.05040	7.0
201.16376	4.9
233.22644	5.7
243.21111	38.0
256.26382	13.0
261.22147	100.0
279.23315	5.5
327.82877	3.5
335.25787	38.6
353.26913	44.6
363.83804	2.8
365.97110	3.3
497.30896	8.6
677.35834	13.3
677.54651	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.05512	12.7
57.03428	4.4
57.07066	4.3
60.54993	1.1
61.02925	28.4
65.03941	2.8
66.59632	1.2
67.05505	73.6
69.03426	4.8
69.07068	11.5
69.81801	7.1
71.04981	3.4
73.02915	11.7
79.05492	42.4
80.15282	1.2
81.03446	2.7
81.07053	82.1
83.04976	1.8
83.08615	8.9
85.02905	29.8
85.06529	3.5
91.03955	31.3
91.05466	23.7
93.07043	54.4
95.04975	4.2
95.08604	58.9
97.02889	14.2
97.06551	4.3
97.10164	5.2
98.20759	1.2
99.04496	1.1
99.08088	3.0
105.07028	16.3
107.08592	36.9
109.02831	1.4
109.06527	2.2
109.10155	35.9
111.08103	1.3
111.11775	1.1
113.09650	1.3
115.03915	1.8
117.07021	9.3
119.08575	17.3
121.10144	42.3
123.08054	1.4
123.11707	17.3
125.09660	1.6
125.38400	1.2
127.03910	9.5
129.06967	1.4
131.07602	1.3
131.08565	19.8
133.10126	16.7
135.11694	29.4
137.09618	3.1
137.13223	7.9
139.11166	1.6
145.04965	14.0
145.10118	16.6
147.11681	12.4
149.09663	1.7
149.13257	22.8
151.11180	2.2
153.12737	2.0
159.11690	17.1
161.13251	13.2
163.06009	20.2
163.11165	1.4
163.14848	14.8
165.12775	4.4
173.13255	17.1
175.14816	4.0
177.12653	1.5
177.16373	4.4
179.14275	2.9
185.13489	1.1
187.14842	11.1
191.14305	2.1
201.16382	3.3
201.93810	1.1
205.15791	2.0
215.17987	2.7
219.17363	1.6
233.22696	3.2
243.21088	34.7
261.22141	100.0
263.23602	1.8
279.23215	3.3
288.20898	1.1
305.52490	1.3
317.24570	1.7
335.25797	16.7
353.22382	1.9
353.26877	37.2
461.42877	1.3
479.30310	2.2
497.31116	3.7
525.27319	1.3
677.36438	1.8
681.96460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01856	1.6
55.05510	11.4
57.03426	6.0
57.07064	3.6
61.02929	19.4
65.03933	2.2
67.05508	77.1
69.03419	4.3
69.07067	11.9
69.35281	10.8
71.05001	2.5
73.02927	7.3
75.04467	1.7
75.23560	1.2
79.05494	41.1
81.03423	1.8
81.07060	84.9
83.05006	2.6
83.08606	7.8
85.02913	20.7
85.06558	2.6
91.03960	18.9
91.05485	21.9
93.07053	50.6
95.04971	2.7
95.08613	68.9
97.02892	10.3
97.06502	3.7
97.10168	4.1
99.04476	2.0
99.08083	3.2
103.05451	1.5
105.07036	17.4
107.08598	33.3
109.06507	2.5
109.09457	2.4
109.10168	34.9
111.08079	2.6
111.11703	1.5
117.07018	7.8
119.08597	14.6
121.09323	2.3
121.10152	37.8
123.11722	20.8
125.09595	1.9
127.03909	5.7
131.08554	18.6
131.28030	1.3
133.10147	14.3
135.11691	29.9
137.09581	1.9
137.13231	7.6
144.79367	1.4
145.04987	10.1
145.10139	15.6
147.11705	10.5
149.13275	21.7
151.11162	1.9
151.14795	3.8
159.11685	16.8
161.13257	9.8
163.06033	15.3
163.14813	16.2
165.12712	2.6
173.13257	15.8
175.14809	4.1
177.12729	2.1
177.16414	6.3
179.14317	3.7
182.41843	1.5
187.14810	10.4
189.16360	2.0
191.14270	2.4
201.16347	3.8
205.15912	2.5
219.17499	2.2
219.73370	1.5
233.03658	1.3
233.22606	3.1
243.21078	32.4
254.10281	1.8
261.22156	100.0
262.22537	1.8
263.23761	1.9
279.23239	5.7
335.25818	36.4
335.29898	2.6
353.26886	45.2
354.27057	1.9
369.23950	1.5
497.31375	8.5
553.71545	1.5
665.79962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65687	0.2
70.34511	0.6
70.34845	0.2
79.05514	0.2
81.07066	0.3
82.78316	0.2
85.22748	0.2
93.07050	0.2
95.08598	0.2
114.90499	0.2
143.76176	0.2
172.95358	0.2
175.70108	0.2
185.04222	0.7
212.36885	0.2
236.94151	0.2
259.08099	0.3
311.25833	0.4
333.25058	0.3
347.09625	1.1
381.19095	0.2
421.13159	0.4
497.89359	0.2
515.31940	24.7
516.32520	0.4
677.37170	100.0
678.37347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01876	0.8
55.05508	3.0
55.09988	0.5
56.05037	0.7
57.03433	2.7
58.23309	0.6
59.04945	0.6
59.95311	0.6
60.85940	0.6
61.02923	6.0
67.05518	6.0
69.03422	1.6
69.07064	1.2
70.06593	9.7
70.07880	2.4
70.08214	0.6
71.04984	1.8
72.08131	0.7
73.02918	1.8
74.06074	0.6
79.05491	4.5
81.03422	57.8
81.07057	5.5
83.04986	2.8
83.08144	0.9
83.08622	15.9
84.04520	0.9
84.08150	0.9
85.02909	8.9
85.06522	0.7
86.09705	2.5
87.04459	0.7
91.03963	6.7
91.05486	7.5
93.07076	3.9
95.04975	17.8
95.08587	1.8
97.02883	6.1
97.06519	1.4
97.10183	1.1
98.38921	0.6
105.07040	5.8
107.04975	4.6
107.08586	2.5
109.02898	1.2
109.06496	1.9
109.10153	1.3
111.04435	1.9
111.08098	8.9
117.07009	0.6
119.04961	1.1
119.08597	6.3
121.06483	1.4
121.10182	3.7
123.04458	1.9
123.08051	0.7
127.03902	2.1
127.08678	1.2
129.07007	5.8
131.08578	4.2
133.06487	2.6
133.10086	3.6
134.87556	0.7
136.07602	1.1
137.05975	1.0
137.09633	1.2
142.07753	1.6
143.89113	0.7
145.04918	3.5
145.10078	1.0
147.04420	2.9
147.08040	2.0
147.11703	4.8
149.09616	4.4
155.08163	1.2
157.10155	7.8
163.06036	5.3
163.11221	1.3
165.12787	1.8
173.05884	0.6
175.11201	11.3
187.11087	0.8
189.05406	0.6
193.12251	54.4
207.03116	0.6
211.13289	5.8
235.13379	3.4
259.13345	1.4
267.15915	26.8
273.14813	1.3
285.16974	100.0
286.17474	1.5
299.18396	2.0
301.14410	2.3
305.10516	0.6
309.16989	13.0
310.17480	0.7
319.15631	0.7
327.18048	3.3
327.26254	0.8
333.89505	0.6
346.81384	0.6
350.31189	0.6
350.96445	0.6
351.18048	2.7
363.17969	5.5
375.17889	2.7
393.18866	3.3
411.20233	3.1
429.21127	1.5
521.46509	0.6
633.20905	0.8
676.38586	1.2
677.20447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01870	1.3
55.05509	3.5
57.03434	2.8
60.15915	0.7
61.02938	5.6
61.67200	0.8
67.05509	6.9
69.03419	2.1
69.07082	1.2
69.59219	1.0
69.89767	3.7
70.06598	21.1
71.04990	1.3
72.08147	1.3
73.02914	2.5
75.04447	0.9
79.05498	6.5
81.03425	78.2
81.07063	7.1
83.04983	2.6
83.08630	19.1
84.08145	2.2
85.02916	7.1
86.09702	2.4
91.03960	6.4
91.05493	9.0
93.07037	4.0
95.04977	22.9
95.08644	1.8
97.02908	6.2
98.06055	1.7
103.03953	1.1
105.07028	6.3
107.04967	4.6
107.08585	2.1
109.06514	2.7
109.10143	1.1
111.04441	1.8
111.08092	8.0
115.05453	1.1
117.07067	1.0
119.08573	6.8
121.06479	1.6
121.10154	3.7
123.04436	2.7
123.08081	1.5
125.09653	1.1
126.05535	1.3
126.56216	0.8
127.03917	3.1
127.08683	1.4
129.07022	6.0
131.08601	6.7
133.06488	2.8
133.10130	3.1
135.11671	0.9
137.06020	1.1
142.07771	1.5
145.04973	2.5
145.10208	1.1
147.04443	1.6
147.08022	2.6
147.11694	6.1
149.09610	4.7
155.08167	3.3
157.10135	8.8
163.06017	6.3
163.11223	1.8
165.12769	2.2
175.11183	11.4
177.05382	0.7
181.23207	0.8
183.60379	0.9
193.12259	57.6
195.11414	1.4
211.13351	5.4
235.13242	4.0
240.79631	0.8
249.14778	1.0
256.12979	1.3
259.13336	1.7
267.15942	39.0
273.14722	1.1
285.16986	100.0
286.17267	1.7
301.14386	1.9
309.13394	1.2
309.16965	20.9
317.07074	0.8
327.17853	2.0
348.05359	0.8
351.18045	2.6
363.18109	5.8
369.21536	1.7
375.18088	3.5
387.22348	2.3
393.19208	4.3
411.20142	2.7
429.21228	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	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
55.01856	7.8
55.05507	22.1
57.03444	32.6
59.24012	2.1
61.02648	2.2
61.02930	30.6
65.03942	3.7
67.05187	3.7
67.05508	55.0
69.03430	30.1
69.07076	17.1
70.14662	9.0
71.01354	4.3
71.04997	14.7
73.02922	16.9
74.86768	2.5
79.05068	3.8
79.05498	58.8
81.03426	33.0
81.07063	70.4
83.04962	10.0
83.08626	14.0
85.02910	52.1
85.06525	4.0
87.04462	3.0
91.03954	17.5
91.05484	55.8
93.07046	75.8
95.04948	9.5
95.08611	57.5
97.02306	2.8
97.02898	54.2
97.06505	9.6
97.10170	6.2
99.04435	9.1
99.08081	4.2
101.02367	6.8
103.03920	9.2
105.07040	48.1
107.04963	3.0
107.08606	44.7
109.02883	16.3
109.06516	8.3
109.10155	27.3
111.04422	4.8
111.08066	6.7
113.06020	2.8
113.09673	2.7
115.03941	4.2
117.05458	2.6
117.07020	21.7
119.08586	43.7
121.06506	3.2
121.10145	43.9
123.08055	5.1
123.11675	5.0
125.09604	4.8
127.03918	26.9
129.05429	7.5
129.06996	9.9
131.08575	31.5
133.06497	3.1
133.10129	32.6
135.08092	4.8
135.11693	33.4
137.09633	4.4
139.11136	2.7
141.07045	2.4
143.08527	10.7
145.04996	10.5
145.10121	27.9
147.11710	27.4
149.09660	4.5
149.13271	17.6
149.70659	2.2
151.11195	2.5
155.08507	2.4
155.10703	2.5
157.10103	8.8
159.06581	2.7
159.08047	3.4
159.11716	20.1
161.13274	13.5
163.11128	3.2
163.14793	6.7
165.12709	2.9
167.08423	3.9
167.14354	2.7
169.10184	2.9
171.11665	9.3
173.09634	3.0
173.13222	16.5
175.11142	3.6
175.14819	7.3
177.12782	2.9
183.06503	7.3
185.13243	10.0
187.14821	13.7
189.16272	2.5
191.14354	3.7
192.09154	2.5
199.14859	4.9
201.07555	6.2
201.16478	3.1
205.15900	3.3
221.15425	2.7
221.18903	3.5
229.14354	4.1
231.17462	3.3
241.19449	15.3
257.18738	2.7
259.20575	36.8
275.20206	5.7
277.21649	62.2
293.21066	4.7
301.21524	3.4
315.22900	2.8
319.22656	3.5
333.24399	14.4
349.23981	3.0
351.25308	100.0
355.22519	2.6
361.23819	2.4
367.22687	5.9
369.26257	3.3
375.25177	4.0
379.24878	4.1
385.23819	4.5
393.26364	3.7
403.24432	4.1
421.25983	5.1
459.26877	6.9
477.28317	10.0
495.29642	15.7
513.30566	9.8
561.05457	2.3
675.35077	3.3
681.34766	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01873	2.7
55.05514	11.6
56.96554	1.6
57.03428	4.7
57.07050	2.1
61.02927	17.8
67.05177	1.6
67.05508	22.8
69.03427	3.9
69.07066	8.2
71.04991	2.9
71.57294	1.8
71.68275	1.3
73.02903	5.6
73.18311	1.1
75.04462	1.3
75.50101	1.2
79.05498	29.9
79.70454	1.4
81.03425	6.6
81.07063	25.4
82.38440	1.3
83.04961	2.1
83.08602	5.9
85.02902	19.9
85.06536	2.4
91.03965	12.4
91.05484	32.4
93.06476	2.6
93.07050	43.9
95.04956	3.8
95.08048	1.8
95.08608	20.5
97.02906	9.5
97.06524	7.2
97.10185	2.8
98.97569	1.3
99.04435	1.7
99.08103	1.9
105.07034	27.6
107.04941	2.0
107.08595	22.2
109.02869	1.4
109.06501	2.6
109.10151	8.3
111.04398	1.4
115.03874	1.7
117.07033	10.7
119.04952	1.5
119.07813	1.8
119.08588	26.7
120.66090	1.5
121.06525	2.6
121.10134	20.7
127.03920	4.3
128.06270	1.5
129.07037	6.9
131.08571	17.0
133.10141	23.4
135.08054	1.7
135.11691	17.6
137.09613	2.7
143.08569	9.6
145.04970	6.3
145.10132	16.5
147.08018	2.1
147.11693	24.1
148.07524	1.4
149.09618	3.3
149.13243	11.4
153.01781	5.1
157.10123	6.9
159.11710	12.3
161.09608	2.5
161.13251	16.2
163.06010	4.8
163.14835	5.5
169.10191	1.8
171.11690	9.1
173.13266	6.9
175.11217	3.1
175.14832	9.1
177.12628	2.1
181.10168	1.6
183.11707	2.9
185.09686	1.6
185.13315	8.3
187.11169	1.5
187.14854	2.0
197.09636	2.2
197.13316	1.7
199.14783	3.4
203.14366	1.8
209.13321	1.5
213.16367	2.9
231.21045	3.6
241.19490	19.1
257.19293	1.4
259.20587	42.9
277.21732	7.7
283.20361	1.6
301.21561	2.2
321.21985	1.8
333.24216	10.4
343.22903	1.8
349.23758	3.0
351.25302	100.0
352.25812	2.1
363.25272	2.9
367.22672	4.5
375.25085	4.8
385.23630	3.3
399.25311	1.7
417.26089	3.4
429.26437	2.2
433.20227	1.9
441.26413	11.1
459.27423	9.4
477.28445	9.3
481.17978	2.3
495.29816	14.1
501.15402	1.9
585.26495	1.5
657.24304	2.5
675.23285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01867	1.8
55.05515	9.2
57.03439	7.2
57.07072	1.7
57.94449	1.2
61.02655	1.1
61.02932	16.5
65.03915	1.4
67.05173	1.5
67.05509	25.3
69.03426	4.2
69.07072	10.1
69.73154	1.0
71.04977	2.1
73.02920	7.3
77.03916	1.1
79.05497	32.1
81.03416	3.4
81.07065	24.4
83.04986	2.6
83.08608	5.7
85.02908	18.9
85.06539	2.2
85.10814	0.9
91.03967	13.3
91.05482	30.5
93.06474	2.0
93.07050	39.4
93.07634	2.4
95.04952	4.0
95.08070	1.2
95.08622	17.5
97.02895	10.0
97.06536	2.5
97.10150	1.8
99.04449	1.5
99.08118	1.0
103.03874	1.0
103.05428	1.4
105.04488	1.3
105.07038	30.8
107.04961	2.4
107.08601	26.6
109.02895	1.4
109.06548	2.2
109.10170	8.2
111.08086	1.9
113.19826	1.0
115.05461	1.7
117.07017	9.1
119.08588	31.0
121.06483	2.6
121.10145	21.3
123.08105	1.3
123.11717	1.5
125.09629	1.1
127.03913	4.6
129.07016	8.3
131.08583	13.9
133.10136	27.0
135.08038	2.7
135.11708	18.5
137.09566	1.6
141.06996	2.4
142.16698	1.1
143.08566	8.2
145.04955	4.1
145.06480	1.5
145.10132	13.4
145.98361	1.2
147.08157	1.2
147.11687	21.6
149.09642	3.0
149.13277	11.4
152.21375	1.1
157.10118	7.6
159.08049	1.9
159.11713	12.0
161.09637	2.6
161.13261	15.3
163.05998	4.7
163.11208	3.4
163.14856	3.2
167.08554	1.6
169.10162	2.5
171.11685	11.6
173.13257	8.8
175.11188	2.0
175.14853	11.6
177.12762	1.8
183.07945	1.2
183.11716	3.2
185.13258	8.8
187.14890	2.3
189.12764	2.6
196.79201	1.1
197.13312	1.8
199.14764	4.8
211.14815	1.3
213.16425	1.5
217.16061	1.3
217.19507	3.7
231.17421	1.2
231.21072	4.7
241.15736	1.4
241.19521	18.5
257.18835	1.3
259.20575	45.0
271.20605	2.8
277.21729	5.0
286.51340	1.0
301.21622	1.9
309.20441	1.2
313.21454	1.0
325.21744	1.5
329.21872	1.1
333.24216	9.3
337.21164	1.2
349.24078	2.2
351.25320	100.0
361.23679	1.3
363.25323	2.8
367.22705	4.1
375.25177	4.8
385.23767	1.7
387.25299	1.7
393.26309	1.3
399.25314	1.1
403.25003	2.4
417.26266	3.7
423.64935	1.2
429.26315	1.7
441.26468	8.7
459.27512	9.0
477.28400	8.5
495.29538	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	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.01872	2.5
55.05511	9.2
57.03442	5.8
57.07068	2.9
61.02927	20.2
61.84921	1.0
65.03934	1.6
67.05508	28.7
69.03432	6.3
69.07069	8.2
69.38493	5.9
69.38924	3.0
71.04997	2.1
73.02923	7.3
75.04459	1.2
77.12663	1.1
79.05496	31.7
81.03430	7.9
81.07059	28.2
83.04976	3.0
83.08604	4.7
85.02910	24.5
85.06548	3.4
91.03956	16.2
91.05483	35.1
93.07044	40.5
95.04967	4.8
95.08612	18.4
97.02912	13.5
97.06535	4.2
97.10175	2.2
99.04454	1.2
99.08102	2.8
103.03969	1.7
105.04507	1.3
105.07034	36.1
107.04964	3.1
107.08604	22.9
109.02895	2.9
109.06516	3.0
109.10149	8.7
111.04457	1.1
111.08078	2.9
114.93081	1.0
115.03909	1.4
115.05465	1.2
117.07031	9.4
119.08584	31.2
121.10141	15.9
123.08058	2.9
123.11709	2.4
125.09612	1.7
127.03935	6.1
128.06236	1.4
129.05470	1.5
129.07002	11.6
131.04941	1.4
131.08577	18.0
133.06490	1.8
133.10130	25.4
135.08101	1.4
135.11693	16.8
141.06996	2.2
143.08595	8.9
145.04958	5.5
145.10121	15.4
147.08084	2.1
147.11688	26.1
147.12801	2.0
149.09625	3.7
149.13257	9.2
151.11159	1.5
153.01807	1.8
155.08572	3.1
157.10101	11.3
159.08038	1.4
159.11697	14.0
161.09647	2.3
161.13268	16.9
163.06050	8.4
163.11235	3.0
163.14835	3.4
167.08585	2.0
169.10164	2.2
171.08115	1.1
171.11716	10.0
173.13269	10.7
175.07732	1.2
175.11171	1.3
175.14862	10.6
177.12781	1.5
177.16418	1.7
181.10083	1.2
183.11700	3.2
185.13286	8.2
187.11087	1.3
187.14815	2.1
189.12790	2.9
195.11792	1.4
197.13217	1.9
199.14828	6.4
203.14291	1.3
209.13274	2.0
213.12798	1.3
213.16399	3.0
217.15785	1.4
217.19542	2.3
226.95535	1.1
231.17569	2.4
231.20996	5.0
241.19527	19.0
255.20963	1.4
259.20593	49.1
271.20587	1.6
275.20105	4.0
276.20428	1.4
277.21542	1.9
301.21732	2.6
307.20441	1.1
313.21658	2.1
333.24258	3.7
339.23178	2.0
349.23688	3.5
350.24399	1.3
351.25293	100.0
352.25690	1.7
363.25308	4.4
367.22556	4.3
375.25177	3.7
385.23764	2.0
387.25293	2.1
393.26373	2.9
399.25266	1.4
405.26584	1.9
417.26263	3.9
421.26047	1.5
429.26123	1.9
435.27597	1.4
441.26486	8.0
459.27408	8.3
477.28714	7.0
491.01208	1.4
495.29550	10.1
675.23370	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72608	0.3
55.01843	0.5
55.05486	0.5
57.03395	0.6
59.51961	0.3
67.05506	1.6
69.03362	0.4
69.07027	0.4
69.45648	2.2
79.05463	0.9
81.03377	1.0
81.07012	1.3
83.08567	0.6
85.02888	0.7
91.05424	0.7
93.07015	0.6
95.04919	0.8
95.08588	0.4
97.02859	0.5
97.06490	0.6
105.06982	0.5
107.08574	0.4
109.06477	0.6
109.10108	0.7
117.07012	0.4
119.08610	0.4
121.10143	0.3
129.06956	0.4
135.11615	0.4
145.10043	0.3
229.14316	0.4
301.06354	0.4
311.05408	0.3
349.18781	0.7
441.15283	0.4
453.15613	0.9
454.17142	0.7
455.13586	1.2
456.13965	0.5
467.12402	0.4
467.17911	0.8
468.13690	2.1
469.14966	7.3
470.15933	1.3
471.16656	0.6
479.16910	0.5
481.14664	2.1
482.15900	10.4
483.16672	10.0
484.17554	1.8
485.18243	0.7
487.16211	0.4
495.16678	1.9
496.17532	5.9
497.18268	42.4
498.18744	3.8
499.19531	1.1
504.17282	0.4
509.14246	0.4
510.19092	1.7
511.19803	5.3
512.20447	1.7
513.18750	0.5
515.19232	1.5
523.18384	0.9
524.19934	0.4
525.20013	0.4
527.15656	0.6
528.16357	1.8
529.16876	0.4
537.19720	0.4
538.20715	1.0
539.19714	0.4
541.17206	0.9
542.18103	2.1
555.18958	2.3
556.19440	3.6
557.20331	3.9
569.20471	1.1
571.21979	1.1
611.21356	0.5
613.22443	0.5
616.21765	1.3
625.23090	0.6
629.22363	0.6
630.23102	0.9
643.24017	7.6
643.34680	0.4
644.24744	9.0
645.23700	1.1
657.25470	9.3
658.26031	0.6
660.24170	0.5
675.26630	100.0
676.26917	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42397	0.9
53.03948	1.1
67.05492	3.0
69.03432	1.0
69.07059	0.9
70.06588	1.8
70.87590	1.8
72.08119	0.9
79.05496	4.9
80.05008	1.3
81.03398	2.2
81.05801	0.9
81.07054	2.4
82.06573	2.6
83.05000	1.0
85.02917	1.9
86.09728	1.0
91.05476	3.5
93.05750	1.4
93.07042	7.7
94.06578	11.7
95.04948	2.9
95.07349	8.9
95.08611	1.8
96.08132	15.3
97.06552	4.2
103.05508	1.4
105.07033	2.1
107.08527	1.1
108.04516	1.8
108.08121	14.6
109.02879	0.9
110.09686	26.0
119.08581	1.0
120.04473	0.9
120.08104	18.5
121.10023	0.9
122.06034	10.6
124.07578	2.3
133.10120	1.3
136.07590	11.5
138.09142	28.0
146.05917	1.0
147.04398	2.6
148.07565	4.8
152.07037	1.1
153.01927	0.8
160.07559	1.6
163.03873	1.9
164.07101	1.0
165.09116	1.0
166.08640	32.9
170.38983	0.9
188.75562	0.8
206.08299	1.1
207.09300	1.0
211.08661	2.5
212.09679	0.8
219.09001	0.9
220.09860	1.1
221.10699	2.7
223.08496	1.0
225.10216	1.6
232.09770	1.1
235.08685	3.0
236.09430	1.5
237.02666	1.0
237.10216	2.8
238.73907	0.7
239.11670	0.9
247.08701	3.9
248.09442	2.7
249.10255	25.9
250.11118	4.4
251.08089	1.1
251.11749	5.1
253.09735	1.1
261.10361	4.2
262.10968	1.9
263.08228	1.6
263.11761	3.4
264.12643	1.5
265.09674	2.5
271.11124	1.3
275.08136	2.6
277.09720	16.6
278.10599	5.9
279.08157	1.4
279.11279	5.3
281.09360	0.8
287.05560	3.1
289.09656	2.2
291.11249	6.5
292.11868	1.4
293.09235	1.9
297.12476	1.6
298.13596	1.2
302.13055	1.5
303.07581	1.5
307.10809	1.0
309.12408	9.5
310.13205	3.7
311.10504	1.3
311.14090	1.3
313.12469	1.8
314.12881	3.4
315.10156	1.3
315.14133	1.0
316.11142	1.2
321.08823	1.9
323.10342	1.7
323.13943	1.2
324.05627	1.0
324.11514	1.4
324.15079	2.1
325.12234	1.0
325.15875	1.3
326.12817	3.4
326.16376	2.0
327.13916	3.2
328.10800	3.1
328.14462	5.2
329.11826	2.0
330.12320	1.5
330.15875	1.5
335.10196	2.6
337.12216	1.3
338.12973	3.9
339.13748	2.8
340.11005	2.8
340.14554	2.1
341.11624	3.2
342.12320	7.4
342.16040	3.0
343.13037	4.1
344.13907	2.3
351.13705	1.6
352.10724	1.3
352.14539	6.8
353.11618	1.9
353.15540	2.0
354.12433	3.6
354.16074	2.6
355.13129	6.1
356.10208	2.4
356.13971	12.7
357.14548	5.0
358.11813	2.2
358.15466	3.3
366.12531	1.5
367.13379	1.8
368.10281	2.9
368.14197	1.8
369.11014	2.1
369.15015	1.6
370.11691	3.1
370.15833	6.6
371.12335	2.1
371.16302	2.9
372.13297	2.3
372.17349	4.5
374.11078	0.9
374.15118	1.1
379.13181	1.3
380.14130	4.2
381.14954	1.3
382.11676	2.6
382.15924	6.3
383.12830	3.5
384.13351	9.7
385.13901	6.0
385.17334	1.3
385.18399	2.1
386.10992	1.9
386.15076	1.7
387.15659	1.1
388.16791	1.4
389.17554	1.1
396.13327	2.5
397.14166	2.9
398.15134	11.9
399.15845	6.1
400.16821	12.9
401.13751	1.7
402.14413	1.9
404.15900	1.4
408.13327	1.6
410.15012	3.0
411.12668	1.6
412.12799	4.2
413.13641	2.0
414.13852	1.6
414.18311	2.9
416.16037	5.2
417.16656	2.4
418.13623	1.1
425.13403	1.5
426.14569	12.7
428.11362	1.0
428.16199	10.4
429.17337	0.9
431.14331	1.0
436.12961	1.5
442.13031	3.0
442.17642	5.5
443.14740	2.1
444.15488	7.4
446.16992	1.2
454.07645	1.8
454.14029	35.4
458.17142	2.3
460.19376	10.9
472.15073	81.2
473.15253	3.4
474.16653	9.9
476.18402	1.2
486.16693	3.9
492.17676	47.6
504.17682	28.3
506.19211	3.0
520.20648	1.3
522.18744	4.5
579.22241	2.9
597.23572	1.1
607.21973	11.8
611.24731	6.3
625.22961	32.8
626.23511	1.3
629.25555	2.6
639.24506	27.9
643.23578	2.3
657.25555	100.0
658.25616	3.3
675.24847	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	673.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.3
55.01871	12.6
55.05266	2.4
55.05514	26.5
57.03440	33.3
57.07063	2.3
61.02641	2.5
61.02933	31.9
65.03953	3.4
67.05508	68.4
69.03435	71.1
69.03809	3.5
69.07073	29.2
71.01367	5.7
71.04996	15.7
71.57208	3.3
73.02919	15.7
79.05497	62.6
81.03421	91.5
81.07059	100.0
83.04992	31.2
83.08617	16.0
85.02912	62.3
85.06538	5.9
86.09705	2.1
87.04460	3.7
91.03970	17.8
91.04897	2.7
91.05481	64.1
93.07047	64.2
95.04942	19.0
95.08051	3.3
95.08615	41.4
97.02892	72.4
97.06528	14.9
97.10172	6.7
99.04456	23.0
99.08077	5.2
100.01829	1.9
101.02395	9.6
103.03971	12.0
103.05489	2.6
105.07034	58.1
107.04963	16.5
107.08603	43.4
109.02894	29.3
109.06518	15.8
109.10156	20.9
111.04452	14.9
111.08051	4.7
113.02391	2.7
115.03915	3.2
115.05524	3.5
117.07020	25.7
119.04961	3.6
119.08582	41.8
119.09368	3.9
121.06537	10.6
121.10140	22.9
123.04432	4.9
123.08096	10.8
123.11713	6.5
125.02393	2.6
125.09643	6.3
127.03920	45.6
128.06189	3.9
129.05521	15.5
129.06978	11.2
130.07808	2.8
131.03432	2.5
131.04921	6.4
131.08563	37.4
133.06491	7.0
133.10133	40.8
135.04399	5.1
135.08044	10.1
135.11690	17.3
137.05975	3.7
137.09641	6.4
139.07530	2.4
139.11211	3.1
141.07014	5.6
142.07814	2.8
143.08597	12.3
145.04999	10.0
145.06496	7.2
145.10123	30.3
147.04410	4.0
147.06474	2.0
147.08075	5.8
147.11696	28.2
149.05995	2.5
149.08543	2.4
149.09593	10.3
149.13277	25.5
151.07553	2.6
151.11157	4.9
153.01843	9.6
153.05496	2.7
155.08568	7.9
157.06488	4.5
157.10109	12.5
159.08104	3.0
159.11716	28.5
161.06099	2.4
161.09602	4.2
161.13263	8.1
163.11142	5.8
165.05455	2.0
165.09105	2.8
165.12759	7.2
169.10118	4.9
171.10307	2.9
171.11609	10.3
173.04478	35.0
173.05887	3.2
173.09554	2.8
173.13242	11.6
175.07500	2.1
175.11186	6.4
177.12708	17.6
181.10194	3.3
183.06532	20.3
183.11737	5.8
185.09590	2.5
187.07492	3.6
187.11226	4.2
187.14832	4.0
189.09064	1.9
193.12294	2.6
195.13808	23.7
197.13353	3.6
201.07617	7.5
201.12807	4.8
213.05534	2.7
213.13066	2.2
213.14856	9.4
219.13789	5.3
229.19621	6.7
231.13783	4.7
235.13229	2.3
239.17963	8.1
247.20654	5.5
257.04535	10.7
257.15341	4.3
257.19003	15.9
258.05136	3.1
261.14853	6.1
267.16000	4.3
269.15387	1.5
269.17484	53.2
275.16565	7.6
275.20050	55.0
286.04749	6.6
287.05490	16.5
293.17816	2.5
293.21091	5.0
297.04034	3.7
297.16922	3.3
303.15833	6.3
311.05551	6.8
311.18527	2.8
321.17093	4.6
323.05527	3.3
331.22684	6.1
335.18539	4.1
339.18146	13.5
343.15491	8.1
349.20505	3.2
349.23761	73.3
355.22537	3.5
359.18384	3.4
367.24872	14.7
371.14749	4.5
373.23730	4.4
377.19440	13.0
383.21899	3.0
391.24844	5.2
395.20578	25.3
401.23386	2.4
413.21765	50.1
415.24640	3.7
419.24344	5.2
439.24734	3.3
451.17511	3.7
457.25955	5.3
461.16040	3.4
475.26804	7.1
479.17072	59.0
480.16800	2.9
493.27881	15.4
497.18103	65.5
498.17999	3.9
503.16724	2.7
511.29257	22.0
553.20746	4.2
575.27167	4.4
673.21204	11.5
673.33038	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	673.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.7
53.28655	1.7
55.01869	12.8
55.05265	2.4
55.05510	34.3
57.03438	27.3
57.07075	2.7
59.05017	2.2
61.02644	2.4
61.02930	31.0
65.03925	3.8
67.05505	68.7
69.03080	2.7
69.03435	54.0
69.07077	33.7
70.51921	6.1
71.01351	3.2
71.05012	12.1
73.02912	18.5
75.14717	1.7
77.37230	2.0
79.05063	3.3
79.05493	55.6
81.03421	63.5
81.06580	3.9
81.07060	72.4
83.01362	1.9
83.04982	19.0
83.08617	16.0
85.02908	58.0
85.06536	4.8
87.04470	3.1
91.03958	21.1
91.05486	51.8
93.06477	2.8
93.07051	49.4
95.04972	13.4
95.08608	33.0
97.02286	3.8
97.02896	67.1
97.06529	14.5
97.10182	15.3
99.04463	16.3
99.08070	3.1
101.02399	9.2
103.03955	8.4
103.05499	2.9
105.07036	43.6
107.04952	9.4
107.08602	44.0
109.02882	23.1
109.06554	11.9
109.10162	29.4
111.04448	6.2
111.08092	6.0
114.35143	1.8
115.03957	5.2
115.05428	3.2
117.07021	22.7
119.04923	4.2
119.08586	33.0
121.06513	8.0
121.10147	20.4
123.04454	2.6
123.08063	3.8
123.11686	4.8
125.09634	14.4
127.03921	36.2
128.06221	2.9
129.05484	7.9
129.07002	9.7
131.08572	28.3
133.06497	5.1
133.10115	28.3
135.08057	5.7
135.11708	13.4
137.06026	2.0
137.09615	7.2
141.06953	4.3
142.07809	2.1
143.08542	10.7
145.04971	8.5
145.06503	3.1
145.10120	24.3
147.04443	3.5
147.08089	3.1
147.11693	18.1
149.09624	16.6
149.13226	9.2
151.11186	4.9
153.01822	4.2
153.09137	2.4
155.07127	1.8
155.08566	5.1
155.10719	3.3
157.10139	9.8
159.08090	3.1
159.11678	22.5
161.09537	2.3
161.13286	6.4
163.06035	3.2
163.11212	10.0
165.12762	2.5
167.08554	2.4
169.10126	7.8
171.10268	3.7
171.11708	9.7
173.04504	14.9
173.09590	2.5
173.11717	7.0
173.13258	10.3
175.11208	4.5
177.12752	10.3
179.14302	5.5
181.10139	2.2
183.06639	8.8
183.11656	6.4
185.13268	3.8
186.73332	1.8
187.11198	5.1
187.14822	4.0
189.11227	16.7
189.12781	3.7
195.13763	6.7
197.13303	4.8
199.11317	1.8
201.07573	5.9
201.12662	2.4
207.13774	2.6
213.14760	3.9
215.17918	2.5
219.13780	3.8
227.12753	9.4
229.14359	22.2
229.19513	6.7
239.17979	7.9
245.13844	2.9
247.20543	5.1
257.04535	5.2
257.18970	18.5
269.17447	14.2
273.18488	3.7
275.20065	81.2
283.15280	2.7
286.04834	4.2
287.05463	9.1
293.21060	10.3
299.20078	2.8
311.05692	3.2
321.24136	3.2
323.05414	3.0
331.22690	6.0
337.21606	2.7
339.17944	5.2
349.23758	100.0
355.17407	3.1
355.22324	2.2
367.24823	8.2
373.18610	3.5
373.23694	4.1
383.22339	2.8
391.24759	4.0
395.20547	10.5
413.21689	17.6
419.24454	3.3
433.25644	2.3
457.25809	7.9
475.26849	9.7
479.17056	33.1
480.17331	3.3
493.27924	18.0
497.18091	33.9
511.29160	20.7
673.20923	5.5
673.33624	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	673.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01858	2.7
55.05504	7.4
57.03423	2.6
67.05507	15.2
69.03416	2.0
69.07060	3.0
71.04980	1.4
71.20567	1.3
71.57143	1.8
71.57506	1.7
75.30560	1.4
79.05497	13.2
81.03418	10.0
81.07057	13.3
83.08624	1.9
85.02912	4.2
91.03970	2.1
91.05486	13.8
93.07025	10.3
95.04969	5.1
95.08624	4.7
97.79221	1.3
100.56510	1.3
105.07025	9.7
107.04959	3.0
107.08603	4.8
109.02879	3.2
109.10167	3.6
115.05408	1.6
117.07004	3.4
119.08595	6.3
121.10162	1.9
123.04469	2.1
123.08088	1.9
123.11738	1.8
127.03976	2.4
129.07027	3.5
131.08586	4.9
133.10141	4.8
135.04530	1.4
135.11819	1.8
137.02353	14.8
146.38972	1.5
147.08141	1.8
147.11734	2.7
151.03926	2.1
153.01839	3.7
157.10162	2.5
159.04478	2.1
163.03935	2.1
163.11186	1.6
165.01859	11.5
167.03421	2.2
171.04477	1.7
175.11266	2.4
177.01831	5.6
179.03397	1.8
183.02919	4.3
187.03886	2.7
189.01930	1.6
191.03540	3.0
192.04189	2.0
193.12231	2.1
195.02946	12.5
203.03439	2.7
205.05055	1.7
217.05023	3.6
229.05135	1.6
241.05144	1.8
243.02840	2.5
243.06622	6.1
253.05025	2.1
257.04382	3.3
258.05228	3.6
261.04010	2.0
267.06528	2.0
269.04422	15.6
270.05301	8.9
271.05881	8.2
272.06787	8.4
275.20129	5.6
281.04465	4.4
282.05222	4.0
283.03250	1.9
283.05823	6.8
286.04807	7.4
287.05536	5.0
295.05960	7.0
296.06793	3.8
297.04050	1.9
297.07700	3.1
298.04727	29.0
299.05521	49.2
300.06290	29.0
301.06784	2.0
307.06207	2.4
309.04333	2.6
309.07486	8.3
310.04794	16.1
310.08273	3.0
311.05493	25.1
311.08847	1.7
311.12491	1.6
312.06046	3.3
313.07016	5.6
318.30109	4.5
319.30444	2.7
321.03958	2.5
321.07635	2.7
322.04645	2.9
323.05338	8.0
324.06339	10.1
325.07153	7.4
327.04959	4.1
328.05795	31.6
329.06564	21.6
335.05429	4.5
336.06387	2.2
337.07162	5.4
338.04254	2.1
338.07913	6.3
339.05090	4.5
339.08688	4.2
341.06821	2.9
349.07147	6.4
349.23862	4.2
351.05026	2.5
351.08835	2.6
352.05814	9.4
353.06540	6.1
361.07138	4.3
363.08630	2.8
364.05719	3.2
365.06616	6.0
367.08133	3.0
376.05853	1.8
377.06430	2.9
379.08203	5.7
383.07700	2.4
394.06870	4.1
395.07748	2.2
412.08035	1.9
445.16788	2.3
449.16208	1.9
461.16113	2.1
463.17636	13.0
473.16006	3.1
475.17657	4.8
477.16125	2.1
479.16882	10.8
485.16226	7.9
491.16800	15.4
493.18594	8.1
497.17896	5.7
503.16980	25.8
505.18518	4.9
511.19751	15.5
517.18512	8.2
521.18073	34.2
523.19666	47.1
531.20190	4.5
533.18475	2.7
535.19586	29.9
545.18127	11.1
553.20691	100.0
554.20471	2.7
557.17896	4.6
559.19659	2.8
569.18079	4.5
577.20764	32.8
583.22205	2.8
587.19312	8.3
589.20911	4.0
601.20862	4.5
605.20331	6.5
607.21545	19.4
619.21686	14.4
623.21625	3.4
637.22797	33.1
655.23871	74.0
656.24060	2.9
673.24872	75.0
674.25421	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
53.65956	0.4
55.01857	0.4
55.05516	3.5
56.96560	0.4
57.03434	0.5
57.07059	0.5
61.02928	0.5
67.01862	0.6
67.05500	1.2
68.99787	0.7
69.03413	0.9
69.07058	1.2
69.20085	3.3
70.06602	0.7
71.04994	0.5
79.05488	1.0
81.03408	1.0
81.07035	1.8
83.04981	0.6
83.08613	0.6
84.08176	0.6
84.96100	0.4
85.02908	2.5
86.09697	0.6
91.03944	0.4
91.05481	1.5
93.07035	1.1
95.04965	0.6
95.08578	1.0
97.02906	1.9
97.06531	1.4
97.10171	0.5
98.20702	0.8
99.08097	0.4
105.07037	1.2
107.04955	0.4
107.08601	0.6
109.02837	0.5
109.10175	0.4
109.14425	0.4
109.52139	0.3
111.00807	0.7
117.07040	0.3
119.08555	1.0
121.06534	0.6
127.03912	0.7
129.07037	0.5
131.00174	0.5
133.06474	0.4
133.10101	0.5
139.03920	1.0
141.01019	0.4
145.06540	0.8
145.10120	0.5
147.04414	1.7
153.01834	45.4
157.06482	0.4
159.02972	0.5
159.04411	1.0
161.02364	1.6
161.05965	0.6
163.03891	0.8
171.02954	1.0
171.04431	1.5
173.05959	1.9
179.03511	0.6
181.81160	0.4
185.06021	1.5
187.03946	0.6
187.07529	0.8
197.05960	0.4
199.07545	0.5
201.05531	2.2
203.03395	0.8
211.07657	0.4
211.86455	0.4
223.07582	0.4
226.06067	0.4
229.04909	0.6
237.02982	0.5
237.05321	0.6
239.07108	0.8
239.10716	0.4
241.04997	0.5
253.04977	1.0
255.06421	0.5
255.13875	0.9
259.09665	0.6
265.05179	0.6
267.06601	1.5
271.06119	0.6
272.60556	0.4
279.06564	1.7
281.04468	1.6
282.05228	2.6
283.05902	1.8
286.04999	0.4
287.05420	0.9
294.05289	0.7
295.06021	6.0
297.03946	3.2
298.04736	1.9
299.05481	1.6
306.05438	0.8
307.05997	2.3
309.07623	0.5
310.04718	0.7
311.05505	39.0
312.05981	0.7
322.05017	0.5
323.05533	18.6
324.06317	10.1
324.10110	0.5
325.07092	12.7
335.05603	1.3
337.07126	2.9
349.23767	1.2
351.08731	0.6
353.06592	21.7
371.14523	0.4
407.14871	13.5
417.13495	0.6
433.16537	0.7
435.14432	23.0
437.15915	0.7
451.17554	41.3
452.17664	1.2
453.15036	0.7
461.16144	0.9
475.26569	0.5
479.17035	100.0
480.17444	2.1
496.13309	0.7
497.18112	85.9
498.18256	1.8
521.18506	0.5
539.19360	0.5
607.99261	0.4
655.20276	2.1
673.21075	6.2
673.30701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46740	0.2
53.03960	0.4
55.01878	0.6
55.05515	2.2
56.96572	0.3
57.03439	0.6
60.93954	0.2
61.02946	0.4
62.10547	0.2
65.03952	0.3
67.01877	0.3
67.05502	5.0
68.99799	0.6
69.03436	0.5
69.07076	1.4
70.06603	0.5
71.05006	0.5
71.56891	0.4
73.02912	0.4
77.13334	0.2
79.05490	1.7
80.30609	0.2
81.03440	1.0
81.07057	4.3
81.07505	0.3
83.04990	0.4
83.08621	0.5
84.04520	0.3
85.02896	1.6
86.09753	0.5
89.31967	0.2
91.03996	0.4
91.05482	1.8
93.07063	0.9
95.04955	0.3
95.08611	0.9
97.02921	0.7
97.06557	0.5
103.05491	0.3
105.07022	1.3
107.04898	0.3
107.08618	1.0
109.02914	0.3
109.10171	1.9
111.00824	0.5
115.05552	0.4
119.08591	0.7
121.10141	0.4
123.04455	0.3
123.11713	0.2
125.09679	0.3
127.03947	0.5
129.07045	0.7
133.10124	0.5
137.06024	0.3
139.03947	1.5
141.07053	0.3
142.67281	0.2
143.05006	0.3
145.06516	0.3
147.04443	1.0
153.01830	27.5
157.06551	0.7
159.04446	0.4
161.05952	0.6
163.03896	0.3
163.11246	0.3
165.01855	0.3
165.05595	0.3
165.07016	0.5
167.08560	0.3
169.06471	0.6
171.03044	0.5
171.04465	1.1
171.08122	0.3
172.05199	0.5
173.06032	0.7
175.03996	0.4
179.03426	0.3
181.06465	0.4
183.04416	0.3
184.05241	0.5
185.05975	2.2
187.03986	0.7
187.07645	0.4
195.08134	0.4
197.05981	2.9
198.06796	0.9
199.03946	0.6
199.07617	0.7
201.05493	0.4
201.09055	0.3
205.06534	0.4
209.06049	0.5
211.04005	0.4
211.07503	1.5
213.05486	0.5
219.08183	0.3
221.05957	0.5
223.07562	0.4
225.05453	0.4
237.05516	1.1
239.03477	0.4
239.07050	0.7
241.05005	0.5
247.07506	0.3
249.05482	0.4
250.06233	0.3
251.07147	0.5
253.05049	0.9
257.04504	0.8
258.05215	1.4
263.06796	0.3
265.04971	2.7
265.12112	0.3
266.05801	0.7
267.06528	2.0
269.04556	0.9
271.06146	0.5
275.07117	1.6
279.06506	1.3
281.04474	2.8
281.15204	0.4
282.05249	1.9
283.06036	0.5
286.04733	3.4
287.05704	0.8
291.06686	0.4
293.04526	0.9
293.07999	0.5
294.05167	1.5
295.06009	7.3
297.04022	3.6
298.04745	1.4
299.05591	1.5
303.06516	9.5
305.04980	0.3
305.08209	0.4
306.05389	0.4
307.06067	1.7
309.03946	0.8
309.07571	0.7
310.04700	0.6
311.05499	7.8
313.03510	0.5
317.07974	0.3
319.06033	0.6
321.03934	2.3
321.07645	3.2
322.04718	1.0
323.05505	26.0
324.06241	3.6
325.06982	1.4
326.04425	0.4
327.05023	1.0
331.06012	10.7
332.06787	1.5
333.07651	0.3
334.04718	2.0
335.05472	2.4
335.09140	0.5
337.07086	4.3
338.07312	0.3
339.08768	0.4
345.07837	0.4
348.06320	0.7
349.07071	9.8
350.07834	14.3
351.08734	1.9
363.08572	2.5
375.08743	0.4
377.09906	0.4
379.11234	0.3
433.16473	30.1
434.17017	0.4
435.14450	0.3
443.14908	0.6
451.17529	2.2
461.15964	100.0
462.16357	2.5
479.17020	77.2
480.17422	1.6
497.18079	41.5
498.18399	0.8
629.28308	0.4
637.19299	1.4
655.20221	9.8
656.20959	0.3
673.21063	8.9
673.31537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75027	0.4
51.76013	0.4
55.05505	3.5
57.03441	3.6
57.07077	36.8
61.02927	14.5
67.05505	9.7
69.03422	1.4
69.06725	0.5
69.07069	7.8
71.05002	0.4
71.08631	33.1
71.57314	0.8
71.57697	0.4
73.02543	0.5
73.02919	4.2
75.04478	1.8
79.05484	0.6
81.03413	0.8
81.07055	15.1
83.08145	0.7
83.08620	12.4
85.02904	17.8
85.06558	0.8
85.10185	18.5
89.06008	0.9
89.72146	0.3
91.03956	15.2
93.07055	0.7
95.08608	23.7
97.02901	8.3
97.10168	6.2
99.04458	1.0
99.08094	0.4
99.11715	1.0
103.03958	0.4
104.77010	0.4
105.07042	0.5
109.02885	0.6
109.10163	12.8
111.11700	1.0
113.13216	0.4
115.03908	0.6
117.05498	0.4
117.09176	0.5
121.10149	0.5
123.11708	5.6
125.13241	1.1
127.03906	5.8
135.11725	0.4
137.13248	2.5
144.68961	0.4
145.04971	8.6
145.06126	0.5
146.28181	0.4
151.14825	0.9
163.04700	0.8
163.06021	11.5
165.16359	0.5
221.22607	1.1
239.23691	20.8
242.11926	0.4
257.24731	4.2
297.71274	0.4
298.27319	0.6
313.27359	100.0
314.27567	1.5
331.28421	47.1
332.28931	0.8
347.17331	0.5
475.32581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46737	0.2
55.01854	0.2
55.05289	0.1
55.05510	4.5
57.03439	3.8
57.07076	35.2
58.07419	0.2
61.02927	12.5
63.99830	0.2
64.92867	0.2
65.03931	0.2
67.05505	9.5
69.03428	1.5
69.07069	7.6
71.05021	0.4
71.08632	30.2
71.30409	0.3
71.62353	0.2
73.02920	4.6
75.04485	1.8
79.05502	0.8
81.03410	0.6
81.07057	13.7
83.05003	0.3
83.08231	0.2
83.08620	10.7
85.02906	15.1
85.06550	0.4
85.10184	17.2
87.04465	0.3
89.06039	1.0
91.03956	12.4
93.07047	0.5
95.08608	22.4
96.08967	0.2
97.02282	0.4
97.02899	6.8
97.06547	0.2
97.10168	5.7
99.04447	1.0
99.08096	0.2
99.11716	1.4
101.02361	0.3
101.06047	0.2
103.03939	0.3
103.07596	0.7
107.08599	0.3
109.02868	0.5
109.10158	11.2
111.11734	1.6
113.13276	0.7
115.03934	0.7
117.05499	0.2
117.09147	0.4
119.08604	0.2
121.10139	0.4
123.11708	4.7
125.09657	0.2
125.13281	1.0
127.03925	4.8
127.04803	0.4
131.00191	0.3
135.11676	0.3
137.13246	2.3
139.14833	0.4
145.04967	6.5
145.06136	0.3
145.12239	0.2
149.13312	0.2
151.14845	1.0
163.06013	9.3
165.16423	0.7
202.53629	0.2
221.22656	1.2
238.22627	0.2
239.23694	20.2
240.23981	0.2
257.24777	4.2
298.27359	0.4
301.20056	0.3
311.25766	0.5
313.27356	100.0
314.27731	1.5
331.28421	36.8
332.28711	0.6
347.17068	0.5
347.67523	0.9
401.29086	0.4
457.31387	0.3
470.94040	0.2
475.32724	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	671.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
53.95212	1.5
55.05508	15.0
55.55613	1.4
57.03432	3.4
57.07079	12.6
61.02917	3.8
65.03932	2.0
67.05509	27.4
69.03423	9.9
69.07071	57.9
69.49134	6.5
69.49561	4.8
70.06582	6.0
71.04993	3.2
71.08638	8.3
72.08160	2.1
73.02916	2.0
79.05494	14.7
81.03407	7.1
81.07057	100.0
82.07389	2.0
83.04993	1.8
83.08144	2.8
83.08618	40.3
84.08130	5.1
85.02423	2.7
85.02910	37.7
85.06524	8.1
85.10188	2.1
85.21999	1.3
86.09690	3.8
91.03922	2.2
91.05488	8.0
93.07042	21.2
95.04979	3.7
95.08611	97.5
97.02911	11.9
97.06557	8.4
97.10180	24.1
99.04482	1.6
99.08097	10.1
105.07040	5.5
107.04948	1.8
107.08605	23.9
109.02896	4.7
109.10157	65.3
111.08078	7.2
111.11718	24.7
113.09628	3.9
117.07021	3.3
119.04954	1.9
119.08569	4.0
121.10149	17.5
123.08125	2.0
123.11706	43.4
125.09653	2.6
125.13284	16.0
127.03905	11.0
129.10246	1.6
131.04887	2.1
131.08609	2.5
133.10135	2.6
135.11682	10.9
137.13254	31.8
139.14803	4.5
143.08577	2.4
145.04967	14.0
147.04420	3.9
147.11691	2.7
148.06013	2.0
149.13254	38.1
149.14374	2.6
151.14828	12.4
153.12711	1.7
153.16319	1.6
155.14330	11.7
159.08121	2.0
159.11755	1.7
163.03914	2.0
163.06004	6.3
163.14842	9.5
165.09090	5.4
165.16377	10.8
167.14293	17.6
169.15868	5.7
177.16396	3.7
179.17926	8.2
183.17447	2.3
191.17952	1.7
193.19536	6.4
205.19560	2.1
211.20583	2.2
215.07159	1.9
219.21037	7.4
223.20518	1.6
237.22060	2.6
249.25804	5.8
259.09732	3.7
267.08841	1.6
275.27350	25.7
281.28302	1.8
283.15305	2.2
289.05350	4.6
293.28387	75.6
311.29446	22.2
325.11319	4.0
370.26617	1.8
387.27756	1.7
388.27716	2.1
405.22717	2.4
419.31439	2.9
437.32715	2.2
459.27933	1.9
495.16449	1.9
655.26202	1.7
671.27753	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	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05510	22.5
56.62630	0.6
57.03442	5.3
57.07078	19.8
58.24034	0.6
61.02930	19.3
63.72512	0.7
67.05506	10.7
69.03422	1.8
69.07069	40.3
71.04998	0.9
71.08282	1.2
71.08638	12.6
71.57656	1.0
73.02912	7.7
73.06544	0.8
75.04480	3.1
79.05489	7.4
81.03449	1.8
81.07059	19.1
83.08620	36.6
85.02905	23.0
85.06548	1.3
85.10189	6.0
91.03408	1.1
91.03959	20.0
91.05489	1.2
93.07046	9.9
95.08604	12.7
97.02898	10.6
97.06523	7.0
97.10173	33.3
99.04448	1.4
99.08112	0.7
107.08601	8.9
109.10186	6.5
111.08103	4.0
111.11716	10.7
115.03946	1.5
115.07594	1.6
121.10149	19.5
123.11719	5.7
125.09617	3.4
125.13266	2.9
127.03920	8.5
129.09160	1.4
135.11702	16.3
135.22865	0.7
137.13226	4.0
139.11171	3.1
139.14822	0.8
143.10634	1.1
145.04974	10.4
149.13264	8.1
151.14822	1.3
153.12727	2.6
153.16356	0.8
157.12250	1.3
163.06024	17.4
163.14793	4.4
167.14323	1.6
171.13782	1.6
177.16385	1.9
181.15877	0.9
185.15430	1.2
191.66588	0.7
195.17406	1.0
195.49716	0.6
199.16966	1.2
201.07460	0.6
214.09746	0.8
219.21083	24.2
220.21370	0.7
220.46043	0.7
227.01968	0.7
237.22130	36.2
241.78214	0.8
255.23196	39.3
311.25809	100.0
312.26166	1.2
329.26874	47.9
331.60553	0.7
455.30075	1.2
473.30981	11.3
635.36603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05515	26.4
57.03444	8.4
57.07086	11.8
58.83429	1.1
61.02639	1.7
61.02931	24.7
62.74207	0.9
63.16471	1.0
67.05510	34.1
67.05868	1.7
69.03425	3.0
69.07075	42.1
71.05005	2.3
71.08648	8.4
72.94214	0.9
73.02927	10.3
75.04485	3.7
76.76257	0.9
76.83392	1.1
79.05133	1.2
79.05506	16.0
81.03426	1.6
81.07063	49.9
83.04990	1.1
83.08144	2.1
83.08626	35.1
85.02912	31.2
85.06538	2.3
85.10192	3.3
91.03406	1.5
91.03963	24.6
91.05457	2.4
93.07056	25.6
95.08616	37.9
97.02906	13.7
97.06544	9.9
97.10181	24.8
99.04482	1.5
99.08102	2.0
105.07003	1.0
107.08592	17.3
109.02882	1.8
109.10165	15.9
111.08096	6.2
111.11727	5.6
113.09683	1.9
115.03921	2.3
115.67068	1.1
121.10151	43.6
123.11723	11.9
125.09641	3.1
125.13256	1.2
127.03927	9.6
127.11217	1.0
129.09056	0.9
135.11705	32.5
137.13261	11.0
139.11189	4.4
141.12822	1.7
145.04945	11.3
148.16185	1.0
149.13254	14.1
151.14822	2.1
153.12738	2.3
163.06033	20.4
163.14836	6.1
167.14331	1.7
177.16338	2.0
180.33334	1.0
185.15269	1.2
219.21103	43.1
229.02577	1.1
237.22145	95.9
255.20633	2.2
255.23189	27.0
277.13922	0.9
311.25821	100.0
329.26880	83.1
358.16434	1.6
382.59045	1.0
473.30981	4.3
546.65234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66793	0.6
53.03938	1.1
55.01855	1.0
55.05501	0.7
56.96557	0.7
57.03441	6.4
59.04995	1.7
60.04510	2.4
61.02908	1.4
67.05495	0.9
69.03434	27.2
70.06593	4.8
71.04982	1.0
71.46188	1.5
72.08134	1.2
73.02915	1.1
75.04488	0.9
79.05483	1.7
81.03426	3.7
81.07077	1.3
83.04977	1.6
84.08135	2.3
85.02908	22.4
86.09702	1.5
87.04472	19.4
91.03925	0.9
91.05453	3.0
93.03432	0.8
93.07082	0.9
95.04923	1.0
95.08637	0.6
97.02896	25.6
97.06528	1.3
98.97575	1.5
99.04432	1.4
103.05435	1.0
105.07008	1.3
107.08583	1.3
109.06445	0.7
111.04449	0.7
111.23237	0.6
115.03938	24.5
115.05428	4.9
117.07004	2.3
119.04922	1.4
120.08092	0.8
121.10165	0.7
122.03642	2.7
125.05994	1.6
127.03913	2.2
128.06245	0.8
129.07008	3.8
129.10216	0.9
131.04897	3.8
133.04967	27.4
137.05980	68.7
143.04921	9.4
144.05643	1.0
145.04919	2.4
145.06494	0.8
147.04437	4.6
149.05981	0.9
150.07640	5.8
151.02066	0.7
151.03882	1.0
153.05479	2.0
157.06516	4.3
158.09633	1.4
159.09966	0.9
160.05196	12.7
161.05981	2.8
162.07669	1.4
163.03902	1.3
163.07536	1.9
168.08006	0.7
172.05182	1.9
173.05984	1.1
174.06773	1.9
175.07552	100.0
177.05594	1.0
180.08716	2.1
181.08710	0.6
187.05865	1.5
187.07556	31.1
189.09131	6.1
193.08525	0.6
196.07552	0.7
199.07637	0.7
203.08533	1.1
205.08586	22.8
211.07564	1.5
217.08623	3.3
219.01738	0.8
219.08110	1.3
227.06972	0.9
231.08075	0.8
235.09666	31.4
237.02740	0.7
239.07079	1.6
241.07077	0.9
247.07643	1.0
251.10637	1.1
259.07907	1.9
261.09277	0.7
263.10626	2.2
267.94247	0.7
270.08862	1.6
271.09766	2.5
271.66983	0.7
276.07800	1.3
277.09009	1.4
279.10220	1.4
291.10123	5.1
293.07977	0.8
311.12781	1.8
312.12946	1.8
323.12924	6.3
341.13889	10.7
344.24469	1.1
475.59824	0.8
490.26447	2.3
615.79919	0.7
670.34717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2921
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05507	1.8
55.73000	1.2
57.07079	1.4
59.15655	1.3
67.05500	4.0
69.07075	2.6
70.63953	1.4
71.08646	1.4
71.57955	1.5
79.05494	1.9
81.07058	3.2
81.25160	1.2
91.05470	1.8
93.07043	2.9
95.08616	3.9
95.12083	1.1
105.07040	2.4
107.08610	2.0
109.10147	3.1
121.10117	2.2
123.83678	1.3
131.08524	1.4
155.54167	1.2
225.14075	1.3
261.14047	1.5
275.19867	1.8
366.18906	1.4
393.20782	1.7
407.22595	2.1
420.19516	2.0
421.19952	7.6
435.21646	6.8
436.22635	3.7
448.18710	1.8
449.23898	6.1
450.24249	1.9
461.19843	3.3
463.20514	12.8
473.23648	2.2
475.21634	2.5
476.22137	4.1
477.23163	1.6
491.24219	3.5
494.22827	1.3
495.23471	8.3
505.26169	1.8
507.24048	3.1
508.25058	1.4
522.26422	3.5
523.27161	25.5
549.25098	2.9
550.25806	4.5
551.26978	1.6
557.33234	1.8
564.26819	1.3
567.25836	2.7
577.24402	2.2
581.27631	1.8
582.28351	28.4
609.27167	9.5
627.98938	1.4
637.26599	3.6
651.28088	3.9
669.29187	100.0
669.42157	7.4
670.29291	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	668.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01875	1.7
55.05516	11.5
57.03431	6.8
57.07075	8.5
61.02937	19.2
67.05511	53.3
69.03439	2.3
69.07073	16.2
70.30432	1.6
71.08639	3.0
71.56528	1.9
73.02931	10.7
79.05510	16.9
81.03422	3.2
81.07059	60.7
83.04980	1.8
83.08622	12.1
85.02912	27.5
85.06558	3.5
85.10202	2.9
91.03963	27.0
91.05500	13.6
93.07056	16.8
95.04925	2.2
95.08612	50.3
97.02914	13.1
97.06537	5.4
97.10172	6.2
99.04480	2.2
99.08103	8.4
105.07058	8.8
107.08602	14.5
109.10165	26.2
111.08086	4.5
111.11739	2.7
113.09637	5.1
119.08575	15.1
121.10159	19.9
123.11704	12.8
125.09636	2.4
125.49829	1.4
125.92757	1.6
127.03954	7.4
127.05937	1.8
127.11214	5.7
132.49112	1.8
133.10159	15.7
135.11703	15.3
137.09686	2.8
137.13263	14.1
139.11145	1.8
145.04987	12.4
147.11720	9.7
149.13284	4.5
151.14839	12.2
153.12715	1.6
161.13274	12.0
163.06026	17.5
165.12698	2.4
175.14812	6.8
189.16382	3.1
202.16078	2.3
217.19543	63.9
232.47781	1.7
235.20583	100.0
253.21675	2.1
305.10596	2.1
309.24234	40.0
327.25198	13.8
453.28561	2.2
471.29575	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	666.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01874	2.4
55.05516	14.1
56.96555	1.5
57.03429	3.2
57.07071	4.9
59.05013	1.5
61.02932	2.2
65.03927	3.0
67.05173	1.8
67.05508	25.7
69.03424	12.5
69.07070	21.1
69.81156	8.0
70.06586	5.5
71.04977	4.1
72.08147	1.7
73.02916	3.9
77.26450	1.4
79.05495	25.8
81.03426	8.1
81.07059	79.1
83.04968	3.9
83.08629	9.6
84.04517	7.2
84.08143	3.3
85.02909	30.9
85.06532	6.6
86.06049	1.8
86.09697	4.7
87.00838	3.4
87.04491	2.3
91.05481	20.1
93.07046	79.1
93.17185	1.4
95.04978	4.4
95.08612	64.1
97.02905	12.2
97.06543	8.7
97.10165	3.9
98.97578	1.9
99.04451	4.1
99.08064	3.4
102.05532	4.0
105.01881	7.6
105.04499	1.5
105.07032	68.2
107.08598	59.2
109.02888	6.1
109.06535	2.9
109.10162	76.3
111.04476	2.6
111.08086	4.7
111.11720	2.8
115.03933	2.0
116.10731	2.2
117.07028	2.2
119.04919	2.9
119.08591	49.3
120.08121	2.3
121.09322	3.0
121.10151	47.6
123.11700	24.9
125.09613	2.8
127.03901	11.8
130.05000	5.9
131.08601	4.4
133.10135	32.9
135.04460	1.8
135.11703	60.9
137.06010	1.9
137.09654	2.2
137.13190	1.6
142.08640	1.6
142.49680	1.4
143.08604	1.7
145.04932	7.0
145.10115	6.6
147.04381	5.1
147.11691	72.6
148.06049	5.6
149.13268	9.7
151.11195	2.4
159.02869	1.7
159.07959	1.4
159.11659	4.3
161.13239	20.8
163.03917	2.2
163.14804	5.7
165.12758	19.7
171.11696	1.6
175.14835	8.0
177.05522	2.5
177.16411	18.6
182.15442	1.5
191.10315	1.6
195.34708	1.9
201.16385	3.0
203.17963	100.0
204.18243	1.4
205.19487	2.7
211.13242	2.0
219.01953	1.5
219.13591	1.5
221.18997	44.8
227.17743	1.6
231.04980	4.8
249.06064	5.1
259.09735	3.8
269.10532	1.5
271.54633	1.4
347.21997	2.6
373.71313	1.3
382.25949	2.0
384.17310	2.9
388.37790	1.5
393.09705	1.4
400.26990	8.7
437.05392	1.6
552.24561	2.8
666.31378	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	665.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89132	0.3
56.96292	0.6
56.96566	9.6
67.28639	0.4
69.03405	0.4
70.06580	1.0
70.60718	0.8
71.95259	0.8
72.96021	0.4
81.03432	0.4
84.08122	1.5
84.96028	1.6
85.02930	0.4
87.13162	0.3
92.65228	0.3
95.08641	0.4
97.02914	0.4
97.06529	0.4
98.96932	0.9
98.97585	18.0
103.12804	0.4
110.97573	4.2
112.99140	8.6
116.20520	0.4
116.98641	4.5
120.08202	0.4
123.04438	0.4
124.99106	1.4
127.00645	0.4
128.98599	3.0
131.00175	13.7
133.10107	0.3
134.99689	0.9
140.98607	1.3
141.02292	0.5
143.00188	3.9
146.99670	1.1
147.04402	1.1
149.01234	11.4
152.98579	1.2
155.00188	0.8
157.01646	0.4
158.99657	9.4
159.03262	0.5
161.01230	1.7
167.02287	1.2
170.99666	7.0
172.02927	0.6
173.01224	2.2
175.02803	0.7
177.00732	6.4
182.99663	0.4
185.01276	2.3
185.04906	0.4
187.06512	0.4
189.00714	3.4
191.02299	3.5
194.99590	0.4
195.01588	0.5
197.01096	0.5
199.02838	2.5
200.02312	0.4
201.00716	1.9
203.02306	3.0
209.01190	0.9
209.03397	0.7
211.06462	0.5
213.00850	0.7
215.02287	0.5
217.03847	2.1
219.01782	3.0
223.10005	2.2
227.02275	1.3
229.07605	0.5
233.03368	1.3
237.02817	1.4
237.07927	0.5
241.11128	19.4
245.03470	0.4
248.75804	0.3
249.07906	0.8
259.12180	13.4
261.02808	3.2
264.12833	1.1
267.09027	6.2
275.04486	1.2
279.03931	3.8
279.91159	0.3
281.10587	0.9
285.10104	12.7
286.10583	0.4
293.05432	8.9
297.04926	0.6
299.11728	1.2
303.11145	5.0
308.11691	0.7
309.10144	1.3
311.06506	4.2
321.05063	1.2
323.11719	1.2
326.12555	0.4
327.11188	2.5
334.08112	0.6
341.12714	7.1
359.13718	2.5
455.10992	1.1
485.16977	0.9
503.18036	18.8
503.24469	1.3
665.23187	100.0
666.23810	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	663.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	53.5
67.84694	0.4
69.90672	1.6
73.52393	0.4
74.20652	0.3
74.98083	0.4
77.04038	0.6
77.64274	0.3
87.04477	0.9
91.05491	6.8
95.05013	0.7
105.07032	2.0
117.07008	0.6
119.08591	1.1
132.09395	0.5
133.10153	0.5
147.11703	7.0
152.06245	0.7
153.07019	3.4
171.08112	0.4
175.01624	0.7
220.01413	0.4
228.09404	0.5
229.10242	0.9
233.03650	5.2
245.76430	0.4
251.04700	15.4
306.08990	0.4
307.10864	2.0
327.07819	100.0
328.08194	1.3
363.17340	0.7
368.10342	0.5
383.14081	72.4
384.14398	1.3
439.20364	79.6
440.20663	2.1
480.23151	0.7
495.26620	68.5
496.26639	1.2
551.32892	92.1
552.33380	1.9
607.39111	84.2
608.39301	2.2
663.45404	21.0
664.45959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01872	10.3
55.05264	1.4
55.05512	19.1
56.81023	1.0
57.03441	6.6
57.07341	1.1
59.04990	2.6
61.02924	10.6
65.03954	1.8
67.05505	46.1
69.03423	6.3
69.07059	7.7
70.01218	5.6
70.06593	6.6
71.01356	5.4
71.04993	4.8
72.08165	2.2
73.02920	11.1
79.05492	26.5
79.37546	1.0
81.03420	37.4
81.07065	21.1
83.04979	18.3
83.08620	8.7
84.08163	2.2
85.02426	2.2
85.02907	23.4
85.06531	3.1
86.09711	3.3
87.04418	1.1
87.99393	0.9
91.03954	10.9
91.05484	15.3
93.07037	21.2
95.04986	8.6
95.08605	16.6
97.02889	26.2
97.06538	12.5
97.10169	9.2
98.97594	2.4
99.04453	4.4
103.03941	1.3
105.07038	6.5
107.04964	27.0
107.08597	16.3
109.02924	3.0
109.06532	2.3
109.10157	40.0
110.07182	1.8
111.04449	11.4
111.08083	4.7
115.03926	2.2
116.98608	1.6
117.07001	8.2
119.08587	11.8
120.08115	2.2
121.06497	3.4
121.10149	9.7
123.08098	2.4
125.09639	8.6
127.03919	4.1
129.05452	2.3
129.07007	2.6
130.07750	1.2
131.04948	2.4
131.08571	7.3
133.10165	1.4
135.04437	2.3
135.08046	3.9
135.11685	17.1
137.06021	2.5
137.09624	2.8
138.05504	1.2
139.03920	1.9
145.04922	7.4
145.06500	1.4
145.10124	17.5
147.04436	2.0
147.06508	2.8
147.08055	4.0
147.11702	1.6
149.01265	1.8
149.09622	2.1
153.05511	1.4
153.12752	20.5
155.08582	3.2
155.10626	6.9
158.99678	2.4
163.06064	6.1
163.11182	40.6
171.06694	1.5
173.09613	7.7
173.11736	25.7
173.26833	1.1
177.00706	1.2
177.05449	1.6
181.05029	2.1
181.12233	14.2
191.10684	13.9
199.05920	1.8
209.11728	13.0
217.07036	2.9
227.12834	11.7
229.14348	100.0
231.09029	1.3
241.03088	1.4
252.09283	2.1
265.14377	2.1
283.15427	11.9
286.04700	2.6
287.05569	1.4
301.16470	17.1
333.11990	3.1
333.62286	2.9
334.12781	3.9
388.05872	1.2
445.20615	17.1
583.08344	1.2
660.36725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.96566	8.8
61.02912	0.4
62.23385	0.3
65.19924	0.4
67.05466	0.7
69.90649	1.7
71.95266	1.8
74.97563	0.5
81.07010	0.7
84.95972	1.5
91.05466	0.3
97.96784	0.8
98.21392	0.5
98.97546	1.6
105.00069	0.4
110.97570	6.8
111.98345	0.5
115.00673	0.5
115.97778	0.5
116.98588	0.6
124.99105	1.2
128.97704	0.4
128.98601	6.7
129.99417	2.6
131.00122	0.6
139.00598	0.6
139.44818	0.4
141.08624	0.4
141.99324	1.3
143.00166	2.2
143.97244	0.8
146.99588	1.7
148.00386	1.6
152.00122	0.4
153.02132	1.1
155.00148	0.5
157.01729	0.8
160.00414	1.9
161.01170	1.1
161.98346	1.1
167.97234	0.5
169.01752	0.6
171.03307	2.3
172.00438	0.8
173.01091	0.5
175.02733	0.6
179.03789	0.9
180.77902	0.4
181.05280	0.9
182.99673	1.1
183.03275	1.3
184.00444	0.5
184.04111	1.0
185.01183	1.1
185.04823	3.2
186.01958	1.1
187.99916	0.6
189.04321	1.5
190.01422	0.4
197.01213	5.2
197.04832	1.6
198.02051	0.4
198.05508	0.5
199.02728	0.8
199.06422	5.3
201.00620	1.0
201.04308	0.9
201.08076	0.5
202.05124	0.6
203.02104	0.5
203.05840	1.5
204.02972	0.6
205.01704	0.6
205.07451	1.0
209.04933	0.7
211.02881	0.5
211.06378	1.3
212.03548	0.6
213.04175	0.4
213.07924	3.0
215.02299	4.7
215.05658	0.9
216.02911	0.5
216.06619	0.4
217.07463	4.2
221.04819	1.6
222.07977	0.5
223.02698	1.2
223.06354	0.7
223.10152	0.6
225.07875	0.5
226.05124	0.5
227.05908	2.4
229.07494	6.4
231.09042	1.4
237.04260	1.1
238.03807	0.4
239.05922	7.2
239.09596	0.9
240.06741	3.7
240.08916	0.7
241.07486	1.6
241.11127	2.7
242.08220	0.7
243.08989	0.7
244.06122	1.4
245.06914	1.3
247.08571	2.8
251.09541	0.5
252.08966	0.5
253.11182	0.5
255.05396	0.6
255.08997	0.7
257.06982	17.5
258.07761	15.7
259.08435	1.7
259.12225	2.6
261.10046	0.6
262.08688	0.5
267.08942	1.0
269.10626	1.1
272.05807	2.0
275.08017	3.1
276.08817	4.9
279.08914	1.3
280.09348	2.1
281.09360	1.6
283.82501	0.4
289.14661	1.3
290.06720	1.1
295.12106	0.5
297.10098	1.2
298.10864	1.5
305.17627	0.6
307.15845	1.2
313.14706	1.9
316.12085	0.6
331.15790	24.5
349.16861	100.0
350.17340	1.7
367.17926	39.2
368.18222	0.8
372.18326	2.6
373.19183	0.4
385.18698	0.6
390.19550	11.0
391.19925	0.5
641.36914	0.8
659.38287	50.3
660.38318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	0.6
56.96515	21.6
56.96820	1.6
67.05440	1.1
71.56881	0.4
71.95270	2.5
72.95982	1.1
74.97581	0.6
79.05437	1.1
81.07038	0.7
82.27634	0.3
84.95985	0.6
89.45745	0.3
90.53194	0.3
91.05441	0.8
93.07030	0.7
95.04946	0.4
95.08558	0.7
97.96781	1.1
98.97573	1.9
99.16544	0.3
105.06991	0.4
107.08571	0.6
108.03545	0.3
110.97559	2.0
115.00614	1.0
115.97755	0.3
116.98558	0.6
117.07005	0.4
119.01657	0.7
121.10120	0.5
123.01187	0.6
128.98627	2.3
133.10039	0.4
137.02695	1.4
139.00626	0.5
141.02179	0.6
146.99579	1.1
147.03270	0.5
147.11647	0.5
149.04727	0.3
151.04248	0.4
155.03690	1.3
159.03229	0.4
161.01146	0.5
167.03761	1.0
169.01691	0.5
169.05260	0.6
171.03300	1.8
173.04774	1.1
181.05267	1.4
183.03285	0.8
183.06885	1.4
185.04858	2.5
185.08514	0.5
187.06389	0.9
188.07376	0.3
189.04308	1.2
191.05765	0.6
193.05328	0.6
195.06882	2.7
197.04884	0.9
197.08412	0.5
199.04707	0.5
199.06438	7.9
201.04362	0.6
201.07979	1.8
203.05901	2.3
203.09602	0.5
205.07440	0.8
209.04944	0.6
211.06430	7.3
213.07988	24.8
217.05380	0.4
217.07466	6.5
219.08945	0.8
222.08066	0.7
223.02805	0.4
223.06387	0.6
225.07974	3.2
227.05966	0.4
227.09497	1.6
229.07489	39.9
231.09058	22.2
236.09604	3.1
237.07924	1.1
239.05920	0.4
239.09578	1.1
240.08978	0.6
241.11185	0.6
243.06586	0.7
243.09061	13.6
245.10527	1.8
247.08551	18.3
249.07950	1.0
251.09511	1.8
252.09123	5.0
253.11118	0.9
254.10646	1.6
255.09056	3.8
261.10104	6.3
263.09549	0.8
265.11282	0.8
266.10690	1.7
267.09042	4.3
269.10605	6.4
270.10114	1.2
271.08585	0.4
273.10095	2.6
276.09027	0.5
278.10654	0.6
279.09018	0.6
279.12537	0.7
280.09879	0.9
281.10526	0.6
285.10104	3.9
287.11664	1.7
290.10809	0.5
291.12592	1.0
292.12289	1.1
295.12274	1.1
297.13696	0.4
313.14664	1.6
321.17303	0.6
331.15808	10.4
349.16864	100.0
350.17249	2.0
354.17221	0.6
367.17935	29.3
368.18311	0.9
372.18433	2.6
390.19522	13.5
391.19791	0.6
521.27795	1.3
561.30927	0.6
587.32404	0.4
641.36298	0.4
659.38348	33.3
660.39038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28889	0.4
55.05482	0.5
56.96564	34.5
56.96835	1.3
57.09359	0.4
58.71496	0.5
61.02889	2.0
67.05466	1.5
67.77587	0.4
69.03410	1.2
69.07021	0.9
69.87173	0.5
69.99129	1.1
69.99517	1.2
71.95274	3.8
72.96039	2.8
73.02882	1.0
74.97606	0.9
79.05440	1.2
81.03402	0.7
81.07021	1.5
83.04947	0.5
83.08620	0.6
84.96005	1.5
85.02905	2.8
91.03949	1.0
91.05436	0.7
93.07017	1.1
95.08582	1.0
97.02878	2.5
97.96836	1.3
98.97543	1.4
105.00135	1.5
105.07011	0.6
107.08594	0.6
109.10110	0.6
110.97537	2.7
115.00642	1.9
116.98560	0.6
119.01659	1.1
121.10103	0.9
123.01134	1.4
127.00671	1.0
127.03880	1.3
128.98584	3.2
131.08502	0.5
133.01700	0.6
133.10126	0.6
137.02686	1.9
139.00642	1.6
141.02219	1.8
145.04919	0.6
146.99591	1.7
151.00620	1.2
153.02167	2.2
155.03764	2.0
157.01707	0.8
159.03239	1.2
167.03777	2.2
169.01714	1.5
169.05333	0.6
171.03305	5.6
173.04842	1.2
177.05862	0.7
179.03621	0.5
181.05310	1.7
183.03252	1.2
183.06844	0.5
185.04849	7.4
187.02763	0.7
187.06383	1.3
189.04327	3.3
191.03897	0.5
191.05836	0.7
193.05307	1.5
195.03258	0.6
195.06892	3.4
197.04884	1.2
197.08441	0.6
199.06409	11.2
201.07834	0.5
203.05899	6.0
205.07362	0.8
207.06845	2.5
208.06267	0.7
209.04848	1.7
211.06392	5.0
213.07971	25.2
215.05913	0.6
215.09496	0.5
217.05345	0.7
217.07458	9.9
219.06982	0.6
221.04919	0.5
221.08563	2.5
222.07971	0.7
223.06479	0.7
223.10115	1.3
225.07983	10.2
226.05310	0.5
227.05951	1.2
227.09521	3.4
229.07448	3.9
231.06915	2.1
231.09029	18.5
233.08536	0.9
236.09587	1.8
237.04355	0.7
237.07944	5.3
238.04793	0.5
239.09543	6.3
241.11102	1.8
243.09030	4.8
245.10612	2.3
248.09607	1.0
249.07939	5.8
251.09512	21.3
253.11055	1.2
254.10675	0.8
255.09053	25.3
257.10568	3.3
259.12195	0.9
261.07785	0.6
262.08759	0.6
262.11264	0.6
263.09528	0.8
267.09036	35.3
269.10596	100.0
270.10892	0.9
273.10086	10.4
275.20255	0.5
278.10614	3.0
279.09024	1.7
280.09756	1.0
285.10095	33.4
287.11649	25.5
287.14886	1.1
290.10516	3.0
292.12192	13.5
293.14462	0.8
303.11182	2.6
307.15762	0.9
308.11685	2.9
310.13260	1.7
313.14560	1.1
319.15817	0.5
321.17798	0.5
331.15790	11.0
335.25656	1.7
349.16837	31.9
350.17072	0.6
367.17926	77.4
368.18344	1.5
372.18408	1.8
385.18973	5.1
390.19507	14.5
425.03357	0.5
449.21570	0.5
463.23816	3.3
473.42764	0.5
479.23273	0.6
547.29218	2.0
561.31000	13.8
577.30792	0.8
641.36700	1.3
659.38263	60.8
660.38391	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28020	0.2
56.96514	19.9
65.58395	0.3
67.05455	0.4
69.07020	1.0
69.07348	0.4
69.21888	2.5
71.95273	2.2
72.95982	1.2
74.97572	0.5
79.05489	1.3
81.07018	0.4
83.78971	0.3
84.96017	1.4
89.94118	0.3
91.05437	0.5
95.04900	0.3
95.08549	0.3
96.72327	0.3
97.96793	0.8
98.21502	0.7
98.97518	1.1
99.69090	0.3
105.00150	1.4
105.06945	0.5
110.97567	3.5
112.99104	0.4
115.00622	0.4
116.98594	0.5
119.01664	0.6
119.08498	0.3
123.01145	0.5
124.86375	0.3
124.99061	0.3
127.00605	0.5
128.98621	3.1
129.02150	0.8
132.99579	0.5
137.02742	1.2
139.00597	0.6
141.02188	0.6
143.00095	0.9
143.03749	0.5
146.99591	1.0
147.03246	0.4
151.00597	1.1
153.02161	1.0
155.03745	1.1
157.01677	0.5
159.03223	0.8
161.01152	0.8
161.04877	0.3
163.04341	0.3
165.02208	0.6
167.03754	1.0
169.01711	1.6
169.05301	0.6
171.03313	1.9
173.04810	0.9
175.02779	0.5
175.04143	0.3
177.02296	0.3
177.04248	0.4
179.00122	0.5
179.03767	0.6
180.00851	0.2
181.05341	1.1
183.03252	0.6
183.06885	0.3
185.04837	2.6
187.02719	0.8
187.06357	0.9
189.04272	0.7
189.05809	0.3
191.03880	0.4
191.05902	0.6
193.05362	0.4
194.68277	0.2
195.06856	0.5
197.01212	0.3
197.04811	0.7
199.06404	4.2
201.04308	0.3
201.07910	0.3
203.04044	0.4
203.05853	1.8
203.07481	0.4
205.01627	0.7
205.05557	0.3
205.07423	1.2
205.09145	0.3
207.06892	0.7
209.04884	0.5
209.08452	0.3
211.06441	1.7
211.10098	0.3
213.07835	1.4
215.05779	0.4
217.05373	0.6
217.07425	3.5
219.06804	0.3
219.08885	0.4
221.04732	0.6
221.08582	1.3
223.02750	0.9
223.06453	0.7
223.08438	0.6
225.07906	2.0
227.09499	0.7
228.02861	0.3
229.07344	1.3
231.06929	0.4
231.08926	0.6
233.08463	1.2
235.06448	0.9
235.10075	0.7
237.04237	0.7
237.07970	2.1
239.09595	3.0
241.07401	0.9
241.11046	0.8
243.06949	0.3
243.09087	2.8
245.08482	0.8
245.10640	0.6
247.10158	0.6
249.07990	1.1
249.11514	0.4
251.09514	4.6
253.07234	0.3
253.11113	1.8
255.09056	8.4
257.10577	1.1
259.10025	2.1
261.09885	0.5
261.12091	0.5
262.08649	0.4
263.09592	2.7
265.11124	2.1
269.10663	2.0
271.12259	0.5
273.09958	2.7
275.09436	1.1
277.11145	9.2
278.10529	0.6
279.09250	0.7
279.12646	2.9
280.09857	1.6
281.10602	7.0
283.12088	0.4
289.11169	0.6
291.12595	1.6
293.14264	1.0
295.12131	2.2
297.13840	0.9
298.10870	0.8
299.11676	2.9
300.12622	0.8
302.14423	0.4
304.12189	0.6
307.12109	0.5
307.15646	0.4
309.13760	0.3
313.14844	1.7
321.17227	0.3
329.14063	0.3
331.15802	52.2
332.16162	1.0
349.16867	100.0
350.17310	1.4
354.17209	0.4
367.17938	58.2
368.18393	0.9
372.18494	6.7
385.19067	0.8
390.19550	11.4
391.19873	0.4
613.96228	0.3
641.37152	2.3
659.38379	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	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	34.1
56.96829	2.1
65.43053	0.6
69.76575	2.7
69.76994	1.0
71.95266	4.2
72.95995	2.7
81.07014	0.9
84.95992	0.9
97.96778	1.3
98.97540	1.5
105.00109	1.8
110.97536	4.0
112.09586	0.7
112.99088	0.8
115.00648	1.6
116.98598	1.1
119.01682	1.5
120.86617	0.7
123.01144	1.4
127.00629	1.1
128.98636	3.5
129.02190	1.5
131.00136	0.9
133.01666	0.6
134.78990	0.7
137.02699	2.3
139.00616	1.8
141.02176	2.0
143.03831	0.8
146.99594	1.4
147.03246	0.8
151.00594	1.8
153.02191	2.7
155.03751	1.0
157.01683	1.3
159.03287	1.8
165.02179	1.6
167.03804	3.2
169.01691	1.3
171.03302	7.7
173.04794	1.0
175.02675	0.7
179.03777	0.9
181.05374	1.1
183.03249	1.6
185.04851	9.8
187.06393	1.0
189.04280	2.9
193.05328	1.6
195.06883	3.0
197.04765	1.8
199.06435	11.8
203.05875	5.2
204.45311	0.7
205.07477	1.2
207.06866	2.2
211.06429	5.0
213.06068	0.7
213.07961	13.8
217.07449	8.7
219.03305	1.1
221.08432	1.8
222.07939	1.0
223.06412	0.9
225.07996	8.4
227.09523	4.9
229.07475	2.6
231.06914	1.8
231.09000	9.0
233.04681	1.0
236.09546	1.8
237.04298	1.0
237.08005	4.9
238.23717	0.7
239.09566	8.0
241.11140	2.0
243.09007	3.1
245.10562	3.1
249.07959	5.9
251.09560	14.2
253.11104	3.5
255.09052	25.3
257.10587	2.6
262.08740	1.6
267.09052	44.3
268.09521	0.9
269.10611	67.1
271.12158	1.5
273.10046	11.7
274.07260	0.8
277.11197	1.6
278.10611	3.5
279.09024	2.6
279.12463	1.4
280.09927	1.2
281.10654	1.0
283.12097	1.3
285.10095	39.7
287.11670	16.6
287.83447	0.7
289.11084	0.8
289.14767	0.8
290.10681	3.0
291.12787	5.9
292.12137	5.9
295.12085	1.1
296.11755	0.9
297.10092	1.1
303.11172	2.2
307.12030	2.1
307.15366	0.9
308.11746	3.7
309.13693	5.0
310.12915	0.7
313.14661	2.0
325.13168	1.1
331.15802	16.3
345.95920	0.7
349.16846	59.1
367.17929	100.0
368.18652	1.4
372.18442	1.7
385.19003	5.0
390.19525	13.2
391.19595	0.8
409.23041	0.7
423.93713	0.8
463.23682	1.8
502.08337	0.7
547.29321	1.0
561.31012	8.7
641.37421	2.9
659.38336	58.9
660.38245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01862	2.2
55.05505	6.1
56.96575	1.6
57.03425	6.9
57.07082	2.1
62.26037	1.6
65.03928	2.2
66.91063	1.5
67.05514	22.8
69.03431	4.5
69.07065	5.0
69.42764	11.3
70.06577	2.2
73.02939	1.9
79.05496	13.6
81.03443	8.6
81.07066	13.5
82.06596	1.8
83.08607	3.7
85.02913	17.3
85.06536	1.9
87.00815	1.6
88.21577	1.4
89.03926	1.8
91.03951	1.5
91.05499	9.5
93.07020	5.8
94.06559	2.1
95.04973	2.9
95.08600	6.4
96.08138	2.4
97.02883	4.8
97.06515	4.6
98.97593	2.9
105.07005	6.0
107.04948	2.3
107.08547	3.5
108.08087	2.4
109.02890	4.7
109.10143	6.2
110.09673	2.3
111.04415	2.7
115.60899	1.6
119.04994	2.8
119.08595	3.9
120.08134	2.1
121.02888	2.4
121.10210	1.9
122.06068	2.5
123.04405	2.4
124.07565	1.8
125.02396	2.3
127.03891	2.0
131.04924	2.0
131.08531	2.3
133.10139	1.8
136.07574	4.2
137.02307	3.2
137.05986	1.7
141.01797	1.8
147.04378	6.8
149.02292	2.8
151.03867	2.0
151.07559	8.3
153.01852	12.2
157.06461	2.4
161.02379	1.9
162.05486	2.6
163.03856	3.5
165.01866	22.6
165.06996	1.7
166.08636	2.9
167.03412	23.8
169.06454	2.1
171.02985	3.7
171.04405	4.9
172.03960	16.7
173.06000	5.0
175.03943	3.6
177.01868	14.5
177.05428	1.9
178.04984	3.0
179.03401	6.3
181.06526	2.3
183.02890	6.3
183.08105	1.9
184.05247	2.2
185.05939	4.9
187.03943	4.0
187.12274	1.9
188.03336	2.0
189.01845	4.7
189.05434	2.3
190.04939	4.8
191.03375	6.6
191.10672	7.1
195.02927	34.7
197.06085	9.2
198.06786	2.5
198.09126	10.1
199.03973	2.0
201.05521	3.4
203.03432	4.2
204.06604	16.6
205.01317	3.5
205.05042	4.4
205.12302	2.4
207.02919	3.2
211.07520	1.7
215.11858	8.4
217.04956	2.6
219.02870	5.8
226.08621	4.4
227.11824	2.0
231.02885	3.4
233.04436	1.9
237.05443	2.0
240.10278	2.4
241.04872	2.0
241.13226	2.2
243.02849	4.3
243.11320	47.3
245.04349	1.9
255.11174	2.1
259.05997	2.3
261.03931	5.7
263.07169	1.7
265.04849	2.1
267.06503	3.4
269.04370	3.0
271.05972	6.3
275.07285	1.8
283.06107	3.5
283.13211	2.3
285.12366	44.9
285.17111	2.0
291.06635	2.2
293.04529	2.0
293.08124	2.4
295.06058	7.6
296.06796	1.7
297.03827	2.4
298.04797	2.6
299.05441	5.5
301.11911	4.0
303.06583	3.1
303.13416	44.0
307.05756	3.2
309.04379	1.9
309.07639	7.2
310.04639	3.8
311.05606	8.2
311.12857	2.5
315.33200	1.7
317.08051	7.3
319.06189	3.9
321.07474	4.9
323.05603	17.1
323.09183	2.4
324.06311	5.8
325.07043	4.2
325.11835	2.2
327.06464	2.6
329.06500	1.9
331.06165	3.4
333.07623	2.7
334.04459	2.8
335.05429	13.3
335.09140	4.1
336.06250	10.0
337.07083	33.1
337.11072	2.5
338.07825	4.5
341.06570	1.8
345.07489	8.1
347.05609	13.5
348.06107	4.9
349.07037	9.8
350.07809	5.8
351.08762	5.6
353.06573	9.1
355.05984	6.8
359.05295	2.6
360.06128	1.8
361.07111	11.5
362.07819	5.1
363.04907	3.1
363.08707	18.9
364.09497	10.9
365.06476	9.3
367.07889	2.3
369.07016	2.2
373.06918	8.0
374.07709	6.2
375.04510	2.0
375.08554	8.9
377.06445	4.7
377.10400	5.2
379.07904	3.4
383.12448	2.2
387.08633	6.4
389.06189	3.2
391.08142	5.0
399.08377	2.3
415.08084	3.0
433.16449	7.4
445.16550	25.8
447.18304	3.6
457.16415	28.3
459.18112	3.8
461.15976	30.1
463.17349	4.9
469.16455	2.2
473.15762	7.8
475.17691	26.5
479.17102	21.1
485.15936	78.1
491.16885	7.5
493.18579	4.4
497.18091	18.5
499.17715	7.6
503.17029	73.1
509.17700	7.1
511.17548	2.9
513.19128	3.6
515.16870	4.7
521.18103	87.7
523.17773	4.0
527.17133	21.8
539.19147	55.6
541.18335	5.9
545.18127	17.5
551.17120	6.0
557.17999	5.8
563.18811	7.4
569.17773	15.0
575.19318	4.0
583.25659	2.0
587.10919	2.7
587.19226	31.2
588.20270	2.2
599.24683	2.7
605.20282	49.5
623.21320	100.0
627.24103	4.8
641.22211	52.9
659.23212	83.1
659.32391	13.1
660.23663	2.7
662.39343	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	659.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01859	4.7
55.05519	7.8
57.03429	4.8
57.07085	1.6
57.29416	1.3
61.02916	3.9
63.94186	1.2
65.03927	2.4
67.05509	19.6
68.99796	1.7
69.03421	3.7
69.07074	3.8
70.06588	2.0
71.56750	1.5
73.02887	1.5
79.05503	9.1
81.03423	9.0
81.07061	12.3
84.08107	1.3
85.02910	17.9
87.04440	1.1
91.05479	7.9
93.07050	4.6
95.04953	3.4
95.08601	4.9
97.02887	3.9
97.06504	1.6
98.90679	1.5
99.04446	1.5
105.07014	4.5
107.04940	2.0
107.08598	4.1
109.02155	1.5
109.02865	5.7
109.06441	1.3
109.10158	6.1
117.07005	1.4
117.59702	1.2
119.08574	2.8
121.02872	3.2
123.04396	1.7
125.67698	1.3
127.03934	2.3
131.04965	1.5
131.08606	1.8
133.10143	2.3
137.02342	3.1
139.03867	1.4
141.01791	2.7
141.07040	2.2
145.06476	1.8
147.04466	6.2
149.02316	2.7
153.01836	8.3
161.02310	1.6
161.05904	1.8
162.03113	1.3
163.03896	3.1
165.01852	21.0
165.06990	2.1
167.03404	20.2
169.06456	2.9
171.02968	2.6
171.04424	4.2
172.99159	1.3
173.05948	4.1
175.03944	4.9
177.01845	16.1
179.03392	5.7
181.01396	1.6
181.05031	1.6
181.06503	1.9
183.02888	8.5
183.08040	1.4
184.05237	1.8
185.05980	3.7
187.03891	3.7
187.07503	2.2
189.01842	5.6
191.03409	7.9
195.02899	37.9
195.08070	1.4
197.05962	9.8
198.06778	3.4
201.05406	4.7
203.03383	3.1
205.01363	1.8
205.04977	4.4
207.02841	3.6
211.07559	4.1
213.05418	1.6
215.03459	2.6
215.07013	1.4
217.01350	1.5
217.04997	3.2
219.02859	4.9
221.06204	1.8
224.08124	1.9
225.05362	2.0
229.05212	1.6
231.02820	1.7
233.04295	2.3
239.07033	1.9
241.04991	2.3
243.02855	3.9
251.07054	2.4
259.05945	2.0
259.60590	1.5
261.03961	4.8
265.04898	1.5
267.06366	1.9
271.06000	2.0
279.06479	3.9
281.04437	2.2
283.06027	3.2
283.13193	2.3
291.06387	1.5
292.89114	1.2
293.08066	2.5
295.05994	4.6
297.04160	2.0
299.05548	3.9
300.06076	1.9
303.06516	2.7
307.06110	2.7
308.06680	3.9
309.07526	5.4
310.04666	5.5
311.05460	11.1
311.12674	2.1
312.06302	1.5
313.07166	2.9
317.08020	4.6
319.05942	3.7
321.04025	2.4
321.07455	3.2
323.05566	13.4
324.06277	5.2
325.06949	5.7
327.06400	3.1
328.05762	2.1
331.05823	2.7
333.07532	4.5
334.04614	1.6
335.05463	15.7
335.09222	4.4
336.06311	9.6
337.07050	32.8
338.07782	5.8
339.04950	2.5
339.08609	2.5
339.12238	1.4
340.06097	1.2
341.07205	2.3
344.06790	3.3
345.03925	2.3
345.07617	8.6
347.05496	17.9
348.06238	4.5
349.07104	10.7
350.07736	6.2
351.04739	1.8
351.08765	6.2
353.06519	7.9
355.05801	6.5
359.05490	2.0
361.07071	14.2
362.07938	3.8
363.04843	3.1
363.08771	20.9
364.09418	12.1
365.06561	11.8
369.07806	1.6
373.06857	9.8
374.07877	5.6
375.04858	1.4
375.08722	10.3
377.06351	3.3
377.10397	3.5
379.07977	1.8
385.06732	2.1
387.08545	5.6
388.09390	2.5
389.06052	3.1
389.10202	4.4
391.08057	4.3
392.09018	2.1
401.10110	2.6
405.09653	1.7
413.17578	2.3
415.07666	2.2
416.08878	1.5
417.09772	1.6
431.07904	2.4
433.08890	1.3
433.16510	4.7
445.16492	29.5
447.18246	2.7
457.10013	2.4
457.16440	30.2
461.16003	20.1
463.16995	3.8
469.16516	2.2
471.18036	1.9
473.15900	8.9
475.17593	24.5
475.24213	1.0
477.15237	1.6
479.16980	12.9
485.15918	83.7
486.15759	2.0
487.17471	3.7
488.31314	1.4
491.17017	7.6
493.18335	2.2
495.17126	2.0
497.17975	10.9
499.17584	10.3
503.17017	80.5
503.77463	1.5
504.17859	2.6
511.17233	2.5
513.19141	3.6
515.17029	5.1
521.18097	92.6
523.17230	4.2
527.16998	18.8
529.18304	1.6
533.17920	2.6
539.19080	46.2
541.18231	4.0
545.18201	13.1
551.17273	5.7
557.17694	4.6
559.19763	3.0
563.18811	4.9
569.17950	20.0
575.18835	3.4
587.19171	30.9
605.20203	42.2
623.21265	100.0
624.21222	1.8
641.22253	47.3
659.22925	62.4
659.32483	19.5
660.22882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08492	1.4
55.05500	4.3
57.03439	5.7
57.07080	40.0
60.74822	1.2
61.02929	11.0
67.05517	12.0
69.03424	2.1
69.07072	8.3
69.71271	5.9
69.71676	2.1
70.06601	8.0
71.08633	30.9
73.02917	5.3
75.04485	2.4
79.05506	1.7
79.83553	1.3
81.03432	1.5
81.07059	16.5
83.08620	8.7
85.02913	15.5
85.10190	17.2
88.07641	11.1
89.06049	2.0
91.03964	14.3
95.08612	24.7
97.02898	6.9
97.10189	5.5
98.21421	1.9
102.09181	6.5
103.07555	1.2
109.10153	13.1
111.11693	2.8
123.11744	5.6
127.03935	4.5
133.10098	1.5
145.04999	6.4
145.10181	1.6
149.02371	19.8
163.06065	10.5
175.04086	1.5
193.04971	17.6
225.22169	18.8
237.07561	6.6
243.23308	3.8
256.26343	18.6
263.07480	1.5
299.25818	100.0
317.26892	34.4
317.32736	1.3
341.06683	4.1
359.07709	3.5
385.09131	8.0
429.11710	11.5
461.31210	2.9
493.19208	1.8
658.35834	51.4
659.36060	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	657.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46970	0.4
58.70987	0.4
67.05514	0.7
69.07069	0.5
69.25767	1.0
69.26180	3.0
70.06580	0.4
80.43832	0.4
80.52660	0.4
81.07058	0.9
83.04986	0.7
89.06025	0.6
93.07047	0.5
107.05009	0.4
173.11931	0.4
175.41220	0.4
184.66975	0.4
278.22244	0.4
329.20859	2.8
351.21518	1.8
391.80701	0.4
507.24268	0.5
601.25879	0.7
621.45111	0.5
639.46588	0.7
657.43378	100.0
658.43427	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	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.7
55.01870	6.9
55.05512	16.4
57.03439	27.4
57.07076	4.8
61.02932	99.8
63.64313	2.9
65.03915	2.7
67.05509	42.7
69.03080	3.1
69.03432	40.8
69.07072	14.8
71.01337	7.3
71.04996	8.2
71.38656	5.6
73.02923	36.9
75.04477	2.8
79.05070	3.1
79.05503	53.4
81.03416	30.7
81.07061	44.7
83.04985	8.9
83.08624	9.2
85.02909	100.0
87.04496	3.6
91.03962	65.8
91.05487	54.5
93.07056	47.4
95.04960	10.2
95.08607	26.7
96.65288	2.8
97.02901	88.7
97.06534	8.4
97.10163	3.2
99.04451	13.9
101.02377	9.2
103.03953	8.2
103.05463	2.4
105.06389	3.8
105.07039	50.7
107.04960	8.3
107.08610	30.1
109.02856	12.8
109.06525	5.3
109.10173	16.4
109.66758	2.8
111.04459	6.2
111.08075	4.6
113.06034	2.6
115.03953	6.2
117.05546	4.0
117.07036	24.4
119.04954	3.2
119.08593	40.1
121.06510	3.7
121.10128	29.9
123.04459	2.4
123.08064	5.6
125.09633	3.9
127.03933	37.1
127.40239	2.6
128.06268	3.6
129.05489	7.2
129.06973	12.5
131.04887	4.1
131.08589	27.5
132.65851	2.4
133.06508	3.0
133.10144	29.9
135.08083	2.8
135.11679	22.0
137.09634	3.4
141.06989	4.6
142.07703	3.6
143.08531	15.4
145.04994	23.6
145.10121	21.4
147.08067	6.3
147.11685	24.9
149.09648	4.9
149.13269	12.4
151.07617	2.5
155.08571	8.1
157.10104	17.0
159.07977	3.2
159.11678	17.8
161.09573	4.1
161.13266	10.5
163.06013	8.7
163.11113	5.0
163.14842	4.1
167.08586	4.2
169.10156	10.5
171.11728	8.6
173.04407	3.7
173.11887	3.4
173.13283	10.7
175.11163	3.9
175.14847	5.1
181.10126	4.1
183.06535	4.8
183.11653	6.3
185.09656	4.2
185.13248	7.9
187.11208	4.5
187.14760	3.0
195.11703	3.7
197.13193	4.1
199.11002	2.7
199.14859	4.9
209.13248	5.2
229.14340	5.3
241.19524	9.7
250.81990	2.6
257.18961	5.5
259.20569	27.6
267.15842	6.1
271.20551	5.0
275.20224	3.3
277.21695	6.6
283.20526	4.2
297.22116	3.3
301.21518	11.7
307.20508	3.0
313.21603	6.3
315.23047	3.3
324.18521	2.6
325.21616	8.6
329.00366	2.4
331.22824	3.1
333.24265	48.3
339.23071	4.9
343.22864	2.6
349.21326	4.3
351.25198	3.4
355.15155	4.2
361.23645	2.7
363.25275	4.8
367.22446	12.4
375.25156	8.6
385.23633	5.9
399.25162	4.8
403.24625	3.7
417.26508	3.6
421.25989	4.8
423.25507	4.4
429.26300	4.5
441.26367	20.7
459.27551	15.3
477.28491	21.1
495.29486	16.5
499.05826	2.5
527.28644	2.6
603.30719	3.2
657.32208	14.1
657.43524	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	657.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92284	0.9
55.05516	1.1
56.25851	1.0
56.28296	1.1
57.07063	0.9
59.35976	0.9
62.59852	0.9
67.05509	1.5
69.80434	4.0
79.05486	1.9
81.07069	3.0
91.05466	1.7
93.07059	2.5
95.08595	2.1
107.08589	1.2
121.10126	1.3
123.51941	1.1
130.34447	1.0
166.87154	1.1
179.14241	1.1
183.09245	1.3
209.10779	1.6
217.63371	1.1
221.10582	1.5
223.12335	1.7
235.12462	1.5
237.13937	1.5
244.04224	1.2
247.12361	1.2
248.12648	1.0
249.13745	1.3
259.12491	1.1
261.14050	1.9
273.13806	2.3
274.13486	1.8
313.16104	1.1
314.16498	1.7
318.15799	1.4
326.16333	1.3
337.15338	1.3
338.16580	1.5
340.18185	1.8
350.16095	1.4
354.19583	1.5
365.17725	1.5
366.19293	1.4
374.16690	1.3
376.17795	1.5
377.17719	3.2
378.19324	1.8
379.19293	4.6
381.20975	2.2
389.17831	2.1
391.19476	3.8
392.20184	2.2
393.16678	1.6
393.21088	2.6
395.18570	2.4
405.16296	1.5
405.21130	1.8
407.18256	2.6
407.22559	2.9
408.19482	4.2
409.20450	5.2
418.18698	1.4
419.18155	2.0
419.23056	1.9
421.19684	5.5
422.20840	3.4
423.21939	14.9
424.22235	1.5
434.21796	1.3
435.22211	8.5
436.22806	4.9
437.23373	3.1
446.13916	1.3
446.21005	2.4
447.21829	2.4
449.23285	4.6
450.24020	1.7
451.20691	4.9
454.20184	4.0
456.22818	1.5
461.23935	7.9
462.20898	2.2
463.21194	4.0
464.22012	2.4
465.23312	3.1
466.22940	2.0
467.24368	4.0
468.25040	3.3
476.22650	1.6
477.23352	6.9
478.24487	1.9
479.25180	5.4
481.22275	3.6
491.74942	1.1
493.21484	6.2
494.26263	4.1
495.23624	11.8
496.24380	4.0
506.23212	1.3
507.23520	1.4
508.24731	14.3
509.25925	10.5
510.26456	9.9
511.27304	9.9
519.24133	1.3
521.25085	4.8
522.25610	2.1
523.23352	4.8
525.28613	1.7
526.28607	2.0
537.25024	18.2
538.25732	8.6
545.38513	5.0
549.24847	1.8
553.28680	6.9
555.26007	2.4
565.24133	3.1
566.24786	1.8
570.28418	3.5
581.27533	17.4
583.25293	4.8
595.28967	1.7
597.27094	44.2
598.27490	4.6
613.30267	70.3
625.26593	100.0
626.26984	1.5
657.28864	11.2
657.40875	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	656.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.4
56.05028	0.6
57.03428	1.2
57.07067	0.4
64.48877	0.4
65.03928	0.4
67.05238	0.4
67.05507	4.5
69.07072	2.9
70.06587	0.5
70.77964	0.4
71.04992	0.5
71.08780	0.7
79.05508	2.4
79.63004	0.3
81.07057	6.2
82.06575	2.0
83.05006	0.6
83.08619	1.9
91.05463	1.6
91.05970	0.4
93.05766	0.6
93.07050	4.5
94.06556	0.7
95.08604	4.5
96.08123	1.0
97.10175	0.8
98.98485	0.4
105.07015	1.3
106.06539	1.9
107.07352	5.8
107.08572	3.0
108.08115	6.0
109.10162	1.8
110.09702	1.0
111.08029	0.4
116.86836	0.4
119.08597	1.2
120.08110	0.6
121.08872	0.8
121.10158	0.5
122.09646	1.9
123.10458	0.6
123.11691	0.7
124.11217	2.8
124.99982	1.7
133.10110	0.8
134.09656	6.1
135.10443	32.0
135.11627	2.2
136.11227	2.7
137.12024	0.7
148.11218	1.7
149.12009	2.5
149.13094	0.7
150.12779	4.4
152.14328	3.2
161.13304	0.8
167.09409	2.0
168.04150	0.6
169.13498	0.4
176.14360	0.9
178.15915	51.2
179.16290	0.5
180.17470	13.4
196.16974	3.6
202.15897	0.7
204.04126	0.4
204.17363	0.4
220.80266	0.3
222.08923	1.7
222.18527	6.8
240.19571	2.2
269.71838	0.4
276.13614	72.8
277.13889	0.5
278.14999	1.8
289.34903	0.4
311.79428	0.4
320.16223	100.0
321.16611	0.8
332.17062	0.4
337.27423	4.5
394.20059	0.4
401.54755	0.6
594.39233	1.1
612.40314	4.1
638.41931	1.7
656.42963	10.4
657.42462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.9
56.28403	0.6
57.03438	4.5
57.07078	37.7
61.02925	8.7
67.05509	9.8
69.03432	1.1
69.07063	7.2
70.65380	1.6
70.65714	1.1
71.08634	31.1
72.53587	0.7
73.02914	2.6
74.59602	0.6
75.04469	2.3
79.05502	1.1
81.03408	0.9
81.07061	11.8
83.08623	10.0
85.02899	9.7
85.10183	18.4
86.88136	0.6
87.95942	0.7
89.06033	1.5
91.03957	7.9
93.07059	1.5
95.08607	21.5
97.02897	3.3
97.10183	5.6
99.11743	1.3
105.06984	0.8
109.10153	9.9
111.11739	1.0
123.11721	5.0
125.13227	0.9
127.03920	2.6
128.49045	0.8
137.13289	1.5
145.04932	4.2
151.14786	1.0
163.06018	5.9
221.22636	1.3
239.23705	24.6
257.24765	4.6
313.27377	100.0
314.27725	1.1
331.28436	19.5
456.27789	0.7
457.31964	0.7
475.32697	2.9
678.59161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01871	2.8
55.05511	2.2
56.05034	1.8
57.03438	10.6
59.05001	1.3
60.04530	20.4
61.02938	3.2
67.05508	4.2
68.05037	2.3
68.17815	0.7
69.03436	28.1
69.03815	1.3
69.07072	1.7
69.46001	0.9
69.46407	4.8
70.06593	1.8
71.01353	1.0
71.04993	4.1
72.04518	2.1
73.02923	7.9
74.06048	0.8
79.05505	3.0
80.05010	4.0
80.20617	0.6
81.03431	3.4
81.07049	3.4
82.06573	1.1
83.04997	2.2
84.04521	1.6
85.02914	19.9
86.06087	2.0
87.04476	10.8
90.05579	4.0
91.05497	3.0
93.07052	2.3
94.06584	3.3
95.08624	2.8
96.04497	2.0
96.08134	0.9
97.02904	17.2
97.06529	7.0
98.06070	2.1
99.04470	1.5
102.46834	0.8
103.03950	1.2
105.07026	1.9
106.06553	1.8
107.08634	2.7
108.08103	1.2
109.06638	0.7
109.10186	1.3
110.06067	2.8
111.04483	1.1
114.05544	1.2
115.03947	8.4
119.08645	1.3
120.08122	1.9
121.10152	1.2
122.06022	1.2
124.07632	1.3
127.03940	3.3
132.06573	19.3
133.04976	4.3
133.10191	1.0
136.07648	0.9
142.08568	0.9
145.04955	1.5
195.01096	0.8
202.84612	0.8
211.17029	1.6
220.17009	1.5
224.20131	2.3
237.18549	3.8
244.20540	0.9
248.20261	2.0
250.21736	1.1
260.20132	13.1
261.10123	0.7
262.21646	4.8
266.21146	5.0
272.20108	7.0
274.21738	1.0
278.21277	2.7
290.21161	18.2
290.24185	1.2
291.21616	0.9
292.22598	1.0
308.22128	9.9
326.23273	16.6
344.24332	29.8
344.28488	1.6
346.25952	1.1
362.25388	54.4
363.25790	1.2
386.25354	1.7
471.45807	0.8
476.28564	1.1
494.29953	3.0
506.29507	4.2
524.30695	43.6
566.31451	1.2
638.34033	4.4
656.34888	100.0
657.35095	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	655.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35265	2.4
51.17509	2.3
53.03931	9.7
55.01864	11.2
55.05518	33.4
57.03421	9.8
59.04988	4.6
61.02932	35.5
65.03925	5.7
67.05177	4.8
67.05508	63.1
69.03411	11.1
69.07069	37.4
69.76261	4.5
69.76681	11.9
71.04987	6.9
73.02926	12.9
77.43742	2.4
79.05066	3.3
79.05502	57.9
81.03442	16.7
81.07062	76.9
83.04966	6.2
83.08627	24.7
85.02914	33.9
85.06522	8.1
86.09724	2.8
91.03960	15.9
91.05489	80.6
93.07047	64.2
95.04981	15.2
95.08614	43.3
97.02897	24.7
97.06522	17.1
97.10171	7.6
98.21490	2.5
98.21789	2.0
98.97582	4.0
99.04440	3.0
99.08092	3.0
103.05469	5.9
105.07036	64.9
106.54376	2.3
107.04958	12.1
107.08597	28.4
108.05147	2.1
109.02879	2.9
109.06504	8.5
109.10149	17.3
111.04446	2.4
111.08064	11.1
113.14217	2.2
115.03883	2.6
115.05432	7.9
116.06255	2.9
117.06221	3.2
117.07030	48.1
119.04981	2.5
119.08584	35.6
121.06489	10.2
121.07281	2.3
121.10113	18.7
123.08075	9.0
123.11658	3.2
125.09612	6.5
127.03909	5.6
128.06227	18.4
129.07008	59.6
131.00197	2.9
131.08574	75.2
133.06470	10.6
133.10115	23.3
135.08032	11.2
135.11691	11.6
137.09682	3.3
141.06979	26.1
142.07756	8.0
143.08562	57.9
145.06479	12.3
145.10132	37.7
147.08038	10.8
147.11662	14.1
149.01178	3.1
149.09613	15.9
149.13222	3.9
151.11230	4.0
153.07008	4.3
155.06052	3.2
155.08560	43.4
156.09282	3.0
157.06522	6.1
157.10139	31.4
159.08032	9.2
159.11693	22.4
161.09598	8.8
161.13263	3.2
163.11153	6.3
165.06985	8.3
165.12767	2.9
167.08594	23.2
169.10138	27.9
171.08038	4.9
171.11711	23.1
173.09615	9.8
173.13220	5.2
175.11203	9.6
177.12772	12.1
179.08551	10.1
180.09311	5.7
181.10138	24.4
183.08023	3.6
183.11707	12.3
185.09637	7.1
185.13257	15.0
187.11127	6.6
187.14812	4.0
189.12787	2.8
191.10689	4.1
193.10146	8.7
193.12209	5.5
195.11697	25.9
197.09624	4.8
197.13249	15.9
199.11235	5.6
199.14780	5.9
201.12729	5.6
203.10510	3.3
203.14275	3.7
205.10104	2.9
206.10846	2.8
207.11716	8.4
207.13615	2.8
209.13319	12.7
211.11166	6.0
211.14795	10.6
213.12967	4.5
213.16402	3.5
215.14365	5.5
219.11800	3.8
219.13834	3.8
221.13304	15.9
221.15115	3.6
223.14890	18.0
224.08139	3.5
225.12848	5.7
225.16403	4.0
227.14465	6.1
229.15860	4.3
233.13106	2.8
235.14757	9.7
237.16255	2.8
239.14374	12.3
241.15886	8.5
243.13776	3.5
247.14702	3.8
247.16942	2.9
249.16454	5.5
250.24240	2.4
251.14328	4.4
253.15955	6.9
257.15454	7.3
259.17065	3.7
267.17554	4.0
271.16965	6.8
275.20023	3.5
285.18555	5.4
289.17981	2.8
295.00903	2.9
307.19064	10.1
315.21124	6.0
323.23843	12.3
333.22061	34.2
341.24643	18.0
347.15329	5.8
351.23206	100.0
355.15390	3.7
355.26251	3.8
365.15762	4.1
365.24780	8.0
365.65784	2.7
369.24265	57.1
381.16895	3.4
383.25882	18.4
387.25229	16.8
401.26852	46.8
419.27542	3.1
425.26559	7.0
443.27975	48.5
457.29340	5.5
461.28952	15.4
475.30603	97.6
493.31656	30.4
655.38843	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	655.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03941	4.1
55.01870	3.6
55.05517	21.9
56.96555	1.9
57.03429	5.2
59.05001	1.7
61.02932	15.3
65.03949	2.4
67.05176	2.0
67.05512	36.7
69.03424	4.9
69.06723	1.5
69.07073	19.6
69.24861	12.8
71.04999	3.4
73.02914	5.4
73.73708	1.4
79.05502	33.5
81.03397	5.8
81.07063	40.0
83.04962	4.1
83.08616	15.1
85.02914	12.6
85.06535	5.9
86.30949	1.6
91.03970	7.1
91.05488	44.5
93.07059	32.6
95.04974	6.0
95.08614	26.3
97.02909	8.4
97.06554	7.5
97.10162	3.9
99.04466	1.7
99.08114	1.7
101.06030	1.5
103.05430	3.0
105.07040	35.6
107.04948	4.7
107.08601	17.4
109.06501	6.2
109.10142	8.2
109.36426	1.5
111.08051	5.6
115.05487	6.7
117.07025	31.1
119.04931	2.5
119.08585	19.4
121.06536	7.6
121.10155	10.0
123.08061	4.3
125.00138	1.4
125.09630	2.3
127.03905	1.8
128.06233	7.9
129.07014	37.7
131.08577	48.2
133.06488	6.0
133.10117	12.4
135.08044	5.4
135.11684	5.3
137.09573	1.6
141.06998	17.0
142.07838	3.2
143.08571	38.7
145.06488	7.2
145.10126	17.2
147.08047	4.1
147.11664	6.0
149.01228	1.8
149.09610	5.8
151.11137	2.5
153.06970	3.5
154.07732	2.7
155.08568	32.4
157.06485	2.4
157.10146	22.7
159.08055	6.2
159.11693	16.5
161.09618	3.8
161.13240	3.3
163.11151	4.0
165.07016	3.8
165.12807	1.7
166.07811	2.7
167.08591	12.3
169.10100	15.9
171.08083	3.3
171.11685	11.8
173.09647	4.0
173.13219	4.6
175.11226	4.5
177.12747	4.7
178.07870	1.9
179.08577	6.4
180.09351	2.2
181.10155	14.2
183.08090	1.6
183.11720	10.2
185.09662	3.4
185.13277	6.0
187.11205	3.4
187.14809	2.7
189.12724	1.7
193.10159	5.7
193.12241	1.8
194.10884	1.6
195.11697	16.9
197.13275	8.4
199.11288	1.9
199.14821	3.9
205.10188	1.9
205.12167	2.7
207.11693	6.3
207.13524	1.3
209.13283	10.4
211.11252	1.7
211.14861	5.1
213.12744	4.7
213.16393	2.3
215.14386	3.8
219.11748	1.5
221.13271	11.4
223.14935	13.0
225.12807	3.3
225.16467	2.0
227.14412	2.9
229.14349	3.9
233.13190	2.3
233.15407	1.8
235.14874	8.2
237.16432	2.5
239.14305	5.6
241.15968	3.1
244.09239	1.4
245.15535	2.1
247.17033	6.9
249.16469	1.7
253.15828	6.0
256.57483	1.4
257.15359	3.6
259.17090	1.5
261.15045	1.6
269.15259	2.4
271.16980	7.5
273.18683	2.4
285.18472	3.3
286.98871	2.0
305.22629	2.3
315.21286	2.5
323.23624	6.4
329.25775	1.5
333.22134	20.6
341.24817	5.1
351.23212	57.9
365.24728	4.8
365.65686	2.3
369.24237	34.5
383.25815	9.4
387.25330	6.3
401.26880	55.4
419.27753	2.6
425.26758	1.8
443.28064	14.4
461.29291	2.9
475.30579	100.0
477.26938	1.9
493.31659	14.0
634.04816	1.6
655.36218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97771	0.3
60.51111	0.3
69.21383	0.3
70.69045	0.8
75.04465	0.4
79.05499	0.3
81.07049	0.3
91.05463	0.3
248.39027	0.3
377.17847	0.5
390.18604	0.4
391.19473	1.0
392.19693	0.7
405.16296	1.6
405.21634	0.6
406.17398	0.4
406.22110	0.5
407.22473	3.5
418.17261	0.5
418.22244	0.4
419.18204	2.3
420.19058	1.4
421.20251	0.8
432.19571	0.4
433.15546	0.5
433.20569	4.0
433.24454	0.3
434.21198	3.3
435.21909	7.5
435.27890	0.4
436.22589	0.5
447.17923	1.4
447.22296	1.4
448.18292	0.5
448.23441	0.7
449.19458	1.7
459.21719	0.3
461.18774	1.6
462.20432	4.6
463.21143	3.6
464.22189	0.4
465.23248	0.4
475.21411	1.5
476.22079	0.8
477.22858	1.4
478.23972	0.3
479.20895	0.4
489.22845	0.8
493.22534	1.2
495.24045	1.0
507.24457	0.5
508.24554	1.5
509.25452	1.1
521.25720	10.7
522.26160	0.4
535.24768	0.3
547.27692	0.5
549.25018	15.8
553.24426	0.8
563.26685	3.0
564.27142	0.8
567.29266	0.4
577.24585	0.6
581.27539	2.8
595.29297	9.8
607.28772	0.6
609.27118	11.8
609.36975	0.7
623.28638	1.3
625.30939	0.4
655.31268	100.0
656.31616	2.3
669.87866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2766
Annotation	Karajinone A
Peak:m/z	Relative Intensity
52.11694	1.2
52.91708	1.1
55.05516	1.9
65.39111	1.2
67.05518	1.3
70.62716	3.6
81.07059	1.6
83.04985	6.3
89.14507	1.3
91.05452	1.7
93.07049	1.4
175.01559	3.4
181.02605	4.9
209.11540	2.9
222.11597	1.5
223.12285	3.3
227.04691	1.9
237.13916	5.3
238.14680	2.5
239.80371	1.6
249.13933	1.8
251.15459	3.9
253.17007	2.0
259.89725	1.2
261.14020	5.9
279.14938	3.2
285.12836	1.4
288.14914	1.3
313.12088	2.5
326.67950	1.4
366.18781	1.6
367.19089	2.8
377.17563	3.0
379.19662	2.1
391.19421	2.3
394.17969	3.0
395.18661	3.3
396.19885	1.5
405.16812	2.6
405.21716	1.4
407.18631	3.2
409.20346	1.8
420.19522	1.9
421.20547	1.8
435.17786	2.2
437.19830	2.4
438.21182	1.8
449.19550	2.3
465.18781	5.9
469.26068	3.6
477.19339	2.1
479.24637	3.1
483.20557	1.7
497.25391	7.7
507.23758	3.9
508.21216	2.2
509.21738	1.6
510.22644	4.1
514.25977	4.9
524.23792	1.6
525.24841	8.9
529.28046	6.9
535.23322	3.1
542.25238	2.9
543.19702	1.8
552.24292	1.8
553.24213	4.2
557.27356	3.9
563.22711	3.6
567.25989	5.5
581.23706	4.1
585.27014	16.1
595.25562	84.8
596.25616	2.4
599.25256	5.7
613.26636	100.0
614.26984	2.1
655.26917	10.0
655.41968	2.8
666.63904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
57.03426	0.7
67.05508	4.6
69.07048	2.0
71.57460	0.8
79.05499	4.4
81.07058	5.3
82.06548	1.5
83.04967	0.4
83.08591	1.1
84.66882	0.5
91.05495	2.4
93.07046	5.6
94.06549	0.9
95.04937	0.5
95.07327	0.6
95.08619	4.2
96.08124	0.7
105.07001	1.4
106.06570	2.1
107.07338	5.7
107.08554	3.1
108.08120	5.0
109.10153	1.3
110.09669	0.9
117.06989	0.5
119.02592	0.4
119.08569	1.5
120.08078	0.5
121.08872	0.9
121.10123	1.0
122.09636	2.0
123.11731	0.5
124.11214	2.2
125.00034	0.8
133.10120	0.7
134.09648	6.9
135.10443	28.9
135.11612	2.6
136.11227	3.2
137.11955	0.9
148.11191	1.7
149.12024	2.6
150.12759	3.6
151.13557	0.5
152.14363	3.0
167.09404	2.5
176.14380	1.1
178.15916	50.3
180.15921	0.9
180.17479	15.2
196.16911	3.5
222.08875	1.8
222.18542	5.9
240.19580	2.2
241.05527	0.5
276.13608	74.6
278.15213	2.0
286.86905	0.5
287.91852	0.5
299.25482	0.5
320.16223	100.0
321.16550	0.8
335.25864	4.8
592.37946	0.5
610.38843	5.0
636.40045	1.6
654.41302	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	654.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	28.6
61.75528	0.9
67.05480	2.3
69.07074	3.3
71.95261	3.4
72.96058	2.2
79.05475	2.1
81.03403	1.2
81.07038	1.5
93.07072	1.7
97.06539	0.9
97.96819	1.3
98.20728	2.6
98.97578	1.5
105.06986	0.9
110.97569	6.4
115.00690	1.3
123.01237	1.7
128.98619	6.4
129.02208	1.0
131.00162	1.0
137.02756	1.4
143.00163	1.0
146.99675	4.4
153.02255	1.5
155.03775	1.5
165.02190	1.5
171.03227	4.5
181.05249	1.9
183.03336	1.2
185.04784	4.9
187.06454	2.0
189.04353	3.0
199.06401	10.2
201.04256	1.4
203.05916	4.1
205.01813	1.7
205.07491	5.3
207.07086	1.2
211.06406	4.0
213.08011	4.1
215.05801	1.2
217.07481	10.1
221.08621	1.2
223.02803	3.8
223.08505	3.0
225.08022	4.4
227.09506	1.8
229.07481	4.9
231.09105	2.9
233.08498	1.2
237.04327	2.7
237.07970	5.0
239.09575	4.5
243.09097	3.0
245.10631	1.9
247.08444	1.5
249.07930	1.4
251.09508	6.1
253.11111	3.7
255.09070	26.3
257.10641	1.1
262.08731	1.6
265.07382	1.1
267.09033	11.9
269.10608	20.3
273.10025	10.4
277.10895	1.8
278.10739	3.4
279.08954	2.2
280.09909	8.8
281.10632	1.9
285.10184	11.4
287.11749	6.1
289.10840	1.2
291.12656	5.1
292.12265	3.6
296.11465	1.4
297.10101	1.1
298.10812	2.2
303.11343	1.8
303.16568	1.3
307.12030	1.4
308.11569	1.6
309.13815	6.2
321.17520	1.4
327.14456	0.9
331.15805	29.4
332.15463	1.5
349.16882	100.0
350.17258	1.5
367.17935	57.4
368.18350	1.4
372.18503	8.3
390.19528	15.5
391.19763	1.1
556.29584	2.2
585.65454	0.9
636.35040	1.1
654.36542	8.5
654.46008	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	654.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69876	0.6
51.05943	0.7
55.01871	1.8
55.05510	1.3
56.05030	1.5
57.03435	7.9
58.74517	0.6
60.04527	17.6
61.02914	1.9
65.79912	0.6
66.92397	0.8
67.05509	4.0
68.05014	1.5
69.03431	5.8
69.07062	1.8
69.70672	3.8
70.06599	2.0
71.05001	3.6
71.05328	0.8
72.04510	1.4
73.02919	17.3
74.06059	0.7
79.05495	2.5
80.05020	4.5
81.03422	1.6
81.07069	4.7
82.06582	1.7
83.05004	0.8
84.04501	1.5
84.08146	1.2
85.02915	4.8
86.06052	1.5
87.04475	1.6
90.05550	2.2
91.05503	1.9
93.07047	2.9
94.06583	4.1
95.04937	1.1
95.08595	2.6
96.04493	1.6
96.08131	1.0
97.02895	9.3
97.06534	6.6
98.06075	1.7
98.20808	1.0
101.02389	0.7
102.05544	1.1
102.65295	0.7
105.07040	1.7
106.06569	1.5
107.08595	2.9
108.08153	1.4
109.10172	1.2
110.06072	2.3
111.08099	1.3
113.02351	2.2
114.05579	1.8
115.03954	2.7
116.07104	0.9
119.08627	1.7
120.08140	1.6
121.10133	1.0
123.08059	1.7
124.07596	0.9
132.06573	16.3
133.10187	1.2
134.09660	1.0
135.11737	0.9
136.07588	1.2
139.03999	0.7
143.03412	0.8
145.10051	0.8
147.04489	1.1
159.11716	0.9
161.04510	1.7
175.14801	1.2
202.16113	0.7
211.16994	2.8
218.15411	1.2
220.16939	0.8
224.20169	2.4
234.18573	0.9
237.18564	3.4
238.21707	0.9
248.20209	2.8
252.19658	1.2
260.20129	9.7
262.21652	4.3
266.21164	4.1
272.20099	7.5
278.21240	2.8
290.21161	14.3
292.22797	0.8
308.22278	7.8
326.23260	16.8
326.26910	1.3
328.24884	0.9
344.24390	11.8
346.25946	2.2
354.22736	1.1
362.25394	6.1
372.23743	1.7
382.51825	0.7
468.86505	0.8
486.26892	1.5
504.28110	5.4
522.29095	33.3
636.32434	6.9
654.33319	100.0
655.33276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
53.84710	0.3
55.01871	1.1
55.05519	2.2
56.05033	1.4
57.03440	8.4
58.06593	0.6
60.04529	19.0
61.02937	1.7
67.05516	3.4
68.05022	2.0
69.03431	6.6
69.07077	1.2
70.06598	1.6
71.01360	1.3
71.04990	1.3
71.56916	0.5
72.04508	2.4
73.02921	16.8
74.06091	0.7
79.05499	2.4
80.05013	5.2
81.03427	1.0
81.07069	4.0
81.21138	0.3
82.06582	1.7
83.04984	1.2
83.08608	0.4
84.04517	1.2
84.08154	0.7
85.02914	5.1
85.06547	1.5
86.06073	1.5
86.09718	0.4
87.04488	1.6
90.05557	4.2
91.05487	2.2
92.05021	0.6
93.07046	2.8
94.06573	4.0
95.04961	0.9
95.08617	3.7
95.17023	0.4
96.04521	1.9
96.08121	0.8
97.02895	10.0
97.06524	1.7
98.06064	2.1
98.97623	0.4
100.07644	0.4
101.02404	1.4
102.05540	0.6
105.07044	1.6
105.64901	0.3
106.06584	1.4
107.04946	0.4
107.08603	1.5
108.08134	1.2
109.06530	0.8
109.10171	1.3
110.06053	3.2
110.09694	0.5
111.08069	2.4
113.02367	1.7
114.05565	1.3
115.03911	2.6
115.23313	0.4
116.07118	0.6
117.07041	0.5
118.58858	0.4
119.08583	1.1
120.08135	1.0
121.10164	1.3
122.06051	1.5
123.08101	0.5
124.07597	0.7
125.02390	0.8
127.03954	0.5
129.06958	0.4
131.08578	0.9
132.06567	18.9
132.08150	0.8
133.10161	0.8
134.09721	0.8
135.11761	0.9
136.07610	0.9
137.06036	0.5
138.12740	0.4
142.08716	0.4
143.03468	0.6
147.11734	0.6
150.09175	0.8
161.04485	1.4
165.12761	0.6
174.12848	0.6
176.10713	0.4
176.14397	0.4
179.14436	0.7
190.15810	0.4
193.15889	0.6
195.17696	0.5
204.13858	1.1
206.15446	0.5
208.17035	0.6
210.18587	0.8
211.17030	1.5
222.18547	0.5
224.20148	1.5
232.16988	1.1
234.14870	0.8
234.18629	0.8
237.18538	3.8
238.21933	0.4
242.19014	0.5
244.16957	0.7
244.20723	0.6
248.20158	1.3
250.21683	1.0
252.19659	1.4
260.20102	8.8
262.18137	1.2
262.21652	3.1
265.02203	0.4
266.21140	5.0
272.20090	5.9
274.21765	0.4
278.21155	3.6
280.22562	0.4
284.22314	0.5
290.21170	14.2
292.22803	0.5
298.20590	0.7
308.22256	8.3
312.21658	0.4
324.21783	0.5
326.23260	12.4
328.24731	0.5
336.21744	1.0
344.24310	10.2
346.25952	1.1
354.22766	1.6
362.25381	9.4
372.23822	2.4
386.25415	0.8
390.24908	1.7
451.06146	0.4
486.27026	1.1
504.28088	4.5
522.29120	35.2
523.29388	0.5
618.31378	0.5
636.32288	5.0
654.33325	100.0
655.33624	1.4
666.43958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55465	0.6
53.03928	1.9
54.32669	0.7
55.01862	2.5
55.05508	1.4
56.05026	0.9
56.96566	0.7
57.03439	3.3
57.67723	0.6
58.87315	0.7
60.04519	1.8
61.02927	4.6
65.03980	0.7
67.05492	2.4
67.77493	0.6
68.77245	0.6
68.93655	0.6
69.03431	11.4
69.06722	0.8
69.07071	11.9
69.84111	3.4
70.06594	3.3
71.01359	0.8
71.04984	1.9
73.02904	2.5
79.05501	4.0
79.75768	0.6
79.92617	0.7
80.05016	1.1
81.03422	5.5
81.07062	5.6
83.01346	5.9
83.04990	1.0
84.08132	2.3
85.02905	40.4
86.06064	0.8
86.09690	1.3
87.04465	0.8
90.67075	0.7
91.03943	2.0
91.05487	5.3
93.07027	1.5
94.06565	1.2
95.04931	1.3
95.08592	1.7
97.02893	15.5
97.06520	3.5
97.10124	1.0
98.20840	1.2
99.04449	2.1
103.47037	0.7
105.07047	3.7
107.04299	0.9
107.04967	11.6
107.08563	1.1
109.02898	4.6
109.05782	1.3
109.06515	18.8
109.10154	1.9
110.39593	0.7
111.04407	0.9
115.03934	1.1
119.04941	5.6
119.08543	1.1
120.08106	1.1
121.02863	0.7
121.05664	1.1
121.06512	19.1
121.10146	1.4
123.04441	4.1
123.08055	1.0
127.03916	8.6
131.00169	1.2
131.04999	0.9
133.06493	32.4
133.10081	1.5
135.04427	4.6
135.08061	1.9
137.05981	60.9
145.04961	14.3
145.06253	1.0
145.06503	0.8
145.10069	0.8
147.04407	23.7
147.08034	2.9
147.11755	1.0
149.01231	0.9
149.05983	4.3
149.13303	0.8
151.07523	1.2
153.73822	0.6
155.07079	1.5
157.06543	0.8
161.05968	3.7
161.13292	0.7
163.03909	2.3
163.06047	3.3
163.07530	5.7
173.02249	0.7
173.05965	1.1
175.07515	2.1
177.05431	0.7
179.07008	2.3
179.14410	0.8
187.07480	1.1
189.09055	0.7
199.07530	0.7
203.07045	2.5
215.07016	1.8
224.08063	0.8
245.08171	1.6
251.10732	0.7
252.09464	1.0
257.11725	100.0
259.09628	3.7
263.08966	1.3
267.09262	0.7
269.11719	2.0
281.11652	3.2
283.27133	0.8
292.22849	1.5
295.13385	1.4
299.12921	4.6
299.15771	0.8
305.10797	1.4
309.24045	1.7
310.23911	0.7
313.17975	59.5
323.12744	4.5
323.16342	1.5
324.10309	1.3
325.17963	4.5
327.25391	1.3
328.24817	7.5
330.26465	0.8
333.11676	2.3
337.17960	1.9
346.25842	4.2
347.12885	1.4
353.13956	1.6
355.19107	1.1
365.13748	2.0
370.67010	0.8
379.18936	3.6
383.14862	3.6
401.15869	3.0
403.19193	0.8
420.13474	1.1
421.20245	1.8
439.21088	5.4
456.26715	0.9
474.22034	1.3
474.28552	16.8
492.29773	1.0
504.13583	1.4
508.30948	1.8
534.14252	0.9
549.46533	0.8
558.14734	1.6
636.33527	4.1
654.34760	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57544	0.7
53.03938	2.2
55.01888	3.2
55.05513	1.4
57.01707	0.6
57.03437	4.0
61.02928	4.4
66.30775	0.7
67.05484	2.4
69.03437	9.2
69.07072	19.2
69.96468	1.7
69.96859	1.5
70.06582	1.1
70.67705	0.6
71.01357	1.3
71.04979	1.7
73.02902	1.7
77.03937	0.7
79.05503	3.1
79.28373	0.6
81.03429	5.6
81.07069	2.1
83.01395	0.6
83.04984	0.8
84.04471	0.6
84.87931	0.5
85.02909	46.6
87.04426	1.7
91.03938	2.6
91.05008	0.8
91.05486	5.7
93.07053	11.0
95.04974	1.6
95.08607	1.2
97.02897	14.1
97.06537	1.2
98.97603	0.9
99.04445	2.4
103.03911	0.7
103.05467	0.9
105.07021	1.7
107.04967	4.0
107.08589	1.6
109.02888	4.0
109.06531	1.2
109.09303	0.6
109.10153	1.6
111.04494	1.0
119.08587	1.8
120.08122	1.1
121.06513	79.1
123.04439	17.4
125.05989	0.8
127.03928	9.9
129.06984	1.0
133.06482	1.8
135.08055	1.9
137.05983	10.0
145.04967	19.1
145.06444	3.5
147.04436	2.4
147.08052	12.1
147.11703	1.0
149.05942	1.1
151.07478	1.5
157.06628	0.9
159.08083	1.7
161.06006	1.6
163.06029	8.0
163.07422	1.4
163.11179	0.8
169.06468	1.0
171.08046	1.0
173.09641	1.0
175.07594	1.0
175.11197	3.1
180.08723	0.9
183.08128	1.8
185.09630	2.6
187.07579	2.1
187.11156	8.3
189.12726	0.8
197.09622	0.9
201.12793	1.6
211.07562	1.4
211.11185	10.1
213.09132	1.1
221.09624	1.4
229.14369	1.5
239.10707	6.8
255.01190	0.8
257.11737	100.0
258.12018	1.2
267.16003	1.4
271.13251	0.8
281.11765	7.8
295.13394	3.4
313.17981	55.0
314.18460	0.7
323.12766	5.1
323.16342	1.5
325.17908	0.9
337.14297	0.8
337.17947	2.5
347.12753	2.9
365.13947	1.5
379.19040	2.8
383.14880	2.2
403.19064	2.3
421.20139	2.2
421.25754	1.8
449.17825	0.8
493.46176	0.7
504.13684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.6
55.05520	13.1
61.96503	6.1
67.05488	19.8
69.07059	13.0
70.57968	5.7
70.86909	8.8
70.87228	8.7
79.05492	19.0
80.98000	5.4
81.07051	19.8
82.59171	6.0
91.05468	17.9
93.07044	17.9
95.04984	7.4
95.08584	9.1
97.10139	8.0
109.06519	6.2
109.10155	6.8
111.08044	7.9
115.10537	5.2
120.12822	5.7
131.08534	6.7
137.09657	5.9
163.23994	6.2
181.04901	5.7
183.00562	5.9
225.08882	100.0
225.98798	6.4
243.27744	5.5
250.94118	6.5
275.20032	10.7
276.20532	6.8
293.20926	6.6
294.21338	6.2
307.23117	6.5
308.23120	7.0
369.13107	33.8
377.19308	10.5
395.18134	16.0
427.13651	32.9
428.48059	6.4
653.40552	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.156
Annotation	Malonylapiin
Peak:m/z	Relative Intensity
55.05510	0.1
57.03428	0.4
65.03954	0.1
67.01871	0.4
67.05506	0.1
68.99820	0.3
69.03075	0.1
69.03429	1.3
70.06567	0.2
71.56931	0.1
72.08159	0.1
79.05507	0.1
81.03409	0.4
81.07060	0.1
83.04961	0.1
84.04517	0.1
85.02905	1.3
86.09701	0.1
87.00819	0.3
87.04462	0.6
91.05478	0.3
93.07034	0.1
97.02891	1.1
97.06551	0.1
98.97607	0.1
99.04440	0.1
105.01854	0.2
109.02886	0.5
111.04472	0.1
115.03946	0.7
119.04941	1.4
121.02861	0.5
125.02328	0.1
127.03915	0.9
129.01828	0.2
129.05489	0.1
131.04857	0.1
133.04947	0.4
137.05994	0.2
138.03212	0.1
145.02817	0.6
145.04933	0.3
147.04408	0.1
153.01837	4.0
159.02873	0.2
163.03935	0.5
171.02927	0.4
187.03915	0.2
189.04059	0.1
197.06021	0.1
203.07030	0.1
215.05389	0.1
225.05469	0.3
229.04945	0.2
231.04971	0.2
239.73462	0.1
243.06572	0.3
247.06085	0.2
253.04994	0.1
259.09958	0.1
271.06009	100.0
272.06326	1.1
274.05307	0.1
313.07104	0.2
332.69162	0.1
345.07965	0.1
433.11191	0.4
475.12192	0.2
501.12097	0.4
519.03998	0.1
519.11438	2.4
531.12750	0.2
565.15466	0.4
586.95929	0.1
633.15326	0.1
651.15540	1.4
669.07288	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	650.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01864	5.1
55.05507	23.5
57.03425	3.2
57.07051	4.7
67.05508	58.2
69.07072	29.8
69.23853	9.6
69.24265	27.8
70.06593	18.3
71.04977	3.7
79.05061	6.6
79.05492	70.5
81.03403	4.9
81.07059	62.7
83.04974	5.6
83.08602	11.6
91.05478	43.8
93.06467	7.1
93.07041	100.0
95.04971	8.9
95.08622	47.8
97.06540	6.3
97.10155	15.3
98.21505	9.6
99.08085	4.8
105.07030	32.0
107.08607	49.0
109.06518	8.5
109.10176	21.4
111.08102	5.9
116.07083	30.2
117.07012	10.8
119.08565	27.1
121.06483	4.3
121.10146	56.5
123.08097	6.0
129.06999	5.4
131.08577	17.2
133.10126	29.6
135.08063	6.0
135.11699	40.7
137.52432	4.0
139.11163	6.2
143.08611	6.8
143.17166	3.5
145.10110	14.7
147.11687	12.8
149.09677	6.0
149.13277	24.5
151.11237	4.9
157.10141	8.5
159.11684	14.6
161.13263	10.7
163.11209	5.3
163.14783	7.5
171.11690	8.7
173.13173	6.7
175.14751	7.2
177.12737	3.8
177.16443	4.7
185.13263	6.9
193.12236	10.5
197.13179	4.4
199.14842	6.0
209.15088	3.9
221.15359	4.7
227.16394	5.5
241.19365	7.3
251.28128	3.4
259.20639	5.6
275.20056	8.9
277.21643	4.9
291.23190	78.5
305.17334	10.8
337.19885	7.9
446.20679	4.4
548.27081	7.8
590.28229	9.5
597.45074	4.7
650.30457	75.4
666.76440	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	647.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.3
60.96310	0.3
61.02916	0.3
67.05494	0.6
69.03443	0.6
70.06584	1.7
71.57162	0.4
71.74610	0.3
73.02939	0.4
75.18064	0.3
79.05488	0.6
79.83828	0.3
81.03432	0.6
81.07059	0.4
84.08148	0.7
85.02907	0.9
86.09711	0.7
91.03984	0.3
91.05474	1.0
93.07045	0.7
96.08169	0.4
97.02893	0.4
97.06560	0.6
97.08945	0.3
98.97588	1.1
105.07009	0.5
107.08604	0.4
110.97603	0.3
116.98658	0.3
119.04963	1.1
119.28325	0.4
121.10181	0.3
131.00182	0.4
133.10150	0.5
135.08090	0.4
137.06021	0.6
142.76346	0.3
147.04427	3.1
149.01189	0.4
160.07512	0.3
162.49625	0.3
163.11244	0.4
185.04161	0.4
203.05334	0.9
224.62320	0.3
237.02763	0.3
249.11119	2.0
251.58852	0.5
259.07886	1.9
267.08679	0.4
269.17648	0.3
287.18378	0.4
305.13809	0.5
321.04929	0.7
323.14648	6.1
327.26459	2.6
332.11267	0.7
332.61472	0.5
334.10822	0.4
347.09549	1.2
349.13419	0.6
365.10522	2.3
421.13205	1.6
457.20209	0.6
473.30191	1.2
485.19958	29.3
523.58264	0.3
629.30725	0.8
646.33862	0.4
647.25195	100.0
648.25049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67693	0.8
55.05502	0.9
56.96550	1.2
58.71403	0.8
67.05509	5.8
69.07056	1.9
70.06591	1.2
71.56432	1.1
78.17539	0.8
79.05476	3.2
80.05042	1.1
81.03417	1.0
81.07042	1.9
82.06568	1.6
83.04985	0.9
85.02879	1.1
91.05479	3.5
93.05808	1.2
93.07047	5.6
94.06573	9.9
95.04956	1.6
95.07366	6.2
95.08606	2.6
95.77583	0.9
96.08134	12.6
97.02873	1.0
97.06503	3.0
97.82354	1.0
105.06939	1.0
107.08611	1.9
108.04479	2.4
108.08120	8.9
110.09691	25.3
118.89421	0.8
120.08110	18.6
122.06030	10.8
124.07613	2.2
124.71163	0.8
132.04443	1.1
133.10127	1.4
134.05946	1.0
136.07565	9.1
138.08118	1.9
138.09146	27.6
146.06035	1.1
147.04401	1.5
147.42831	1.0
148.07578	5.1
150.09149	2.5
152.07056	4.3
156.58081	0.9
160.03946	7.3
164.07062	3.8
166.08647	32.6
172.03949	2.6
178.05083	1.1
190.04988	2.1
192.06598	1.1
192.79814	0.9
197.10796	1.3
199.08656	2.2
204.06517	3.6
210.11440	1.8
211.08730	4.2
211.12273	2.3
212.09549	1.2
213.10204	3.1
222.11478	2.2
223.08711	4.3
223.12273	2.1
225.10246	14.0
225.13791	1.3
226.10989	6.8
227.11794	4.5
235.08583	2.7
235.12265	2.5
236.09375	2.1
237.10236	7.8
237.13925	2.9
238.10907	6.0
239.08188	7.6
239.11794	17.0
240.12585	3.9
241.09669	0.9
247.12144	1.5
248.09354	2.3
249.10265	7.1
250.10933	8.1
251.08206	3.2
251.11803	18.3
252.08961	2.3
252.12515	3.6
253.09753	5.3
253.13411	10.5
254.10532	11.5
255.11313	1.3
255.14961	1.1
262.11017	1.2
263.11771	12.9
264.08789	1.8
264.12610	6.4
265.09732	5.7
265.13336	19.6
266.10455	2.2
267.11285	8.8
267.14832	2.6
268.12030	1.4
269.12595	1.6
271.10800	2.9
271.14310	1.3
277.09787	2.9
277.13351	1.0
278.10587	1.9
278.20114	0.9
279.11313	10.7
280.11993	1.9
281.12894	11.7
282.13690	3.0
283.10837	5.9
283.13965	6.1
284.11639	2.8
285.12384	12.2
286.12918	2.7
291.11349	3.5
293.09821	1.3
293.12894	7.9
294.13763	1.6
295.10739	4.2
295.13971	1.8
296.11569	6.2
297.12296	9.7
298.13113	2.2
299.13934	14.9
309.12354	62.8
310.13089	3.0
311.13889	22.7
313.11713	1.4
314.13019	1.2
319.10699	2.2
321.12253	5.9
323.10205	1.4
324.10947	1.1
325.11929	4.5
326.12579	1.2
327.13406	100.0
328.13815	2.5
337.11819	13.8
338.12497	4.8
339.13416	10.7
341.14990	6.0
344.13757	1.4
357.14615	3.3
358.15179	2.5
359.16052	13.1
369.14481	36.1
370.15256	1.6
371.16049	31.8
374.15286	1.6
398.50412	0.9
403.12643	1.4
404.19547	4.7
416.19681	5.3
430.17807	4.9
432.19244	14.5
442.17722	1.9
446.20886	1.0
448.18665	35.0
449.19495	1.6
450.20618	1.3
460.18701	43.7
474.20102	3.5
476.18564	1.2
478.19745	1.5
480.21353	48.5
490.19513	4.1
491.19940	1.1
492.21320	92.2
493.21423	2.3
522.21942	3.0
523.22778	3.1
524.23303	2.8
585.26160	1.0
595.25531	4.8
613.26526	12.8
645.28149	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	643.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
58.99853	3.2
67.05492	1.6
69.07072	1.1
70.23528	2.8
71.67106	0.6
72.62006	0.7
77.00904	8.8
79.05474	1.3
81.07052	3.6
91.05447	1.5
91.88380	0.7
93.07063	1.1
95.01933	4.5
95.08640	0.8
97.10148	1.5
98.96819	0.6
103.02430	0.8
105.07028	1.4
109.10165	0.9
117.07031	0.8
119.08586	1.2
131.01941	1.1
133.10138	0.7
141.03973	1.6
145.03452	1.4
145.10118	0.8
153.03984	1.7
155.05510	2.4
157.03426	1.0
159.05034	2.0
164.07607	0.8
167.05521	0.8
169.07109	3.8
171.05023	1.6
173.06567	1.5
175.08272	0.8
177.06062	0.7
177.07610	0.8
181.07091	1.2
183.08656	4.0
185.06609	1.6
187.06656	0.8
187.08098	4.5
191.07655	1.4
195.08675	2.0
197.10272	2.9
199.08173	1.8
201.09711	14.6
201.11502	1.6
202.01875	0.7
203.09247	1.4
205.09128	1.5
205.10843	1.1
207.05069	1.8
207.12308	1.4
209.10222	2.9
211.07977	0.8
211.11810	1.0
213.09718	2.8
215.09331	1.9
215.11299	6.1
219.10713	4.9
221.06569	2.6
221.10104	3.5
223.11830	5.7
224.11557	1.0
225.09763	1.2
225.13286	1.0
227.11252	6.4
229.12871	1.3
233.10214	4.4
233.12375	1.0
235.11885	1.8
237.09767	0.9
237.13403	2.3
238.13036	1.0
239.11278	14.1
241.12816	5.8
243.14438	1.6
245.10231	1.2
246.10501	0.8
247.11864	2.5
249.09747	3.0
251.11276	27.6
253.12862	15.9
255.14404	1.8
257.12320	17.0
257.14929	1.3
261.13333	1.4
262.12778	2.2
263.11328	5.3
263.14804	1.2
264.12177	1.1
265.12787	2.2
267.10809	9.6
267.13864	1.0
267.14496	0.8
269.12360	40.0
271.13892	6.0
273.13370	2.2
273.16757	1.1
274.12869	2.4
275.14850	3.3
276.14404	1.6
277.16574	1.0
279.14331	1.9
281.12390	2.7
283.17624	0.8
286.12918	0.9
290.12292	1.3
291.14337	3.1
291.17957	2.6
292.13931	1.9
293.15915	1.8
297.17081	1.7
305.19687	0.7
309.15372	2.7
309.18817	1.6
313.16516	2.9
315.18054	17.1
316.17844	0.8
333.19974	100.0
337.39859	0.9
343.85239	0.9
351.20154	76.8
352.20520	1.3
356.20599	4.7
371.74133	0.8
374.21765	12.6
400.72574	0.8
405.54510	0.9
433.24371	3.4
447.25894	14.4
463.25488	1.0
487.28888	1.5
527.31927	3.6
545.33398	6.1
643.28418	1.1
643.40247	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	643.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
58.99856	1.3
64.52316	0.4
65.60474	0.3
67.05505	0.6
69.07072	2.9
71.56922	0.7
77.00530	0.4
77.00916	5.9
79.05509	1.9
81.07029	1.5
88.43673	0.4
91.05457	1.6
93.07033	1.0
95.01954	3.2
95.04964	0.4
95.08561	0.7
97.10136	0.6
99.01561	0.3
100.02467	0.4
103.90005	0.4
105.07016	1.6
107.08649	0.7
117.07014	0.6
119.08567	0.7
131.01892	0.8
131.08527	0.8
133.10136	0.6
141.03970	0.6
145.10123	0.4
153.03957	0.5
155.05479	0.4
165.07620	0.6
167.05431	0.4
169.07104	0.5
171.05096	0.5
171.11693	0.4
173.06602	1.0
179.09233	0.8
183.08693	3.0
185.13145	0.5
187.08090	1.6
187.09639	0.7
193.10641	0.4
195.08725	0.7
197.10175	0.8
199.08047	0.5
201.09729	8.7
201.11487	0.7
203.09195	0.8
203.11049	0.4
205.10822	0.6
207.05026	1.9
209.06564	0.5
209.10172	1.5
209.13866	0.5
213.09654	1.7
215.11244	2.0
217.10794	2.2
219.08691	0.8
219.10612	2.8
219.14288	0.4
221.06525	0.8
221.10223	1.3
223.11804	2.9
225.09685	1.1
225.13324	0.6
227.09268	0.4
227.11273	4.8
229.12737	0.5
231.12492	0.8
233.10255	0.8
235.11812	3.6
237.09653	0.5
237.13312	1.1
239.11299	10.9
240.17435	0.4
241.12857	3.0
243.12473	0.6
243.14468	0.8
245.12228	3.0
247.11604	0.8
249.13383	1.3
250.12840	0.7
251.11055	0.6
253.12888	3.8
255.14433	0.6
257.12302	11.1
259.11804	1.4
259.15311	0.5
261.13333	4.8
262.13065	0.8
263.11234	0.8
263.14844	1.6
264.11914	0.5
265.12924	0.6
267.14246	0.7
271.13812	0.6
273.13333	0.7
275.14886	2.4
277.16364	0.5
279.14441	1.0
281.15900	0.7
282.13104	0.7
283.13684	0.9
287.18292	0.4
291.14270	0.7
291.17999	0.7
297.16876	1.6
303.18057	0.5
305.19482	0.5
313.16379	0.7
315.14343	1.0
315.18054	30.8
333.19153	100.0
334.19470	1.6
351.20184	47.8
352.20361	1.0
356.20691	8.0
374.17358	0.5
374.21722	5.2
423.06613	0.4
463.30157	0.6
538.88635	0.4
561.60840	0.5
566.79633	0.4
607.37830	0.6
625.39172	0.9
643.41357	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	643.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06417	0.5
55.05478	1.3
57.03418	0.5
58.99836	1.3
67.05501	2.6
69.07027	1.6
70.10677	1.7
77.00909	6.7
79.05506	2.4
81.03367	0.9
81.07059	3.7
83.08618	1.0
83.44218	0.4
91.05480	3.0
92.13005	0.4
93.07047	2.6
95.01945	3.6
95.04921	0.9
95.08611	2.2
97.97491	0.4
100.02480	0.9
105.07022	2.3
107.04980	0.5
107.08551	1.3
109.06505	2.3
109.10121	1.1
117.06969	0.7
119.08567	2.0
121.10126	1.1
121.23966	0.4
131.01921	2.6
131.08549	0.8
132.02666	0.8
133.10085	1.0
135.08069	0.5
135.11636	0.8
143.08578	0.7
144.02609	1.3
145.03329	0.7
145.10088	1.0
147.11665	1.3
149.04433	0.5
153.04002	0.6
157.10101	0.6
159.11736	0.8
159.45251	0.5
161.13177	0.7
167.05525	1.9
169.03400	1.3
171.04979	0.9
173.06564	1.2
174.03740	0.6
181.07053	0.5
182.04272	0.7
183.04936	0.7
183.08647	0.5
185.06604	15.7
187.08157	1.0
187.73671	0.5
195.11694	0.4
196.05826	0.5
197.06541	0.8
197.10236	0.5
201.09616	2.2
203.07666	3.3
203.09323	0.6
205.09189	0.8
207.05072	1.3
207.08865	0.8
207.12372	1.5
208.08163	1.8
209.06636	0.8
209.10237	1.6
211.08273	0.6
213.09653	1.2
215.11278	1.7
221.06676	0.7
221.10240	0.8
223.08128	1.7
223.11739	2.6
224.08994	0.9
225.06082	0.5
225.09721	1.4
225.13329	12.5
227.11217	2.5
231.10770	0.6
235.08147	0.6
236.09082	0.6
237.13353	1.0
239.11359	2.2
241.09203	3.3
241.12836	2.2
241.19576	0.7
242.09973	1.2
243.14424	43.8
244.11823	0.4
244.14798	0.5
245.10120	1.1
246.13368	0.5
248.14995	2.7
253.12794	1.4
255.14491	0.8
257.12415	2.2
259.20541	0.9
260.10886	0.7
261.15485	6.8
262.12906	0.5
263.11212	4.5
264.12036	2.0
265.12845	1.0
266.15982	3.0
275.19998	1.3
281.12363	9.6
282.13193	2.4
283.13828	1.2
285.51089	0.5
286.12949	0.8
289.16898	0.6
291.14633	1.0
291.17981	1.6
300.14230	0.6
304.13956	0.7
305.14774	0.6
305.19565	0.5
309.15482	1.2
313.16403	0.7
315.18097	3.8
333.19092	29.7
334.19513	0.8
348.27039	0.5
349.18753	0.6
351.20169	100.0
352.20270	2.3
353.20209	1.1
356.20755	0.9
367.24713	0.6
369.21222	0.8
374.21744	19.6
375.22128	0.7
582.93463	0.5
625.38977	3.3
636.15759	0.5
643.40521	43.3
644.40363	1.2
645.56689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
58.99856	1.3
64.52316	0.4
65.60474	0.3
67.05505	0.6
69.07072	2.9
71.56922	0.7
77.00530	0.4
77.00916	5.9
79.05509	1.9
81.07029	1.5
88.43673	0.4
91.05457	1.6
93.07033	1.0
95.01954	3.2
95.04964	0.4
95.08561	0.7
97.10136	0.6
99.01561	0.3
100.02467	0.4
103.90005	0.4
105.07016	1.6
107.08649	0.7
117.07014	0.6
119.08567	0.7
131.01892	0.8
131.08527	0.8
133.10136	0.6
141.03970	0.6
145.10123	0.4
153.03957	0.5
155.05479	0.4
165.07620	0.6
167.05431	0.4
169.07104	0.5
171.05096	0.5
171.11693	0.4
173.06602	1.0
179.09233	0.8
183.08693	3.0
185.13145	0.5
187.08090	1.6
187.09639	0.7
193.10641	0.4
195.08725	0.7
197.10175	0.8
199.08047	0.5
201.09729	8.7
201.11487	0.7
203.09195	0.8
203.11049	0.4
205.10822	0.6
207.05026	1.9
209.06564	0.5
209.10172	1.5
209.13866	0.5
213.09654	1.7
215.11244	2.0
217.10794	2.2
219.08691	0.8
219.10612	2.8
219.14288	0.4
221.06525	0.8
221.10223	1.3
223.11804	2.9
225.09685	1.1
225.13324	0.6
227.09268	0.4
227.11273	4.8
229.12737	0.5
231.12492	0.8
233.10255	0.8
235.11812	3.6
237.09653	0.5
237.13312	1.1
239.11299	10.9
240.17435	0.4
241.12857	3.0
243.12473	0.6
243.14468	0.8
245.12228	3.0
247.11604	0.8
249.13383	1.3
250.12840	0.7
251.11055	0.6
253.12888	3.8
255.14433	0.6
257.12302	11.1
259.11804	1.4
259.15311	0.5
261.13333	4.8
262.13065	0.8
263.11234	0.8
263.14844	1.6
264.11914	0.5
265.12924	0.6
267.14246	0.7
271.13812	0.6
273.13333	0.7
275.14886	2.4
277.16364	0.5
279.14441	1.0
281.15900	0.7
282.13104	0.7
283.13684	0.9
287.18292	0.4
291.14270	0.7
291.17999	0.7
297.16876	1.6
303.18057	0.5
305.19482	0.5
313.16379	0.7
315.14343	1.0
315.18054	30.8
333.19153	100.0
334.19470	1.6
351.20184	47.8
352.20361	1.0
356.20691	8.0
374.17358	0.5
374.21722	5.2
423.06613	0.4
463.30157	0.6
538.88635	0.4
561.60840	0.5
566.79633	0.4
607.37830	0.6
625.39172	0.9
643.41357	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.0
57.03437	1.2
57.07087	1.3
67.05496	3.7
69.07065	3.5
71.58095	1.6
79.05500	2.9
81.03425	2.1
81.07067	4.1
83.04972	0.9
83.08617	1.9
86.06078	3.7
87.04456	1.4
87.95262	0.9
91.05494	1.8
93.07058	2.6
95.05010	1.3
95.08611	3.0
96.17209	1.0
97.06550	1.1
97.10181	1.2
98.06082	1.6
104.07125	2.3
105.07010	1.4
107.08598	1.5
109.10220	1.2
112.07637	1.3
119.08615	2.1
120.30043	1.0
121.10143	2.0
131.08578	1.4
133.10168	1.5
143.08598	1.0
147.11679	0.9
149.09645	3.0
151.05374	1.0
176.17406	1.2
267.16037	2.4
268.16418	1.3
285.93475	1.0
311.25958	1.6
397.13058	2.1
410.13953	1.8
411.14676	5.1
412.15137	4.4
413.16272	2.5
414.45261	1.0
424.11331	2.0
425.16229	10.4
426.16901	7.0
427.17764	1.5
428.18491	1.4
438.13220	3.2
439.13583	15.0
440.18896	5.2
441.19357	34.4
452.14896	2.2
453.15396	16.7
454.16577	4.8
463.14041	1.2
467.17242	25.7
468.18112	15.2
469.18796	12.4
480.15985	1.1
481.14706	12.7
482.15988	2.2
495.16354	1.8
495.21228	0.9
496.17255	14.4
497.18176	2.6
499.20007	1.4
509.18469	2.2
514.22687	1.8
523.19849	1.4
527.23145	2.7
540.20746	1.2
551.19415	1.3
555.22467	28.4
583.21948	100.0
584.22260	3.2
587.25061	1.8
599.43024	1.3
611.21094	1.5
615.24524	9.6
624.44958	6.5
625.45123	10.7
643.24084	72.1
643.40930	20.4
644.24255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75246	0.2
55.01875	0.7
55.05512	2.0
57.03436	1.7
59.04079	0.2
61.02925	2.3
61.61176	0.2
67.05504	3.2
69.03432	0.9
69.07063	1.5
70.06577	0.7
70.81044	0.3
70.81374	0.2
71.05000	0.6
73.02924	1.2
74.06108	0.2
76.96133	0.2
77.03905	0.3
79.05497	4.6
81.03411	0.9
81.07059	4.7
83.01401	0.2
83.04974	0.7
83.08613	2.5
84.08156	0.3
85.02908	2.9
86.09710	0.3
91.03950	2.0
91.05481	1.4
93.07043	8.5
95.04967	1.7
95.08607	10.3
97.02887	2.6
97.06511	0.9
97.10162	0.3
99.04450	1.4
103.05406	0.2
105.07034	1.6
107.04956	2.3
107.08595	7.2
109.02848	0.3
109.06496	0.5
109.10160	0.8
111.04441	0.6
111.08092	0.3
113.05982	0.2
115.03928	0.3
117.07016	2.4
119.08595	3.1
121.06495	1.9
121.09316	0.3
121.10143	4.5
125.05978	1.5
127.03957	0.5
130.07759	0.3
131.08563	0.2
133.10115	0.8
135.08057	0.7
135.11693	18.0
139.07556	0.6
143.08644	0.2
144.32881	0.2
145.04959	1.0
145.06329	0.2
145.10124	9.6
150.93358	0.2
153.12714	0.3
154.12563	0.2
155.08493	0.3
163.06033	1.1
163.11182	26.7
173.09579	0.4
181.12233	5.7
183.06688	0.2
193.12244	0.3
194.12709	0.3
209.11621	1.1
227.12779	41.7
228.13084	0.3
275.08939	0.2
283.15396	100.0
284.15771	0.8
301.16473	1.7
390.85397	0.2
427.19626	0.4
445.20804	2.6
467.86734	0.2
655.30988	0.2
664.64948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01867	2.6
55.05514	15.7
57.03435	3.8
61.02927	16.0
62.14125	1.3
65.03962	1.7
67.05508	36.9
69.03450	7.6
69.07073	16.0
70.06599	1.9
71.04992	4.6
72.55191	1.3
73.02910	5.2
79.05498	22.6
81.03423	8.2
81.07061	30.3
83.04990	5.0
83.08613	12.7
85.02908	12.8
85.06553	2.9
91.03956	5.9
91.05481	38.4
93.07049	26.6
95.04988	6.5
95.08618	24.1
97.02902	9.7
97.06542	7.6
97.10179	4.5
99.04442	1.8
99.08066	2.1
103.05453	2.5
105.07043	32.9
107.04972	5.5
107.08595	14.1
108.08177	1.5
109.06522	3.5
109.10146	12.4
111.08104	4.4
115.05476	5.1
117.07023	27.3
119.08591	17.2
121.06527	5.3
121.10163	8.4
123.08105	2.4
125.09648	2.9
127.03925	4.1
127.17197	1.4
128.06229	8.9
129.07005	35.5
129.09117	1.8
131.04900	2.2
131.08580	42.2
133.06526	4.6
133.10130	11.2
135.08055	3.4
135.11708	3.1
137.09578	2.3
139.11176	1.4
141.06985	14.6
142.07776	3.0
143.08580	24.1
145.06532	5.2
145.10138	16.2
147.04361	2.7
147.08069	6.4
147.11670	7.9
149.09625	5.8
151.11134	1.4
153.07027	3.0
155.08559	23.8
156.09323	1.7
157.10150	14.9
159.08093	4.2
159.11743	8.8
161.09674	4.3
163.11212	4.1
165.07002	2.1
166.07887	2.0
167.08589	9.6
168.09375	1.7
169.10144	13.1
171.08061	1.8
171.11638	9.0
173.09694	1.6
173.13263	4.0
175.11195	3.4
175.14856	1.8
177.12773	3.1
178.07822	1.7
179.08594	4.5
180.09392	1.8
181.10135	13.1
183.11699	8.7
185.09631	1.5
185.13257	5.5
187.11221	3.1
187.14850	1.6
193.10181	5.1
195.11652	8.4
197.13194	7.8
198.30379	1.6
199.11195	2.8
199.14890	1.8
201.12737	2.0
203.14427	2.1
205.12244	1.7
207.11743	5.3
209.13312	7.2
211.11325	2.2
211.14825	4.4
213.13025	2.1
221.13271	7.6
223.14836	7.6
225.12828	3.2
233.13292	2.3
233.15436	3.6
235.14865	4.2
237.16434	3.3
239.14282	5.6
241.16077	3.6
247.17079	2.2
253.15947	2.5
257.15408	5.2
259.17047	3.2
265.16006	1.6
271.16953	5.3
315.20837	2.2
323.23761	3.8
333.22229	13.6
341.24768	6.4
351.23227	49.4
352.23666	1.6
369.24304	35.7
387.25330	33.5
413.17847	2.9
425.26828	2.7
443.27914	28.2
447.14249	2.0
461.29004	100.0
469.20609	3.1
477.15472	2.0
479.30304	15.1
531.30658	1.7
597.19550	2.1
605.32635	1.6
641.22852	1.8
641.31409	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	641.2976
Annotation	Crooksiine
Peak:m/z	Relative Intensity
54.80288	0.3
55.05264	0.3
55.05510	1.8
57.03420	0.6
64.74689	0.3
67.05215	0.3
67.05509	3.3
69.07069	1.4
71.04993	0.4
71.57323	0.4
76.83302	0.3
79.05492	2.1
81.03416	0.3
81.07062	3.4
83.04980	0.3
83.08605	0.9
91.05494	2.1
93.07052	2.5
95.04980	0.5
95.08620	2.4
97.06512	0.6
97.10175	0.7
105.07034	2.1
107.08635	1.9
109.10156	1.2
117.07034	0.9
119.08591	1.7
121.10159	1.1
123.08090	0.3
125.09625	0.6
131.08575	1.3
133.10143	1.1
135.11699	0.6
135.52031	0.3
137.09604	0.3
141.07022	0.3
143.08543	0.4
145.10138	1.4
147.11711	1.1
149.09630	0.3
157.10158	0.5
159.11696	0.8
161.13249	0.5
171.11687	0.3
173.13307	0.6
175.14806	0.3
185.13202	0.4
194.81624	0.3
203.12973	0.4
210.05461	0.3
225.66438	0.3
245.77089	0.3
275.20059	2.3
289.21646	0.7
335.25806	2.1
337.26566	0.3
377.18008	0.6
379.19159	0.7
391.19345	1.3
392.20013	0.4
393.21008	1.6
395.22372	0.4
405.16693	2.3
405.21741	0.5
406.17886	1.1
407.17798	0.4
407.22687	3.6
408.23093	0.3
419.18262	2.4
419.23215	0.8
420.19333	2.0
421.20270	4.4
422.21555	0.4
423.21793	1.3
433.20242	4.4
434.21326	4.1
435.21951	7.2
436.22720	1.5
447.22345	1.7
449.19629	7.0
462.20593	0.9
463.21060	2.7
464.22214	1.8
465.19006	0.6
467.24728	0.7
477.22903	1.1
479.20917	1.2
480.21936	0.4
481.21973	1.7
489.22858	0.6
493.21695	2.2
494.23114	3.0
495.23990	3.1
507.24295	2.0
521.25665	10.7
522.26196	0.4
523.27197	0.5
526.26465	0.3
535.23706	0.6
539.22394	1.5
543.37213	0.6
546.95599	0.4
549.25098	1.2
550.25891	0.5
551.26233	0.6
553.23938	0.6
563.26074	1.0
567.26746	0.4
581.27649	21.7
582.28607	0.5
609.26898	0.5
613.29980	0.3
641.29694	100.0
642.29736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01824	1.5
55.05473	1.7
56.04994	1.7
56.78506	0.4
57.03391	10.2
59.20521	0.4
60.04530	8.4
61.02929	3.6
67.05509	3.2
69.03436	11.8
69.03777	0.5
69.07049	1.2
69.29012	0.5
70.06583	2.4
70.61039	1.2
70.61413	0.9
71.01311	1.1
71.04943	1.9
72.04462	1.2
73.02923	19.9
79.05496	3.0
80.05031	6.0
81.03416	2.8
81.07058	4.1
82.06583	3.7
83.04929	1.8
83.08601	0.5
84.04479	0.9
84.08110	0.7
85.02914	12.5
85.06507	1.1
86.06061	0.9
87.04474	3.7
90.05521	0.7
91.03895	0.7
91.05504	2.4
91.05940	0.5
93.07050	3.0
94.06582	8.2
95.04976	0.9
95.08617	3.6
96.08089	0.8
97.02901	10.1
97.06484	1.4
98.06014	1.8
99.04422	0.9
101.02341	0.7
102.05509	0.7
105.07000	1.2
106.06501	0.6
107.08559	1.0
107.80416	0.5
108.08090	1.3
109.02832	1.0
109.06513	0.6
109.10143	0.9
111.08031	1.6
115.03950	4.6
116.07099	1.0
119.08548	0.6
120.08060	1.6
121.10097	1.2
125.09632	0.6
127.03868	2.3
131.08540	0.9
132.48402	0.5
133.04906	1.4
133.10104	1.1
134.09612	1.0
145.04913	1.7
145.10088	0.7
147.04344	1.0
147.73254	0.5
175.34198	0.5
179.14240	2.3
208.16896	0.6
218.19284	0.6
224.20076	2.0
236.16440	0.9
236.20123	7.7
244.20715	0.8
246.18491	0.5
254.21153	10.4
262.21780	2.4
264.19629	0.5
264.23312	1.0
272.22150	1.8
274.21695	5.0
280.22760	0.5
292.22702	7.8
300.21652	0.6
310.23816	4.9
312.25192	0.6
328.24847	37.7
330.26450	1.4
344.24329	0.7
346.25903	74.7
347.26065	1.3
348.27502	0.6
362.25580	0.6
370.25952	1.6
388.27054	1.2
472.29095	0.7
478.30002	3.4
490.30237	1.1
508.31229	27.1
622.34650	2.6
640.35419	100.0
641.35767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88498	0.3
54.63998	0.3
55.05514	2.7
55.05738	0.6
56.46829	0.4
57.03448	0.4
57.07066	1.0
58.06604	5.6
61.02545	0.3
67.05484	0.5
69.07047	1.2
70.06594	0.6
71.08311	0.7
72.08160	13.1
73.06550	1.7
78.82776	0.4
79.05479	0.6
81.07048	1.0
83.04971	1.7
83.08613	0.5
85.53801	0.4
86.09711	22.9
91.05496	0.6
93.07017	0.7
95.08614	0.6
98.06042	0.5
100.11263	100.0
101.06024	2.2
101.11594	0.6
105.07035	0.7
107.08603	0.7
128.10716	0.4
140.14359	3.4
140.73628	0.4
146.10728	0.6
146.11720	2.5
154.12305	1.4
154.15974	0.9
172.13313	2.8
200.12971	0.4
200.16615	1.2
210.14957	0.6
211.14493	0.9
214.14569	1.0
228.15976	6.7
285.21774	5.5
291.19827	0.5
293.21255	0.9
294.21677	0.4
299.23300	8.3
327.22784	13.5
367.26181	0.4
381.22980	0.4
394.27838	0.5
395.25754	0.9
412.32040	0.7
440.31198	3.3
453.44943	0.5
458.32391	6.1
458.38797	0.4
484.33969	0.8
506.30457	0.5
512.33728	0.7
526.35486	1.5
611.43823	34.4
612.45294	0.4
639.43835	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.47053	0.7
58.05023	0.8
61.09759	0.7
62.31857	0.8
65.16790	0.8
69.28698	6.5
79.81154	0.7
95.08659	1.0
257.37982	0.8
375.16370	0.9
377.17664	1.4
390.18423	1.6
391.19357	3.5
392.19983	2.2
393.21149	1.4
404.19913	1.6
405.20874	6.9
406.21512	2.9
407.22440	7.6
417.21082	1.2
419.22482	3.5
420.22986	3.1
421.23785	12.5
422.18063	1.0
422.24536	2.4
433.23938	2.9
434.25116	1.5
435.18500	1.3
436.18573	1.1
445.20285	1.8
447.21414	1.4
449.19263	1.0
450.20609	1.5
451.21201	8.7
452.22180	2.6
460.22964	0.8
465.22894	14.9
466.23575	1.2
473.19785	1.3
475.20825	1.6
477.22537	1.1
478.23416	1.0
479.24551	1.6
487.21561	2.2
491.20419	1.4
492.21194	1.3
493.26089	3.2
501.23111	1.1
503.24442	13.1
503.31213	1.4
507.27539	8.9
508.28427	2.9
523.23468	2.9
533.25708	1.3
535.27069	13.0
537.25043	9.5
551.26611	3.0
552.27350	15.3
561.24982	3.3
579.25812	6.6
580.26837	2.1
580.98645	0.9
595.28925	5.7
613.24127	1.0
621.27039	14.0
639.28156	100.0
639.41608	5.9
640.28253	1.7
663.40009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40933	1.1
69.24064	11.1
69.66133	1.8
70.12810	1.2
74.66145	1.2
81.34121	1.2
90.09149	1.4
93.07033	1.6
95.96212	1.3
98.21505	2.7
109.10165	1.9
162.65678	1.2
163.99876	1.3
261.39325	1.2
304.74792	1.4
336.42975	1.5
391.19156	3.0
405.20737	10.8
406.21683	3.6
419.22455	1.9
420.22925	3.5
421.23944	3.2
433.19675	3.3
434.24945	1.4
436.18655	2.0
449.19513	1.9
450.20505	2.9
451.21689	1.3
452.21939	3.8
465.16617	2.5
465.22830	34.0
479.24280	5.8
480.24985	4.1
491.20712	3.1
492.21777	2.5
493.26038	3.8
503.24350	21.6
505.22037	1.5
521.25562	14.2
537.24951	6.2
565.24402	45.1
580.26813	14.3
607.25458	14.0
639.27832	100.0
639.41858	41.0
640.28217	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	638.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01875	1.5
55.05510	2.3
56.05028	1.3
57.03438	9.2
58.06591	0.4
59.65692	0.4
60.04528	9.2
61.02917	1.5
67.05508	3.6
68.05018	1.5
69.03425	5.6
69.07070	0.6
70.06596	2.5
70.61446	1.0
71.01351	1.4
71.04995	1.2
72.04509	0.9
72.08148	0.5
73.02918	16.2
79.05484	2.0
80.05018	6.9
81.03418	0.9
81.07059	3.5
82.06582	3.2
83.04972	0.9
84.04523	0.5
84.08154	1.1
85.02905	5.1
85.06532	0.9
86.09721	0.5
87.04468	1.0
89.83189	0.4
90.05548	0.9
91.05504	1.9
93.07045	3.0
94.06564	9.2
94.07117	0.8
95.08603	2.9
95.15970	0.4
96.08132	0.7
97.02888	9.3
97.06541	1.2
98.06057	0.9
101.02376	0.9
105.07013	0.8
105.09892	0.5
106.06548	0.9
107.08623	1.2
108.08144	1.6
109.10158	0.8
110.09721	0.4
111.08109	1.4
113.02377	1.5
115.03947	2.8
116.07101	1.1
119.04946	1.1
119.08603	1.1
120.08115	1.5
121.10163	1.4
122.09676	0.7
123.08036	0.7
125.02362	0.9
131.08583	0.9
133.10152	0.6
134.09694	1.0
135.11722	0.5
143.03426	0.9
145.10100	0.7
147.04408	3.0
147.11693	0.5
148.04715	1.9
149.05089	0.4
154.93837	0.4
161.04445	1.6
161.97209	0.4
168.13820	0.4
175.14879	0.7
176.14355	0.5
179.14343	1.5
180.13881	0.5
182.75946	0.4
190.15906	0.6
203.07256	0.4
206.15475	0.5
208.17032	0.7
218.15463	0.4
219.31059	0.4
220.17015	0.5
224.20056	2.1
236.20154	4.4
237.37460	0.4
246.18578	0.7
251.19896	0.4
253.22913	0.5
254.21104	5.2
256.20743	0.5
262.21631	2.4
264.19894	0.7
264.23279	1.2
272.22183	0.6
274.21622	6.1
282.20709	0.8
287.05756	0.4
292.22687	7.2
300.21738	1.9
310.23792	4.2
327.26514	0.6
328.24802	29.7
329.27374	0.6
338.23520	0.6
346.25879	26.1
356.24368	1.6
370.25925	0.8
370.31232	0.4
374.25305	6.4
388.26941	0.7
473.60358	0.4
488.28653	1.3
506.29593	33.4
507.30090	0.7
602.31787	0.5
620.33185	1.2
633.18542	0.5
638.33862	100.0
639.34088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40500	0.4
55.05508	0.5
57.07076	0.7
59.53937	0.4
67.05495	0.6
70.63051	0.6
71.33058	0.4
81.07069	1.2
83.04978	0.5
93.07040	0.7
95.08619	0.9
105.07065	0.5
109.10148	0.5
118.22242	0.4
127.80943	0.3
147.11705	0.6
209.11505	7.3
209.13336	0.6
240.95981	0.4
263.12515	0.5
299.49124	0.4
315.19257	0.4
337.02487	0.6
345.20416	1.2
353.15659	0.6
525.18323	0.5
581.24225	2.1
587.22778	0.5
606.41711	0.4
619.25690	0.6
637.40796	100.0
638.40912	2.8
661.25458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75212	0.8
53.03946	2.4
55.01868	2.0
55.05515	5.5
57.03154	0.9
57.03437	14.7
57.07078	24.6
57.32286	0.7
59.11847	0.7
61.02929	44.9
63.06223	0.8
67.05504	8.1
69.03078	1.4
69.03435	18.5
69.07067	6.7
69.95084	4.1
71.01347	2.1
71.04995	2.6
71.08633	18.6
73.02552	1.4
73.02921	15.9
75.04520	0.7
79.05489	1.3
81.03419	15.2
81.07059	12.1
83.04971	2.3
83.08619	8.4
83.56979	0.7
85.02907	54.5
85.06522	1.1
85.10182	10.3
87.04471	2.9
89.06020	0.8
91.03960	30.4
93.07039	1.6
95.08611	16.3
97.02894	48.1
97.10165	4.5
99.04459	9.1
101.02392	4.6
103.03947	6.3
103.30223	0.7
108.08186	0.7
109.02883	11.5
109.10162	6.6
111.11716	1.4
115.03911	3.7
117.05515	2.0
123.11722	2.7
125.13268	1.6
127.03914	21.0
129.05489	3.5
129.65422	0.7
137.06006	0.9
137.13181	1.7
145.04956	12.2
159.06546	3.5
163.06024	3.0
171.06523	2.3
182.55553	0.8
183.06537	14.5
187.74870	0.9
201.07559	9.5
219.08649	1.1
239.23720	18.0
257.24710	3.7
311.25827	3.7
313.27368	100.0
314.27908	1.7
331.28296	1.6
341.26761	4.4
355.28546	6.1
367.28506	1.0
383.27975	2.2
385.29501	1.5
397.29416	1.1
421.29517	1.8
439.30753	3.6
457.31628	14.8
475.32660	2.6
493.04706	0.8
619.44086	2.5
637.36389	3.6
637.46814	1.4
637.57520	0.8
656.76019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70333	0.7
54.38276	0.6
54.62779	0.6
57.07064	1.3
67.04964	0.7
70.72601	1.9
83.04955	0.9
93.07042	0.6
95.01083	2.8
96.01860	1.2
96.35816	0.6
151.03682	0.7
153.01602	2.8
162.71326	0.7
167.03177	1.2
173.13243	0.7
180.11113	1.2
207.10027	0.9
209.11502	100.0
210.11913	0.8
225.03749	0.8
235.13065	1.9
237.11069	0.9
237.14546	1.2
265.14020	1.4
281.13599	0.9
353.11533	1.4
353.15723	13.2
379.20859	3.8
394.39444	0.7
411.16293	6.8
431.62042	0.8
465.36218	0.8
581.24146	1.8
587.23193	1.4
619.25458	1.6
637.29169	2.7
637.40338	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
67.05511	3.2
69.86234	5.0
79.05505	2.4
81.07056	3.5
91.05469	2.0
93.07060	2.6
95.04951	2.1
95.08630	1.6
97.06550	1.1
105.07043	2.4
107.04974	1.3
107.08611	1.9
109.10167	1.3
119.08561	1.6
121.10114	2.1
123.11749	1.1
126.90321	0.9
145.10149	1.5
147.11659	1.2
151.20866	1.0
165.12750	1.3
275.20062	2.0
276.20493	1.8
277.21744	3.0
278.21848	1.7
307.22873	1.5
308.23148	2.2
309.24335	3.0
400.17307	1.3
405.20471	4.6
406.21576	4.0
406.84702	1.0
409.50546	1.1
413.17587	1.6
414.18832	1.9
415.19083	2.6
420.23221	4.1
421.23788	6.7
427.19720	1.1
428.19983	1.2
429.20728	7.6
430.22339	1.8
433.24417	2.0
434.24796	1.5
442.21347	1.5
443.22397	3.9
443.28891	1.0
444.23276	2.8
445.20309	2.0
457.24158	2.9
458.24753	3.9
459.21756	5.2
460.22864	2.4
461.19461	5.3
468.61029	1.0
470.21216	1.2
472.22662	5.2
475.21167	1.9
476.21814	4.9
485.23541	10.6
486.24576	2.2
488.22061	3.2
499.47797	1.0
503.24396	12.6
513.22736	3.0
514.23303	1.7
517.26050	5.3
529.25604	1.6
535.27039	17.3
545.25470	60.6
563.26575	4.1
573.25031	13.6
605.27557	62.0
606.27844	1.4
637.30182	100.0
638.30255	1.3
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
51.30181	0.9
53.03926	1.4
55.01857	1.5
55.05510	5.6
57.07048	1.5
60.43301	0.9
61.93917	1.0
65.48831	0.8
67.05511	8.7
68.05840	1.1
69.00419	0.9
69.07066	4.9
71.10262	2.4
79.05495	6.7
81.03425	3.1
81.07053	10.3
83.04984	2.4
83.08604	3.2
91.05497	6.2
93.07062	6.5
94.06534	1.7
95.04971	3.7
95.08608	7.3
97.06480	1.8
97.10173	1.3
105.07015	4.1
107.04978	2.1
107.07340	1.4
107.08593	4.5
109.06512	1.6
109.10152	4.5
111.08069	1.3
117.07007	2.0
119.08569	3.7
121.10152	3.9
123.08076	1.0
125.09614	1.9
131.08563	2.5
133.10091	3.9
135.08046	2.2
135.11676	1.9
137.09650	2.4
139.11221	1.7
143.08559	1.0
145.10095	2.3
147.11679	2.4
149.09581	2.0
149.13324	1.1
151.11168	1.1
154.06415	1.0
159.11708	1.8
162.05515	2.4
163.11192	1.6
177.12694	1.1
180.08072	1.3
181.08904	1.6
193.07666	2.7
194.08238	1.1
195.09154	5.7
195.13942	1.0
196.09984	3.2
197.10722	4.1
206.05730	1.1
207.09123	3.6
208.09969	4.7
209.07156	1.5
209.10695	6.9
210.11510	5.6
211.08702	1.5
211.12337	2.8
212.09406	1.1
212.13091	2.1
217.14345	1.8
221.07115	2.0
222.07875	2.6
222.11594	1.3
223.08705	8.0
223.12218	5.5
224.09444	16.6
224.13065	2.6
225.10303	5.4
225.13817	7.5
226.14667	2.4
235.08698	6.8
236.09407	3.7
237.10251	4.0
238.10991	3.5
239.08209	1.8
249.06548	1.8
250.07210	1.1
250.11052	1.0
251.08185	5.3
251.11856	5.8
252.12621	1.0
253.13382	22.9
255.11272	3.8
256.12109	5.2
260.84988	1.1
263.08173	7.2
264.08942	3.5
265.06070	1.6
265.09738	3.6
266.10483	2.2
269.13034	1.7
271.14426	1.4
273.18491	1.2
275.20038	6.3
277.06134	3.4
277.21625	10.9
278.21906	3.7
279.07541	2.8
279.11282	5.4
281.09250	4.4
281.12573	1.7
282.09796	1.2
283.10770	1.8
291.07669	7.9
291.19278	1.5
292.08618	1.1
293.09177	2.5
295.07101	1.9
297.09079	1.3
297.12149	5.1
307.22614	4.0
308.22784	1.2
309.08743	1.9
309.24289	5.9
310.09421	3.3
311.10318	1.4
311.13705	1.2
319.07028	1.7
321.08640	1.2
323.10464	1.5
325.11929	5.7
351.09753	34.1
369.10809	17.6
403.15329	1.0
470.16946	1.8
488.18170	1.1
489.22803	1.4
517.22388	5.3
523.31573	1.0
525.35352	1.6
545.21918	2.6
573.21320	3.5
577.24573	31.2
605.23956	100.0
606.24121	3.0
637.26532	27.7
637.37964	1.8
637.41437	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
60.98227	0.2
67.05471	0.6
68.73498	0.1
69.07051	0.2
70.73701	0.5
79.05467	0.2
81.07037	0.5
83.08627	0.2
90.89885	0.1
91.05460	0.3
93.07004	0.2
95.08592	0.3
97.06495	0.2
98.97882	0.1
98.98468	1.9
105.07036	0.2
107.08607	0.2
109.10174	0.3
118.06548	1.3
120.08185	0.2
121.08669	0.1
121.10194	0.2
125.00012	6.2
132.08084	0.4
133.08850	0.3
144.08092	7.2
145.08870	0.3
145.10109	0.2
146.09673	0.4
158.09651	2.9
159.10469	1.4
160.11244	0.8
162.09210	0.2
172.11235	2.3
173.12032	0.4
176.14354	9.9
180.70357	0.2
186.12785	0.3
187.13617	0.2
202.15915	84.4
203.16254	0.6
208.04938	0.2
220.16980	9.5
291.19489	0.2
300.13599	100.0
301.14197	0.7
351.14655	0.1
374.17328	0.2
469.03159	0.1
504.30304	0.2
618.39197	1.1
636.40265	4.6
651.82275	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	635.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.91999	0.1
56.05027	0.2
65.03935	1.0
67.05496	0.2
69.03439	0.7
69.89783	0.6
70.06580	0.6
79.05456	0.3
80.05018	0.2
81.03392	0.1
81.07076	0.2
81.28487	0.1
82.06575	0.4
84.08141	0.6
85.02909	0.3
91.05483	8.2
93.05768	0.2
93.07068	0.2
94.06568	0.4
95.08619	0.3
96.08131	0.4
97.02893	0.2
97.08916	1.1
98.09705	0.3
98.21411	0.2
105.07012	0.2
107.04947	0.2
108.08115	0.3
110.09688	1.4
119.04948	21.6
120.08115	0.3
124.11241	0.3
127.03954	0.3
129.10228	0.2
134.09599	0.2
136.07576	0.4
138.12845	0.2
147.04414	100.0
148.04774	0.6
165.05533	0.1
176.14355	0.3
178.15961	0.5
192.17534	0.3
208.20691	0.3
223.21790	0.7
235.21730	0.2
238.21706	0.6
249.97768	0.2
250.21712	0.6
253.22742	2.1
261.23294	1.3
273.23154	1.1
274.21710	0.2
291.24350	0.6
307.10666	0.1
309.25525	0.6
313.11990	0.2
327.26434	15.8
349.24890	0.3
353.24451	0.3
431.24539	0.1
455.29062	2.0
473.30203	1.1
569.89063	0.2
617.33954	0.8
635.35413	56.6
636.36029	0.8
642.15094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88973	0.2
55.05499	0.2
60.04512	0.6
61.78275	0.2
65.03925	1.1
69.03439	0.5
69.71320	1.2
79.05509	0.2
79.14178	0.2
81.07049	0.2
82.06577	0.2
84.08143	0.4
85.02903	0.3
91.05481	8.9
94.06549	0.7
95.93433	0.2
96.08123	0.3
97.02899	0.2
97.08918	0.9
98.09661	0.2
98.20780	0.4
106.14499	0.2
110.09682	1.0
110.26534	0.2
119.04945	21.2
120.08091	0.3
121.74109	0.2
121.84277	0.2
136.11314	0.2
147.04411	100.0
148.04791	0.3
176.14316	0.2
178.15869	0.5
204.17557	0.2
208.20663	0.2
223.21648	0.6
235.09976	0.2
236.20108	0.4
238.21652	0.8
249.23125	0.2
250.21722	1.0
253.22731	1.8
261.23303	1.7
273.23325	0.8
291.24277	0.5
309.25436	0.4
322.61746	0.2
327.26425	34.6
328.26700	0.5
353.24515	0.4
455.29059	1.7
473.30219	1.0
617.34674	0.4
635.35388	68.8
636.35864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01873	9.2
55.05513	89.3
57.03439	11.0
57.07067	2.2
57.09584	1.7
59.05001	5.2
65.03924	2.6
67.05508	100.0
69.03442	8.4
69.07072	22.0
69.28405	14.1
69.96806	1.4
71.01347	4.6
71.04993	5.9
73.02907	3.8
73.06567	1.3
79.05500	36.8
79.05965	2.7
81.03424	17.2
81.07058	42.3
83.04984	13.7
83.08625	46.6
85.02908	27.0
85.06538	4.3
87.04478	12.4
91.05482	27.1
93.07044	26.2
95.04969	11.0
95.08608	23.6
97.02898	3.6
97.06527	6.0
97.10172	78.8
100.11259	5.9
103.03928	3.1
105.07038	17.5
107.04977	9.6
107.08604	28.5
108.08765	1.4
109.06512	3.9
109.10164	67.4
111.04471	1.8
111.08124	5.3
117.07020	6.1
119.08595	17.5
121.06544	3.4
121.10144	13.1
123.08100	3.7
123.11710	1.6
125.09634	79.9
127.03938	2.9
129.06979	2.5
130.07828	1.6
131.08562	9.6
131.32985	1.9
133.10085	7.3
133.52531	1.9
135.08058	5.5
135.11702	10.2
137.09616	5.6
139.11189	4.2
143.10709	7.6
145.10130	11.5
147.07986	3.5
147.11676	4.6
149.09615	6.2
151.11169	1.8
153.12714	4.8
155.08623	2.2
155.10622	9.0
157.10121	3.4
157.12251	5.6
159.11667	1.7
163.11188	18.8
165.12668	1.7
171.11684	1.8
173.09579	3.9
173.11746	55.1
175.11246	1.6
181.12219	3.7
187.13315	9.4
191.10655	4.6
193.12222	5.8
197.30313	1.5
199.13292	4.6
203.12805	3.0
209.11761	8.1
213.12801	1.5
217.14371	4.1
223.13235	1.5
227.12822	3.9
249.06453	1.7
257.19147	3.0
275.20020	20.2
289.21747	2.0
307.22726	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.4
57.03415	0.2
61.81328	0.1
67.05500	1.1
68.05823	0.2
69.03426	0.2
69.07054	0.3
79.05465	0.5
80.50581	0.1
81.07051	0.7
83.04971	0.2
83.08615	0.2
91.05457	0.4
93.07010	0.6
95.04953	0.2
95.08587	0.5
98.97854	0.2
98.98462	2.6
105.07015	0.6
107.08587	0.4
109.10121	0.5
117.06992	0.2
118.06540	1.2
119.08555	0.4
121.10162	0.3
125.00010	6.2
130.06500	0.2
131.08545	0.2
132.08047	0.6
132.08931	0.2
133.08858	0.3
133.10025	0.2
135.11674	0.2
137.09505	0.1
144.08080	8.3
145.08882	0.3
145.10104	0.4
146.09651	0.4
149.46399	0.1
158.09639	3.4
159.10451	1.5
159.11710	0.2
160.11169	0.5
162.09128	0.2
171.11655	0.2
172.11217	2.6
173.11891	0.5
176.14352	10.5
186.12752	0.3
202.15909	87.0
203.16298	0.6
220.16974	9.8
300.13589	100.0
301.14148	0.7
336.87881	0.1
374.17355	0.2
499.33524	0.2
616.37775	1.4
634.38806	4.8
635.38190	0.2
660.92285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.4
56.96564	13.4
57.55912	1.2
67.05514	6.7
69.03443	2.3
69.07060	3.5
70.07108	4.8
71.95284	2.2
79.05487	5.5
81.03414	3.4
81.07040	5.8
83.04997	1.3
83.08628	1.9
84.38986	0.9
84.96046	1.8
85.02898	1.5
91.05488	6.8
93.07060	7.1
95.04973	3.8
95.08589	5.5
97.02915	1.1
97.06515	3.1
97.10193	1.5
98.97581	2.3
102.92605	2.9
104.56621	1.0
105.07037	9.5
107.08608	6.2
109.02889	2.5
109.06532	2.4
109.10153	3.3
110.97558	2.6
111.08166	1.2
117.07021	1.9
118.92095	4.7
119.04910	1.5
119.08591	7.5
121.06465	1.2
121.10142	4.7
123.08086	3.5
125.09630	1.7
128.98599	3.3
129.07072	1.3
131.08586	4.8
133.10155	3.8
135.08076	2.8
135.11722	2.3
136.93117	44.7
136.94160	2.2
137.05969	1.1
142.07884	1.5
143.00243	1.8
143.08583	2.6
145.10150	3.6
146.99678	2.5
147.04411	4.6
147.08020	1.5
147.11682	1.7
149.09584	2.0
151.07570	2.4
152.00223	1.4
154.94173	87.6
155.08560	1.8
157.10162	2.8
159.11681	2.8
160.08914	1.0
161.09605	1.4
162.94580	1.0
162.99155	1.0
163.11192	1.9
165.09097	1.2
167.10739	3.8
171.11708	2.5
172.95244	88.7
173.13295	1.5
175.11293	1.3
177.95717	7.0
181.10112	1.4
181.12291	1.1
182.99731	1.7
185.13324	1.5
189.12857	1.6
190.96280	27.4
192.95770	2.5
194.10950	1.1
195.11844	1.4
195.96834	11.8
196.95303	3.5
197.13310	2.8
201.00732	2.4
207.13873	1.2
209.13448	1.5
210.96780	20.1
212.94864	2.0
212.98398	1.6
213.97842	2.9
214.96361	2.0
219.13768	1.3
221.15398	3.4
222.96820	1.4
225.16360	1.2
228.97850	27.9
229.00095	1.4
233.15424	3.0
233.98404	2.3
235.14839	1.3
238.96333	2.4
240.97887	1.2
241.16014	1.4
246.98901	4.9
247.17026	1.2
251.99532	2.7
256.97528	1.2
262.96362	3.0
280.97302	6.8
286.19391	1.1
287.27069	1.1
298.98563	23.3
311.19873	1.1
315.16486	1.7
316.99457	23.3
317.17886	58.1
322.00146	2.5
333.17447	2.0
335.18927	17.1
335.25766	2.3
358.20517	5.5
373.02014	2.2
391.21951	1.1
397.14560	8.0
453.17151	72.5
457.10092	2.0
471.18219	100.0
489.19165	8.1
494.19824	22.7
541.18829	2.2
559.19623	1.6
597.39648	1.1
615.40479	2.1
633.23590	82.0
633.41754	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	633.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32188	0.6
54.67574	0.6
55.05489	2.8
56.63489	0.6
56.96296	0.7
56.96562	11.2
57.03418	1.2
65.03911	0.9
67.05509	6.4
69.03461	0.9
69.07063	1.1
71.42696	1.2
71.95238	1.8
79.05491	3.5
81.03404	2.7
81.07076	4.9
83.08590	1.2
84.96030	1.7
85.06573	0.6
91.05472	3.1
93.07051	5.3
95.04972	2.1
95.08610	4.1
98.97569	1.3
102.92576	3.4
105.07024	4.8
107.08594	4.1
109.02865	2.5
109.06477	1.0
109.10140	2.1
110.97555	3.4
114.55573	0.6
117.07034	0.6
118.92071	4.6
119.08590	3.6
121.06535	0.8
121.10149	3.7
123.08047	1.7
123.11754	1.0
125.05968	0.8
128.06218	0.7
128.98596	3.3
129.06950	1.3
131.08563	2.8
133.06503	1.0
133.10127	2.1
135.08104	1.3
135.11670	1.3
136.93118	44.0
137.09641	0.7
142.07869	0.6
143.00153	1.5
145.10101	2.2
146.99651	1.3
147.04382	1.2
147.11694	1.1
149.09627	1.4
151.07529	1.6
154.94173	76.7
155.00107	1.0
157.10162	1.6
159.07893	0.7
159.11671	1.5
161.01208	1.4
161.09659	1.0
163.11226	1.4
165.09146	1.5
167.10681	2.2
171.03285	0.9
172.95242	91.1
173.13272	0.8
177.95770	6.0
178.94148	1.2
179.84985	0.7
182.99651	1.9
183.11679	0.8
185.13284	0.9
187.11143	0.7
189.04317	0.7
189.12767	0.9
190.96284	26.4
192.95796	2.8
195.96852	10.0
196.95302	3.1
196.96901	0.7
198.96764	1.2
200.94820	1.0
201.00739	2.7
207.13910	1.2
209.13304	0.8
210.96800	18.8
211.14706	0.7
212.94835	1.2
212.98315	1.6
213.12753	0.8
213.97928	2.8
214.96281	2.4
215.36665	0.7
221.15385	2.5
222.96800	1.2
228.97844	27.4
230.99304	0.9
233.98351	3.4
238.96309	1.8
240.97980	1.7
242.89583	0.6
246.98933	4.5
251.99518	2.3
252.97885	0.7
256.97427	1.4
262.96350	2.3
273.18564	0.9
280.97351	6.2
298.98724	26.5
303.99118	0.9
308.87555	0.9
315.16217	1.5
316.99429	22.6
317.17886	60.1
322.00031	3.1
333.17380	2.0
335.00800	0.8
335.18967	18.3
335.25327	3.3
340.01010	1.7
358.20572	7.5
373.02380	1.5
391.21616	1.9
397.14548	7.2
402.25351	0.8
415.15457	1.0
453.17133	70.5
454.17603	1.0
457.10635	2.1
471.18222	100.0
472.18350	1.3
489.19296	9.1
494.19775	23.5
495.19501	1.6
541.18933	1.9
615.22565	2.2
615.40533	1.3
632.39532	1.9
633.23602	76.6
633.40009	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	633.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.8
55.05450	1.7
56.96491	10.5
57.37560	0.7
62.55765	0.7
67.05418	3.2
69.06991	1.4
71.56911	0.9
71.95217	1.0
79.05399	2.4
81.03323	3.3
81.06963	3.6
83.08540	0.8
84.95982	1.2
85.02805	0.8
87.67527	0.7
90.04131	0.7
91.05379	2.7
91.05879	0.7
93.06955	2.3
95.04899	1.6
95.08607	3.7
97.06471	1.3
98.97491	1.4
99.15781	0.7
102.92631	3.7
105.06927	3.0
107.08476	2.8
109.02809	1.4
109.10094	1.3
110.97490	2.4
117.06972	1.1
118.92072	4.6
119.08488	2.5
120.13586	0.6
120.93607	0.7
121.10020	2.2
121.95720	0.8
123.11690	0.8
124.99004	0.9
128.98572	3.5
129.06854	0.8
131.08452	1.8
133.10034	1.6
135.07938	1.0
135.11642	0.9
136.93121	42.7
138.67876	0.7
139.57779	0.7
142.07774	1.0
143.00063	1.7
143.08475	0.8
145.10046	1.7
146.99554	1.4
149.09596	0.9
151.07457	0.9
154.94171	82.3
155.00160	0.8
155.08492	0.8
157.10013	1.6
161.09509	1.2
163.11092	0.9
165.08978	0.9
167.10611	1.8
167.15211	0.7
171.03212	0.9
171.11557	0.8
172.95238	92.6
175.11122	0.9
177.95775	6.7
178.94070	0.8
181.12100	1.0
182.99623	1.8
183.11569	1.0
184.34915	0.8
189.04253	0.9
190.96277	24.0
192.95667	3.1
195.11589	1.0
195.96840	11.4
196.95198	3.8
198.96770	1.1
200.94708	1.4
201.00638	2.0
210.96793	19.8
212.94592	1.3
212.98393	0.9
213.97910	3.4
214.96201	2.3
221.15208	1.1
222.96761	0.9
228.97849	26.5
233.98340	2.8
238.96141	2.4
240.97760	0.9
246.98891	4.8
251.99434	2.3
256.97272	1.1
262.96310	2.2
279.12509	1.1
280.97360	4.9
298.98486	20.3
315.16351	2.1
316.95880	1.3
316.99432	21.8
317.17868	59.4
318.18188	0.8
321.99850	3.4
333.17267	2.5
335.00275	1.0
335.15005	1.5
335.18945	19.0
335.25610	1.4
340.01245	1.7
358.20560	7.4
365.52081	0.8
373.02008	1.4
391.21439	1.1
397.14581	4.7
453.17133	78.0
457.10190	3.0
471.18213	100.0
472.18491	1.3
489.19211	5.4
494.19815	21.0
541.18665	2.4
559.20349	1.4
615.22803	1.6
615.41333	1.3
633.23553	71.4
633.35040	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	632.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01880	10.6
55.05518	100.0
56.97514	1.2
57.03448	7.6
57.07080	2.4
59.05005	6.9
65.03938	2.4
67.05512	96.6
69.03434	7.9
69.07076	20.1
71.01351	4.6
71.04983	4.3
71.21776	2.2
73.02931	6.5
79.05498	38.9
81.03431	17.1
81.07066	34.8
83.01346	1.3
83.04985	14.6
83.08628	43.1
85.02914	26.6
85.03429	1.5
85.06543	3.2
87.04472	11.0
91.05497	19.4
93.07054	17.6
95.04978	7.2
95.08620	14.6
95.09185	2.0
97.02904	5.1
97.06554	6.4
97.10178	78.0
98.09711	4.8
103.03951	3.2
103.96147	1.2
105.07055	6.9
107.04954	5.8
107.08604	24.7
109.06522	2.6
109.10168	70.2
111.04452	4.0
111.08091	4.6
117.07023	6.4
119.08594	12.3
121.06552	2.2
121.10144	7.2
123.08074	3.7
125.09644	83.8
127.03901	2.1
129.06995	2.4
131.08580	7.9
133.10159	6.1
135.08066	3.0
135.11703	6.1
137.06073	1.3
137.09628	5.9
143.10678	5.7
145.10141	10.2
147.08067	2.4
147.11754	2.4
149.09657	2.8
153.12747	3.8
155.10674	19.0
157.10167	2.1
157.12289	5.0
163.11206	14.3
165.09154	1.9
173.09702	2.7
173.11755	48.3
175.11197	2.6
181.12263	3.7
187.13303	12.8
191.10677	3.9
193.12259	10.8
199.13297	4.4
202.53436	1.4
203.12755	1.8
204.15930	1.2
209.11790	8.3
225.14883	1.8
227.12820	5.3
273.18454	1.7
275.19971	1.6
291.19388	1.5
305.21115	4.3
400.63800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01879	12.1
55.05513	93.1
56.05031	1.4
57.03440	8.1
57.07067	1.8
59.05016	6.3
59.96278	1.2
65.03928	3.7
67.05508	100.0
69.03436	8.8
69.06729	1.3
69.07073	18.9
71.01336	5.1
71.05008	5.6
73.02921	5.9
73.06534	1.3
79.05073	1.8
79.05499	31.1
81.03422	18.5
81.07065	38.1
83.01330	1.3
83.04991	14.5
83.08148	2.0
83.08622	38.6
85.02908	27.0
85.06543	3.1
87.04476	12.9
91.05488	21.8
93.07049	17.0
95.04970	8.6
95.08608	16.5
97.02887	5.6
97.06522	5.9
97.10176	83.1
98.09698	7.7
99.04463	1.1
99.08086	1.6
103.03927	3.3
105.07040	8.7
107.04932	4.9
107.08604	22.5
109.06492	3.3
109.10161	76.1
111.04429	4.4
111.08060	5.4
115.05384	1.6
115.07495	1.3
117.06992	4.9
119.08598	14.9
121.06532	1.9
121.10145	7.4
123.08065	4.2
125.05954	1.9
125.09634	79.2
127.03934	2.2
129.07002	4.6
131.08572	4.8
133.10135	3.6
135.08092	2.2
135.11674	9.2
137.09657	6.2
139.11176	1.4
143.10742	6.2
145.10129	10.6
146.74959	1.3
147.07985	1.6
147.11597	1.9
149.09610	3.1
153.12737	4.9
155.10684	16.9
157.10086	1.3
157.12184	7.2
163.11209	17.5
165.09166	1.1
165.98990	1.2
171.21674	1.2
173.09631	2.7
173.11752	61.4
181.12219	3.4
187.13290	20.1
191.10674	4.8
193.12268	9.6
198.12520	1.2
199.13283	3.7
203.12733	2.0
209.11731	11.4
215.44489	1.1
223.13419	1.5
225.14894	2.6
226.12108	1.2
227.12723	6.6
408.71313	1.2
515.73511	1.1
645.61438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19393	0.2
51.33664	0.2
53.03955	0.3
56.13862	0.3
56.96549	0.4
67.05527	0.7
69.03420	0.5
69.07053	0.7
70.06586	0.9
71.57375	0.4
75.25623	0.3
77.00896	0.3
79.05524	0.7
81.03408	0.3
81.07068	1.2
82.14504	0.3
83.04998	0.3
83.08575	0.3
83.69660	0.3
84.08151	0.8
85.02921	0.7
86.09725	0.7
91.05461	0.6
93.07067	0.6
95.08616	0.8
97.06543	1.3
97.61806	0.3
98.97578	0.6
103.14143	0.3
105.07027	0.4
107.08618	0.4
109.10174	0.5
120.02085	0.3
121.10139	0.5
122.43426	0.3
123.11765	0.4
131.00183	0.3
133.10185	0.4
137.24173	0.3
147.04439	0.7
163.03864	0.5
196.51262	0.3
245.06523	0.3
259.09741	0.7
269.27325	0.3
309.12372	0.3
317.23401	1.1
319.21246	0.6
335.24612	0.9
347.24701	0.4
365.26401	1.3
383.11298	0.9
383.27707	5.8
403.18127	0.4
411.27362	0.7
413.20358	0.5
425.28778	0.6
503.17844	0.8
509.30591	0.5
527.31592	5.8
545.33032	14.4
551.31763	0.5
569.32880	3.8
587.34033	26.1
588.34277	0.5
613.31726	2.9
631.33032	100.0
632.33386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	22.2
67.05503	1.4
69.07053	0.9
69.45708	2.6
69.46134	3.4
70.06562	0.7
71.95264	1.8
74.97615	0.8
79.05448	0.8
81.07063	1.2
84.96025	2.6
91.05484	1.0
92.23090	0.8
93.07049	1.1
95.08571	1.4
97.96830	0.8
98.20796	1.6
98.97587	35.9
100.99200	0.9
105.07042	1.6
109.10133	1.0
110.97570	5.6
112.99141	24.5
116.98618	10.4
121.10146	0.8
124.99140	2.6
128.98605	6.5
131.00177	31.8
134.99655	2.6
140.00201	1.5
140.98590	2.0
143.00145	7.1
146.99669	2.8
149.01216	24.4
152.98624	1.0
153.02223	1.1
154.01787	3.1
158.99667	14.6
161.01276	4.7
167.02307	3.4
170.99690	2.9
171.03284	1.1
172.02924	1.9
173.01218	4.9
175.02800	1.5
177.00717	14.8
185.01227	3.5
189.00737	2.7
191.02235	5.8
195.01817	0.8
199.02800	6.6
200.02293	2.0
203.02318	4.5
203.05864	0.8
209.01201	2.4
215.02316	2.3
217.03831	4.9
219.01782	3.9
227.02202	2.9
233.03365	2.7
237.02876	2.5
240.05458	1.0
241.11079	1.7
263.09564	2.0
275.04367	8.3
281.10495	1.5
293.05426	26.9
299.11588	1.1
303.12903	0.8
311.06494	6.7
315.16309	31.5
316.07022	3.6
331.15820	1.6
333.17371	52.5
334.08078	2.3
351.18436	27.6
356.15182	1.1
356.18961	5.4
364.15759	0.8
374.20020	5.2
375.18298	1.4
377.20102	1.1
380.16101	0.8
393.19547	13.8
407.20956	1.0
513.23804	3.7
551.25214	10.3
569.26355	100.0
570.26575	1.6
629.42120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.41609	0.9
56.96578	0.8
57.03419	0.8
61.02925	1.2
66.03458	1.4
67.05505	2.3
69.03424	1.9
69.07066	1.4
69.23523	9.2
70.06564	1.0
79.05502	2.7
81.07043	2.3
82.06577	1.2
84.04464	0.9
86.09712	3.3
91.05485	3.9
93.03418	2.1
93.07048	4.5
94.06570	6.6
95.04992	1.3
95.07352	2.1
95.08604	1.6
96.08145	6.2
97.02941	1.1
97.06534	1.8
102.05534	1.0
105.07006	1.6
106.06514	1.5
108.04496	2.6
108.08128	6.2
110.09674	8.2
115.31487	0.8
118.06501	0.9
119.08585	1.2
120.04474	2.6
120.08096	7.5
122.06054	4.8
123.08092	0.9
124.07597	11.3
134.06026	3.3
136.07570	7.0
138.09157	12.9
144.04495	1.0
146.06018	85.5
147.04414	1.5
148.07555	4.4
152.07074	3.1
158.09590	1.2
162.05553	1.7
164.07161	1.2
164.89066	1.0
166.08630	12.2
172.03955	3.7
176.07062	1.7
186.09181	1.0
190.05005	17.7
197.10706	1.1
199.12404	2.2
209.10751	2.2
211.08681	2.9
211.12450	1.1
212.09399	1.0
213.10272	1.6
223.12300	1.2
225.10155	6.6
226.10887	1.7
227.11803	15.1
235.08818	0.8
237.10263	2.9
238.10945	1.8
239.11795	3.8
241.09628	1.0
241.13335	2.0
251.11784	1.9
252.12517	1.2
253.09601	2.2
253.13385	3.6
255.11176	1.1
265.09695	1.5
267.11325	2.0
269.12848	8.8
271.10904	4.8
271.14563	7.2
273.12384	3.9
279.11252	1.3
281.12863	2.7
283.10809	3.6
284.11658	4.1
285.12378	6.7
286.13107	1.2
287.13907	28.2
295.10791	1.4
297.12369	8.4
299.13922	100.0
302.12943	1.0
311.13785	1.5
314.13071	3.3
315.13611	3.0
316.14563	4.5
318.15961	1.1
323.10367	1.8
325.11832	9.0
329.15723	1.2
330.16003	6.0
331.16779	6.5
339.13483	1.2
341.11966	1.2
342.12451	2.5
343.12946	4.5
344.13831	1.4
344.17639	2.4
346.19058	1.1
354.16159	1.0
356.13849	2.0
358.15503	5.7
370.15659	1.5
372.16919	4.7
373.17816	3.7
378.18240	8.5
382.11655	1.4
386.18845	1.7
390.18158	8.1
398.14984	6.7
399.15778	10.0
400.16550	1.4
402.18445	1.5
404.15799	1.7
414.18317	4.7
416.16046	7.6
420.19226	13.2
432.19226	38.1
440.16022	1.3
446.17273	4.3
458.17099	11.1
497.18237	1.6
525.24615	1.5
539.25952	1.1
543.26599	1.0
556.19641	1.5
565.24170	1.1
567.26117	5.1
569.23712	2.4
585.26978	18.7
593.23663	1.0
593.91083	1.2
611.24982	33.9
629.31372	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	627.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86256	0.5
67.05499	2.2
69.07077	1.2
70.96748	1.2
79.05502	1.7
81.07060	1.8
83.04990	0.7
91.05478	2.0
93.07061	1.8
95.04984	0.8
95.08613	2.0
95.35335	0.5
97.06557	0.6
97.10268	0.7
105.07030	0.8
107.08628	0.6
109.10206	0.6
119.08595	1.0
125.09648	0.6
133.10141	1.0
143.08586	0.6
159.37630	0.5
275.20102	1.0
317.20831	1.2
331.18707	1.2
333.20517	1.7
335.22061	1.2
335.25967	0.9
349.23553	0.7
349.86694	0.5
383.62119	0.5
529.38733	1.6
609.41132	3.5
620.01392	0.6
627.42303	100.0
628.42212	1.3
644.70227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95758	0.2
56.96511	12.9
56.96819	1.2
59.26523	0.3
67.05463	0.6
69.93240	1.4
71.34485	0.2
71.95205	2.1
72.95969	0.8
74.97565	0.7
84.96045	1.5
97.96809	1.8
98.97530	1.0
99.98312	0.3
105.00098	0.5
107.08498	0.3
110.97568	8.3
112.99073	0.7
115.97800	0.7
116.98614	0.3
121.10134	0.3
123.01198	0.7
124.99086	0.7
127.00629	0.3
128.98610	7.1
133.98837	0.5
137.02669	0.8
141.02257	0.3
143.00124	1.8
143.03738	0.6
146.98692	0.2
146.99651	2.7
152.00117	0.9
153.02260	0.3
155.03729	0.3
157.01714	0.7
161.01160	1.4
161.04726	0.4
170.01172	0.4
171.03313	1.5
172.04233	0.3
175.02730	0.9
183.03276	0.4
185.04826	1.3
189.04323	0.8
190.05103	0.8
197.04790	0.4
199.06349	0.6
203.03787	0.3
203.05827	1.1
205.07449	0.4
208.06238	0.6
217.07443	0.3
221.04683	0.4
227.09535	0.8
235.06358	0.3
239.09560	0.5
241.11119	1.9
245.08437	0.5
245.10597	0.5
249.07741	0.4
252.10269	1.1
259.12280	1.3
263.09579	3.5
264.10318	0.6
265.11102	0.6
270.11337	0.6
277.10980	0.9
281.10629	0.7
282.11288	0.3
285.11270	0.5
289.10974	0.5
291.12878	0.3
303.12723	1.9
313.14816	0.9
315.16306	50.2
317.14301	0.4
331.15778	2.2
333.17371	100.0
334.17615	0.9
351.18439	45.6
352.18625	0.5
356.18967	11.0
357.18921	0.3
369.19421	0.8
374.20065	5.8
375.20340	0.4
399.10968	0.3
401.64447	0.3
591.37231	2.4
609.38751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05508	3.6
55.72521	1.1
57.03436	4.1
61.02930	5.7
67.05506	12.2
69.03425	1.5
69.07067	7.0
69.48500	2.3
69.48912	6.2
70.06581	5.0
71.04991	2.0
72.08146	1.8
73.02905	2.2
79.05511	6.1
81.03391	2.0
81.07063	32.0
83.04980	3.8
83.08609	3.9
84.08144	2.4
85.02897	7.7
85.06541	2.6
86.09699	1.8
91.03950	3.8
91.05486	11.4
93.07065	8.1
95.04969	3.5
95.08617	7.5
97.02896	2.7
97.06539	6.3
98.20747	1.8
99.08095	1.9
99.60533	1.1
103.05478	1.0
103.40821	1.3
105.06388	1.6
105.07039	16.9
107.08583	7.5
109.06510	2.5
109.10151	2.8
110.09676	1.2
119.04918	1.2
119.08585	9.2
120.08134	1.9
121.10159	10.4
123.08064	2.5
123.11710	14.3
125.09633	1.4
127.03978	1.4
127.07567	1.2
131.08528	1.5
133.10197	1.9
135.11652	1.1
136.07597	2.2
137.05937	1.2
137.13278	1.5
141.09068	1.2
147.04416	4.2
147.10497	2.2
147.11697	39.8
157.10165	1.6
159.11667	1.5
163.03937	2.2
163.06007	2.0
165.12770	17.5
167.07030	1.5
173.02399	1.1
173.89565	1.1
175.11186	2.0
183.13780	2.1
185.26340	1.0
193.12305	1.6
211.13208	1.1
211.16884	1.3
211.85887	1.0
215.07045	1.2
219.01808	1.2
225.78639	1.0
229.14354	5.8
259.09616	2.5
259.95392	1.1
267.15933	35.6
268.16132	1.4
285.16980	100.0
297.12350	1.2
301.11813	1.1
325.11649	1.9
389.15445	1.6
390.16055	2.1
429.33914	2.6
447.22455	1.5
447.35214	1.2
474.16290	2.8
527.97913	1.1
609.27826	1.9
627.30579	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	627.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08811	0.6
52.54050	0.6
53.03941	0.8
54.24613	0.7
55.01861	1.3
55.05519	3.4
57.03439	4.1
61.02929	3.8
67.05505	6.8
69.03422	2.0
69.07076	5.8
70.06577	2.2
71.04982	1.9
71.57380	0.9
72.08151	0.8
73.02914	1.7
79.05491	5.4
81.03429	1.0
81.07056	30.0
83.04980	2.8
83.08633	3.9
84.08146	1.1
85.02924	4.5
85.06538	2.4
86.09682	0.9
91.03934	2.7
91.04957	1.1
91.05482	10.1
91.85367	0.8
93.07060	3.5
95.04990	1.1
95.08605	6.8
97.02894	2.2
97.06547	4.2
99.04487	1.0
99.08059	1.2
105.07033	14.5
107.04890	0.6
107.08589	5.8
109.06516	1.9
109.10164	1.2
119.08580	11.8
121.10146	8.6
123.08089	1.6
123.11720	14.1
127.03936	1.7
127.07533	2.0
129.07028	1.0
131.08476	0.8
133.10109	2.2
138.40947	0.6
145.05002	1.5
146.82559	0.6
147.04407	1.0
147.11693	37.3
157.10100	1.5
158.93398	0.7
158.99547	0.7
163.06038	1.5
165.12761	17.2
175.11192	1.9
183.13837	1.6
193.12230	2.0
229.14320	4.4
259.09750	0.8
267.15912	26.1
268.16339	2.3
285.16974	100.0
286.17361	0.8
313.46982	0.7
333.28506	1.0
334.44098	0.7
355.09927	0.6
411.19986	1.1
429.21359	1.1
447.22256	5.9
578.79681	0.8
627.28693	1.0
627.38000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05511	0.7
56.96576	0.9
57.71766	0.6
67.05513	1.6
71.57309	0.9
74.72154	0.6
79.05511	1.6
81.07053	1.6
85.02925	0.6
91.05484	2.1
93.07063	1.4
94.06580	0.7
94.27065	0.5
95.08603	1.2
107.08603	0.8
108.08165	0.6
119.08593	1.1
121.10229	0.8
131.07228	0.6
131.08543	0.9
135.11714	0.8
136.07590	1.1
146.09697	1.1
174.09143	3.9
187.08701	1.6
187.12312	3.9
188.10727	1.4
197.10667	0.8
199.08731	1.2
200.09438	0.7
211.08673	1.3
212.09520	0.8
215.11856	2.5
224.09402	1.6
225.10257	2.6
226.11082	1.2
227.11853	2.5
235.08720	1.0
238.11070	0.7
239.08224	0.6
239.11818	2.2
241.13467	2.5
243.11319	20.0
249.10178	1.4
251.11906	1.0
252.08826	0.7
253.09854	1.5
259.08377	0.8
263.11801	0.8
265.09915	0.9
267.11331	5.5
269.12991	1.9
277.09726	1.9
285.12436	2.1
291.11383	0.9
295.10773	1.8
300.11298	0.8
301.15536	2.9
302.12888	1.4
304.49588	0.7
309.12411	1.6
314.09686	0.7
314.13123	2.0
315.13870	0.7
316.10928	1.2
319.10818	1.1
320.13742	1.1
325.15524	6.1
327.10144	0.9
327.13382	4.4
328.10809	2.0
328.14297	0.9
329.11517	1.1
330.12418	1.8
330.16046	1.3
334.15533	1.1
340.10532	0.9
340.14572	0.8
341.11752	0.9
342.12457	2.3
343.13321	2.0
344.14047	2.2
345.14807	1.1
346.15503	2.0
348.13547	2.7
351.13409	1.6
354.12234	0.8
355.13058	0.9
356.14069	2.9
357.14630	1.3
358.11734	0.8
358.15643	2.8
360.17084	1.5
370.15527	1.6
372.17316	3.4
373.13904	0.8
374.15076	1.0
382.15414	0.9
386.14850	1.9
386.19003	1.4
400.16537	2.3
403.16083	1.3
412.16479	1.0
417.16876	1.2
422.17667	1.7
430.17874	1.3
431.18808	1.2
432.19360	2.5
435.14032	1.2
437.19714	1.8
444.19119	1.3
447.17148	1.3
447.22235	1.2
450.16559	1.4
451.17752	2.7
460.18677	1.2
461.23721	1.4
462.24515	1.3
463.21381	2.7
465.18887	9.8
466.19278	0.8
475.21179	0.8
477.19394	1.4
478.20285	1.4
479.20679	4.3
480.21564	2.6
481.22223	2.5
489.22867	0.9
490.20801	1.2
491.20667	1.4
492.21793	2.2
493.22784	3.9
494.23166	1.0
504.21472	2.6
507.24054	4.5
517.22528	1.9
535.23560	5.2
549.24963	9.6
552.23682	0.8
567.26099	48.0
568.26184	1.0
577.24438	1.6
595.25531	33.0
609.26611	0.9
612.09320	0.7
627.28070	100.0
628.28387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.2
55.05510	15.6
57.03422	4.6
57.07063	6.4
59.05001	3.6
61.02920	3.7
64.19375	2.1
67.05222	2.2
67.05511	22.8
69.03429	16.6
69.07072	69.1
70.06570	7.5
70.08652	3.1
70.09003	8.8
71.04985	8.9
73.02924	4.0
79.05480	13.1
81.03414	13.8
81.06580	4.6
81.07059	78.3
83.04967	5.2
83.08629	15.3
84.08142	2.7
85.02444	2.2
85.02911	31.8
85.06555	7.7
87.00828	11.9
91.03921	2.3
91.05483	11.9
93.07047	32.9
95.04964	14.3
95.08612	56.2
97.02907	14.9
97.06532	12.8
97.10168	7.3
98.03059	2.2
99.04442	4.3
99.08125	2.4
101.28346	2.0
105.01865	11.7
105.07043	30.4
105.07697	3.8
107.08591	33.8
109.02867	8.7
109.06507	5.9
109.10167	39.7
111.08072	7.7
111.11727	20.9
115.03966	2.3
119.08594	16.8
120.08082	3.2
121.10147	36.9
123.08081	3.6
123.11720	70.8
125.09625	4.3
127.03920	19.0
131.08644	2.9
133.10132	7.3
135.08026	3.0
135.11711	15.9
137.06070	2.1
137.09560	2.1
137.13258	9.6
139.11180	21.6
145.04930	6.4
145.10124	6.0
147.04398	8.9
147.11702	20.1
149.09634	2.7
149.13260	18.1
151.11195	14.1
151.14883	5.1
153.12726	8.8
157.10161	2.3
159.02876	6.8
159.11700	7.6
161.13292	7.3
163.11143	3.9
163.14845	9.0
165.12758	30.2
167.14304	8.0
169.12273	6.7
173.13225	5.9
175.14832	8.5
177.12723	2.1
177.16415	4.5
183.13818	5.7
187.14960	2.6
189.16365	4.4
193.12370	2.6
193.15938	2.1
201.16357	3.1
203.17986	4.3
215.18002	5.2
231.04953	3.5
231.20984	2.4
238.45993	2.2
245.22630	7.4
249.22145	3.6
259.09756	2.7
271.24225	22.1
277.25238	12.0
289.22006	4.4
289.25262	79.3
292.09113	2.4
295.26434	5.6
307.26331	100.0
325.27408	13.2
389.15738	6.7
397.27362	3.7
399.14029	3.7
417.15262	6.1
519.29285	9.1
537.30530	9.4
555.31689	22.9
626.24597	3.8
626.35681	3.4
627.29742	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	625.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05512	1.0
60.55753	0.5
67.05529	1.3
67.17456	0.5
67.17823	0.5
69.07059	1.4
71.57838	0.8
79.05489	1.7
81.07059	2.9
91.05470	1.0
93.07047	1.7
93.51105	0.6
95.08624	0.9
97.06502	0.7
97.10184	0.9
100.11259	1.7
105.07032	2.0
107.08606	1.1
109.10159	1.3
119.08560	1.3
131.08595	1.3
133.10182	1.1
143.08635	0.7
146.63515	0.6
147.11792	0.5
155.08528	0.6
157.10141	1.0
169.10193	0.6
183.11804	0.6
195.09946	4.3
209.11513	7.2
275.19949	0.6
315.19363	1.8
317.20975	0.6
333.20322	4.2
339.14227	1.2
503.23779	0.6
595.01044	0.7
607.40302	1.3
625.40704	100.0
626.40967	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	624.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01864	3.5
55.05516	4.7
56.05030	2.9
57.03435	4.6
60.04525	4.2
61.02921	4.9
61.03393	1.2
67.05502	7.1
68.05032	3.5
69.03428	16.4
69.07071	2.5
70.02968	3.9
70.06596	3.2
71.01364	1.6
71.04994	5.0
72.04524	4.8
73.02933	6.5
74.06077	3.3
79.05502	5.7
80.05023	4.4
81.03418	11.8
81.07070	8.3
82.06583	2.6
83.04972	2.9
83.08621	2.3
84.04503	3.5
85.02909	24.5
85.06557	1.7
86.06070	2.4
87.04472	3.6
88.03963	1.2
91.03988	1.5
91.05486	7.3
93.07049	6.5
93.51226	1.0
94.06574	6.5
95.04963	4.0
95.08624	5.7
96.04495	4.6
96.08126	1.6
97.02901	12.3
97.06540	2.6
98.06061	4.4
99.04455	2.7
100.03975	9.5
102.05555	2.6
103.04004	1.7
103.05471	1.1
105.07032	4.8
106.06527	1.6
107.04933	1.2
107.08617	3.4
108.04509	1.3
108.08187	1.5
109.02866	4.6
109.06554	1.7
109.10150	2.4
110.06055	4.0
111.08095	4.7
112.07737	1.1
114.05569	3.7
116.07131	2.9
119.08601	3.0
120.08114	2.3
121.10147	2.0
122.06015	1.9
124.07602	2.4
126.05547	1.5
127.03954	5.8
130.05008	2.1
131.08563	2.7
132.06583	4.8
133.10158	2.6
136.07581	2.1
137.09555	1.1
138.05449	1.3
140.07082	2.2
142.05022	5.0
144.06563	7.3
145.04993	1.2
145.10213	1.5
146.08156	5.0
147.11688	2.0
152.07094	3.7
154.05032	2.0
154.08572	1.1
157.10117	1.4
160.06133	2.8
168.06599	5.1
170.04475	1.8
172.06058	63.1
175.11267	1.6
180.06587	1.6
182.08163	4.0
198.07683	3.2
211.17000	2.8
218.15347	1.5
224.20189	1.8
232.08171	6.9
236.20157	1.5
237.18517	1.5
262.21951	1.6
272.20032	1.8
276.19485	1.6
278.21231	1.9
282.16855	1.4
290.21265	4.9
292.15558	1.8
292.22748	1.8
302.21289	2.7
304.22708	3.3
306.20752	2.4
308.22238	2.8
310.17313	3.0
320.22247	6.2
326.23499	1.4
328.25037	2.1
330.20715	1.8
338.19803	1.6
338.23181	7.7
346.26056	1.7
348.21710	11.5
356.24255	7.0
361.07132	1.7
366.22711	21.7
366.26913	1.9
368.24612	1.2
374.25296	3.4
380.24344	1.6
382.22299	2.1
384.23804	29.2
398.25446	6.1
400.23456	3.0
402.24854	9.9
408.23889	2.9
416.26538	4.7
426.24869	17.7
434.27670	4.1
444.25949	70.7
462.20367	2.3
462.27029	53.0
564.30286	6.6
606.31348	6.1
624.32269	100.0
625.32422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
54.03460	1.6
55.01872	5.2
55.05513	8.1
56.05029	2.5
57.03446	10.1
60.04520	5.7
61.02932	8.0
67.05505	12.4
68.05021	2.8
69.03434	20.0
69.07066	4.5
69.67896	8.6
70.02967	3.1
70.06595	11.5
71.04990	7.5
72.04508	4.0
72.08167	3.3
73.02914	8.9
74.06075	2.7
79.05494	11.7
80.05012	6.4
81.02985	1.9
81.03427	22.5
81.07063	12.3
82.03745	2.7
82.06596	2.4
82.07394	1.7
83.01321	1.4
83.04979	5.5
83.08640	6.3
84.04510	4.9
84.08139	1.6
85.02912	30.3
85.06547	3.5
86.06090	2.7
86.09703	3.6
86.68124	1.3
87.04459	4.0
91.03951	2.9
91.05482	13.0
92.05830	2.6
93.06611	1.1
93.07069	10.5
94.06562	4.9
94.07255	1.1
95.04975	9.7
95.08619	7.9
96.04491	2.9
96.05318	1.8
97.02898	18.0
97.06535	5.8
97.10195	1.9
98.02431	2.0
98.06057	5.5
98.97582	3.2
99.04453	3.5
100.03979	8.3
101.02406	1.9
102.05553	4.7
103.03936	2.0
105.07059	6.3
107.04959	3.6
107.08585	6.3
108.04456	1.4
108.05290	1.4
109.02882	5.7
109.06507	2.2
109.10188	2.9
110.06036	4.2
110.07161	1.4
111.08098	6.2
114.05564	3.3
115.03957	1.6
116.07113	2.7
117.06991	1.9
119.08592	6.8
120.08115	4.0
121.06480	2.5
121.10144	5.1
122.06033	2.8
122.10506	1.2
124.03952	1.5
124.07592	3.1
125.09662	1.2
126.05491	2.6
127.03963	6.8
129.07022	2.4
130.05045	2.5
131.04918	1.8
131.08580	5.8
132.06573	4.6
133.10139	6.0
135.08098	1.6
135.11720	2.5
136.07567	3.4
137.09584	3.0
140.07083	2.1
142.05008	4.9
142.07758	1.5
143.51831	1.3
144.06552	5.7
145.04965	2.9
145.10135	2.9
146.08138	5.7
147.04456	3.7
147.11690	2.7
149.09647	2.5
152.07039	2.0
154.05031	2.5
157.10117	2.9
158.08160	1.6
160.06017	1.8
163.11165	1.9
165.12750	1.4
168.06578	5.6
172.06061	64.7
175.11279	1.9
180.61168	1.2
182.08157	3.8
186.12723	1.1
193.12221	6.2
194.12581	4.2
198.07657	5.2
204.08652	2.1
208.09802	1.5
211.13301	1.7
211.17043	3.1
214.07098	2.5
225.14885	2.2
232.08109	6.8
235.13362	2.4
236.13730	2.7
236.16440	1.4
249.14864	3.6
250.15198	3.9
257.04697	1.3
260.13693	1.7
262.21985	1.5
267.15918	5.1
268.16205	7.0
272.20181	2.2
274.21899	1.4
276.19568	2.3
278.21234	2.2
282.17331	1.6
285.17114	1.8
287.05472	1.9
290.21136	6.4
292.22644	1.5
299.18542	1.5
300.18872	2.9
302.14798	2.3
302.21085	3.5
304.22787	2.3
308.22327	2.1
309.16946	7.8
310.17297	9.5
320.18918	1.7
320.22284	5.4
328.24741	3.1
332.22226	1.7
338.23224	7.4
344.24219	2.1
346.25726	3.2
348.21704	10.4
350.23917	1.4
356.24319	7.8
358.22205	1.6
361.07004	5.5
366.22708	19.5
374.25421	4.3
375.18204	1.9
376.18228	3.1
380.24295	2.5
384.23901	29.8
390.22565	2.7
394.19482	3.2
398.25366	7.3
400.23370	1.9
402.24750	7.6
408.24072	2.5
412.20422	2.9
416.26443	4.6
426.24829	11.8
432.08719	3.3
433.08710	3.2
434.27521	6.0
435.23898	1.4
444.25955	64.4
462.27008	45.7
520.66602	1.4
534.29163	2.5
546.29236	1.4
552.30383	1.9
564.30078	6.5
588.29114	1.9
606.31042	9.6
624.32202	100.0
625.32965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03944	1.0
55.01875	2.2
55.05497	0.4
56.05038	0.5
57.03445	2.1
60.04516	1.2
61.02921	1.1
65.03946	0.4
67.05502	0.9
69.03432	5.8
69.07074	0.9
69.12278	0.4
70.06593	2.2
71.04984	1.2
71.57319	0.6
73.02909	1.8
79.05476	1.5
81.03418	4.4
81.07053	1.4
82.06582	0.6
84.08147	0.5
85.02909	11.2
86.06070	0.7
86.09683	0.7
87.00833	3.5
87.04476	1.1
91.03965	0.5
91.05489	3.5
93.07037	1.1
94.04185	1.7
94.06559	0.7
95.04990	0.8
95.08613	1.0
96.08147	0.4
97.02908	5.9
97.06520	0.9
99.04449	1.8
103.05464	1.8
104.07081	0.8
105.01866	3.4
105.07044	5.5
107.04965	0.9
107.08594	0.8
109.02892	4.2
109.06496	2.5
115.04026	0.5
115.05460	3.6
116.07117	0.7
117.07026	1.1
118.04168	0.5
119.05010	0.7
119.08569	2.2
120.08145	0.6
121.06519	0.4
121.10191	0.7
122.03668	4.1
127.03929	8.3
128.06232	1.0
129.07053	2.6
131.04933	2.7
132.05730	1.3
133.06479	3.4
137.05984	100.0
138.06277	0.6
141.06926	0.4
143.04927	2.1
143.05968	0.4
143.08522	0.5
144.05719	0.9
145.04985	4.1
145.06516	0.8
147.04424	1.6
147.08029	2.3
149.05989	1.9
151.07552	1.5
153.05502	0.8
155.04919	1.2
155.06065	0.7
157.06453	1.4
159.02913	2.6
159.08089	2.5
160.05194	3.8
161.04640	0.9
161.05989	14.8
163.07567	4.2
165.07066	0.7
167.07056	1.0
169.06567	0.4
171.08008	0.6
172.05215	1.8
174.06920	0.4
175.07559	43.6
177.05511	0.6
177.09108	0.5
179.07062	1.0
184.05307	0.6
187.05867	1.0
187.07552	19.1
189.07109	0.6
189.09126	3.6
190.07854	2.0
190.29971	0.5
191.08572	7.2
193.08478	0.6
199.07521	5.6
202.07809	0.9
203.08549	2.7
205.06697	0.5
205.08586	6.1
207.08133	0.5
208.08870	0.5
211.09555	0.6
215.07054	0.6
217.08595	3.0
218.07246	2.3
219.04863	0.5
219.08061	10.7
219.09995	0.4
220.08777	1.8
231.04988	2.2
231.08073	3.4
232.08784	0.5
233.09618	1.0
235.07512	0.7
235.09622	7.6
236.08253	2.1
247.07559	4.6
248.08217	2.5
249.09172	0.5
251.10689	21.6
253.08430	0.5
259.07562	1.8
259.09888	0.7
260.08313	1.0
261.09109	1.2
263.10757	2.7
264.07831	1.6
265.08832	0.8
271.09653	1.6
276.07895	1.1
277.08575	1.2
279.10184	17.1
280.10919	0.9
281.08163	1.0
283.09711	0.4
291.10132	6.9
292.10971	1.6
293.08090	0.8
295.09415	0.4
295.13333	0.5
296.10504	1.8
308.10349	0.6
311.12793	53.2
313.14407	1.6
323.12787	14.6
325.14297	2.3
330.26468	3.1
341.13885	12.6
358.29565	1.1
361.07205	0.6
376.30902	0.9
388.15533	0.7
416.14859	0.5
433.08954	0.7
452.63412	0.5
479.95978	0.4
492.31570	1.4
580.36951	0.6
624.36053	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	623.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96501	4.7
56.96804	0.5
67.05451	0.7
69.66081	2.0
71.95222	0.7
72.95960	0.3
81.07028	0.5
93.06979	0.6
98.97493	1.2
105.00058	0.4
105.06978	0.5
107.08533	0.5
110.97563	1.8
112.99065	0.4
116.98602	0.7
119.08562	0.4
126.42760	0.3
128.98618	2.0
131.00064	0.5
131.08528	0.4
137.02701	0.3
139.00600	0.4
140.17667	0.3
143.03680	0.3
146.99541	0.9
149.01143	0.6
151.00606	0.4
153.02156	0.8
157.01749	0.5
167.03743	0.8
171.03189	1.4
175.97284	0.3
181.05325	0.7
185.04877	3.8
187.08054	0.6
189.04254	0.6
197.04787	0.4
199.06439	5.0
203.05975	3.0
205.01651	0.7
205.07385	0.8
208.04079	0.5
210.02020	0.5
211.06345	0.7
213.07884	0.4
217.07469	5.2
219.03204	1.3
222.07925	0.7
223.02898	1.8
223.06345	0.8
223.08337	0.5
225.07838	0.6
225.09825	0.4
226.05040	1.3
227.09396	0.4
231.06833	1.0
237.04361	3.2
237.11800	0.3
239.09482	0.7
240.08943	0.4
241.03860	0.5
251.05769	0.4
253.11031	0.9
255.05327	0.5
255.09021	0.4
262.08463	1.5
263.11353	0.4
265.07547	0.4
267.09033	1.6
277.10913	0.4
279.09009	1.3
280.09702	3.6
281.10449	0.7
285.09985	0.4
297.10074	0.4
298.10822	1.1
299.94388	0.4
303.11420	0.5
307.15921	1.8
313.16479	0.7
315.18320	0.5
325.16849	0.4
331.15646	27.5
333.19083	5.4
349.16840	100.0
350.17279	0.8
356.20596	0.8
367.17978	2.6
372.18463	16.9
373.18539	0.6
513.29803	0.4
605.36810	1.6
605.46210	1.0
623.36285	54.8
624.36920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01875	4.0
55.05522	15.2
56.96566	2.1
57.03430	6.6
61.02926	17.3
61.56200	1.8
65.03927	1.9
67.05171	2.6
67.05512	37.5
69.03433	8.9
69.07082	14.0
69.98009	7.8
71.04996	5.0
73.02899	5.7
79.05499	29.2
81.03416	6.6
81.07069	31.7
83.04986	4.7
83.08613	13.9
85.02911	16.8
85.06537	5.7
87.04446	2.3
91.03954	12.0
91.05484	38.5
93.07044	28.5
95.04971	6.3
95.08617	19.3
97.02911	15.3
97.06521	4.2
97.10181	3.6
99.04452	2.2
105.07035	29.2
107.04255	1.8
107.04943	6.5
107.08607	14.5
109.06563	4.5
109.10162	9.3
112.30430	1.9
115.05391	3.9
115.43346	2.2
117.07014	28.9
119.04971	3.9
119.08562	15.0
121.06489	5.7
121.10139	11.3
123.08154	3.4
125.09685	2.9
127.03952	3.4
128.06239	4.4
129.07007	28.3
131.08571	34.6
131.09520	3.4
133.06473	6.0
133.10155	11.4
135.08125	4.2
135.11646	3.7
137.09703	2.5
141.07008	14.4
142.07762	3.2
143.08580	23.9
145.06503	6.6
145.10127	15.8
147.08070	4.9
147.11699	5.6
149.01208	3.9
149.09630	6.0
151.11116	2.7
153.06949	2.8
154.01666	1.9
154.07669	2.0
155.08553	19.3
157.06442	2.0
157.10178	12.3
159.08055	4.4
159.11703	7.2
161.09583	3.5
163.11226	3.5
165.07036	3.4
166.13005	2.2
167.08528	8.9
169.10139	11.5
171.08115	3.6
171.11673	9.8
173.09642	3.8
173.13307	3.5
175.11182	3.9
177.12724	4.1
179.08588	2.9
181.10039	9.3
183.08017	3.1
183.11726	10.2
185.09668	2.5
185.13278	6.5
187.11194	3.4
187.14851	2.8
193.10150	6.1
195.11691	8.3
197.13246	5.0
199.11226	2.4
199.14873	3.9
203.14330	2.5
207.11653	5.1
209.13264	7.8
211.11142	2.5
211.14825	5.3
213.12770	4.2
213.16449	2.8
215.14317	6.8
217.12321	2.0
221.13303	6.6
223.14838	6.4
225.12805	2.9
231.17644	2.2
233.13243	2.1
235.14850	3.4
239.14357	6.1
257.15250	3.1
271.16956	3.9
323.23816	6.8
327.26407	2.0
333.22086	11.9
341.24792	5.8
351.18933	2.2
351.23160	36.2
365.15378	3.5
369.24283	30.7
387.25330	15.1
407.25433	2.4
415.28467	2.8
425.26834	9.9
443.27982	100.0
461.29022	66.0
503.30063	2.2
605.32526	2.3
623.33441	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01870	1.1
55.05515	4.6
56.96581	1.4
57.03434	4.4
57.45610	0.7
61.02939	4.0
64.84973	0.6
67.05172	1.0
67.05509	14.4
68.25358	0.7
69.03416	2.2
69.07066	4.4
70.00378	3.3
70.06586	3.6
71.04981	1.1
72.19994	0.7
73.02907	1.5
73.06544	0.8
78.49767	0.7
79.05061	1.3
79.05498	20.7
81.03433	3.4
81.07059	13.8
83.04973	6.3
83.08616	2.5
84.08145	1.9
85.02918	3.3
86.09705	1.9
91.03934	2.3
91.05483	16.0
93.07056	21.2
95.04971	6.1
95.08604	8.6
97.02885	2.7
97.06515	4.5
97.10144	1.6
98.21465	1.3
98.97591	1.7
105.07037	12.5
107.04964	2.4
107.08613	5.9
109.02892	0.8
109.06503	2.2
109.10162	2.6
111.04485	1.0
117.07005	2.4
119.08586	6.9
120.08094	1.2
121.06496	1.0
121.10159	1.9
123.08081	1.6
123.11711	0.9
127.03889	1.4
129.07004	5.2
131.08594	1.8
133.10139	4.8
136.07611	0.9
143.08537	2.4
145.04968	1.0
145.10130	2.8
147.04387	1.8
147.08022	1.2
147.11688	10.7
149.09543	0.8
161.09601	1.5
161.13287	3.9
163.03897	1.9
163.05949	0.9
171.11696	8.0
173.06126	0.7
189.12723	3.4
197.94839	0.7
207.13812	5.7
215.07018	1.6
259.09695	4.2
260.10028	0.7
281.17490	100.0
297.72784	0.7
323.18884	0.8
331.12622	1.0
331.62119	1.0
356.15686	1.1
372.61932	0.7
425.21533	1.0
431.19919	1.2
443.22632	2.4
444.08588	0.8
529.30237	1.4
623.22119	1.3
623.37671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
67.05500	3.0
69.07068	1.2
69.20546	6.8
75.27447	0.6
79.05497	2.4
81.03417	0.8
81.07069	1.9
83.08624	0.8
91.05494	1.3
93.07056	2.3
95.04959	1.3
95.08602	1.2
105.07038	1.7
107.08591	1.7
107.40900	0.7
117.07027	1.2
119.08630	1.0
121.10125	1.3
129.07039	0.8
131.08615	1.2
147.11761	0.9
165.12843	0.7
188.99608	0.8
275.20135	1.4
277.21738	1.8
293.21268	1.5
323.64255	0.8
392.19922	1.1
402.18927	1.2
403.19415	1.5
405.20590	2.2
407.22449	1.0
417.16422	0.8
417.21228	1.6
419.22549	2.1
429.21140	1.5
430.17575	1.2
431.18164	1.3
431.23239	1.1
432.19528	0.9
433.20172	4.5
434.20862	1.1
443.18387	1.4
444.19202	0.9
445.20419	2.7
446.21265	2.4
447.21976	3.4
458.21097	6.1
459.21606	4.2
460.22742	3.2
463.21646	1.7
473.23264	0.9
475.21414	1.9
476.21982	1.9
477.22656	2.1
518.23102	5.4
521.22083	1.4
533.25299	6.1
535.27008	2.0
545.25665	3.9
546.27087	1.0
563.26611	4.7
573.25031	1.1
577.27344	0.8
605.27704	11.0
623.28723	100.0
624.29028	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
63.55878	0.7
69.22107	1.7
69.22507	5.5
108.82111	0.7
130.01717	0.6
141.31038	0.6
162.26001	0.6
209.10793	0.7
235.71498	0.5
303.01389	0.6
318.48251	0.6
376.16919	1.0
377.17505	0.9
378.18524	1.3
389.18210	0.9
390.18576	0.9
391.19293	2.3
392.19995	2.7
393.20959	0.7
399.16516	0.8
400.16934	1.0
401.17764	1.8
402.19534	1.1
403.19702	1.2
404.20834	1.3
405.21085	3.6
406.21481	3.3
407.22379	10.7
413.17734	1.9
414.18607	2.5
415.19525	4.2
416.19843	0.9
419.22842	1.3
420.23193	2.1
421.23953	8.9
422.24634	1.8
427.19492	1.6
428.20273	2.5
429.20871	11.2
430.21857	2.6
433.24600	1.5
441.16342	0.9
442.21674	1.8
443.22672	6.8
444.23434	4.1
445.20428	2.2
447.17770	1.1
455.18579	0.9
456.19296	1.5
457.19318	1.3
457.24060	3.4
458.24811	7.2
459.21741	7.6
460.22656	2.8
461.18872	3.8
462.20767	1.4
463.21228	0.8
470.21149	1.6
471.22440	1.3
472.22763	6.2
473.23996	1.4
474.20297	0.8
475.21130	4.1
476.21951	5.6
477.22745	3.1
484.18698	0.9
485.23611	12.0
486.20392	2.8
486.24881	2.2
487.21417	1.5
488.22226	1.9
489.22855	2.6
499.21188	4.6
500.22034	1.6
502.23569	1.0
503.24524	7.1
504.25946	0.8
508.28372	1.3
513.22980	2.9
514.23755	1.5
517.26398	8.6
529.25842	2.2
531.24011	1.5
535.27002	5.2
545.25531	74.6
546.26019	1.4
563.26520	1.1
564.27106	1.5
573.24963	16.1
591.26172	1.7
605.27600	82.3
606.27936	2.1
623.28674	100.0
624.28986	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	623.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82167	0.7
55.05512	2.0
61.29889	0.8
67.05499	2.5
69.07063	1.1
69.22703	3.1
76.83040	0.7
79.05500	2.4
81.03407	1.3
81.07076	2.7
83.05067	0.9
89.04346	0.7
91.05481	2.5
93.07054	2.4
93.36554	0.7
95.08608	1.3
96.74509	0.8
97.06475	0.9
97.10187	1.3
105.07036	1.8
107.08595	0.7
107.16368	0.7
117.07046	1.0
119.08614	1.5
131.08614	1.0
133.10170	1.2
143.08594	0.7
145.10149	1.1
146.45212	0.7
155.08580	1.0
169.10127	1.1
186.96782	1.2
195.09933	2.9
195.11633	0.8
198.81714	0.7
209.11507	5.1
218.74001	0.8
221.10890	0.8
223.12442	0.9
251.11888	0.8
261.10156	0.7
275.05396	0.8
375.16333	0.9
376.17035	1.0
377.17654	2.2
378.18378	2.1
387.16141	1.4
389.17731	1.5
390.18527	1.0
391.19479	3.1
392.20084	2.9
393.20731	1.7
399.16171	2.0
400.17087	2.3
401.17642	4.8
402.18497	1.0
403.19962	0.9
405.16928	2.2
405.20932	2.3
406.21591	0.8
407.22543	3.8
413.17694	2.9
414.18503	3.7
415.19620	5.9
416.20142	2.2
417.20877	1.3
418.18497	0.9
419.18701	1.7
421.20410	2.0
427.19211	2.6
428.19995	2.9
429.21646	3.4
430.22025	1.8
431.18576	1.1
433.21109	1.4
435.21869	2.9
441.17172	1.0
443.22537	3.1
444.19504	2.8
445.20361	1.2
446.21216	1.1
447.17346	4.8
448.18954	1.6
449.19766	1.2
456.19553	1.0
457.20627	1.5
458.20926	2.2
459.17935	1.7
461.19376	1.2
462.20618	2.2
463.21274	1.5
469.16867	1.0
471.22336	9.2
472.23334	1.2
473.18774	4.0
474.20621	2.3
475.16971	0.8
475.21408	2.8
476.18460	1.5
479.20471	1.1
483.22058	1.4
484.18973	1.7
485.19821	2.7
486.20261	4.4
487.21936	1.8
489.23834	6.2
490.19211	4.6
491.20816	2.9
499.21378	17.9
500.18796	2.2
501.23172	7.3
502.20453	1.2
503.20697	5.6
507.23792	2.1
513.19293	2.5
514.20087	1.3
516.21759	1.5
517.22412	12.7
518.22943	1.3
527.20789	2.8
529.22412	10.6
531.20227	0.9
535.23303	2.7
545.21869	42.5
555.20007	1.7
563.22797	1.8
564.23334	2.0
573.21387	15.1
591.22388	1.1
605.23956	98.7
606.24316	2.0
623.25000	100.0
623.42517	6.3
624.25348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51274	2.4
53.03942	6.0
55.01859	10.6
55.05517	38.2
57.03436	7.3
65.03926	4.5
66.77277	2.4
67.05177	4.5
67.05510	64.9
69.03426	4.4
69.07071	33.2
69.21958	25.8
71.04977	2.9
79.05499	52.8
79.77807	2.2
81.03413	9.9
81.07066	86.3
83.04971	7.1
83.08624	29.0
85.06539	4.6
91.04971	3.8
91.05492	43.3
93.07055	53.0
95.04987	12.9
95.08048	4.3
95.08611	44.7
97.06552	20.3
97.10181	13.3
98.21567	4.8
99.08083	4.5
105.07043	55.7
107.04926	10.4
107.07858	4.1
107.08588	36.6
109.06503	10.3
109.10165	22.7
111.08067	6.2
115.05439	3.0
117.07018	15.8
119.08585	43.8
121.06519	5.1
121.10142	23.2
123.08038	4.4
123.11703	6.3
125.09626	11.7
129.07039	12.1
131.08578	25.4
133.06479	3.6
133.10135	33.3
135.08044	9.2
135.11679	9.2
137.09596	3.4
139.11230	4.1
141.07005	3.4
143.08582	13.1
145.10165	23.3
147.04477	2.7
147.08012	4.8
147.11687	18.9
149.09616	10.0
149.13237	4.4
151.11166	3.4
153.09106	3.3
155.08582	5.4
157.10135	13.2
159.11699	20.3
161.09570	5.8
161.13268	9.4
163.11201	9.8
165.12857	3.3
169.10133	6.3
171.08099	3.2
171.11690	9.2
173.09593	3.8
173.11914	4.3
173.13287	9.0
175.11163	5.3
175.14859	3.2
177.12704	5.9
181.10124	3.9
183.11731	8.6
185.13272	8.7
187.14824	5.2
189.11246	8.6
191.14293	4.2
195.13788	8.0
197.13226	7.0
199.14778	5.1
203.12714	4.0
211.14862	3.9
223.13228	3.9
228.04182	2.4
235.16943	7.6
239.17987	6.2
247.20584	4.5
249.18649	3.2
257.19049	8.4
257.59579	2.5
259.09714	5.5
263.20032	3.5
269.10593	3.8
273.18646	2.7
275.20059	100.0
277.21606	5.8
289.21545	4.8
291.19513	8.4
293.13232	7.8
293.21130	34.0
303.23141	3.6
311.12836	3.5
315.23178	3.1
337.14450	4.0
355.15216	8.8
367.17889	16.7
395.29315	2.8
413.30176	3.7
457.33200	6.9
461.32422	8.9
467.31543	3.3
469.32947	3.6
473.32498	6.7
475.34314	4.4
487.34210	7.5
491.33670	4.0
505.35281	3.1
531.37427	4.8
549.39209	7.5
567.40308	12.5
583.13416	2.9
585.41309	9.5
603.41901	8.0
614.06635	2.9
621.33282	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	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.51236	0.4
67.05488	0.5
71.57565	0.3
79.05502	0.5
81.07077	0.5
91.05480	0.4
93.07039	0.5
95.08600	0.4
109.10161	0.5
115.43694	0.3
121.10213	0.3
128.83936	0.4
154.75124	0.3
240.64258	0.4
244.96017	0.3
301.97064	0.3
313.27228	0.4
375.15891	0.9
387.16443	0.6
388.16806	0.9
389.17569	2.2
390.18405	1.3
391.19171	0.6
401.18015	1.1
402.14047	0.4
402.18539	1.1
403.19537	3.7
404.20007	1.9
405.20959	2.1
415.19406	0.9
416.15732	0.7
416.20309	1.1
417.16251	3.5
417.21252	1.5
418.21869	0.9
419.22421	6.9
420.23300	0.4
430.18036	1.0
431.18143	5.8
432.18915	2.4
433.20084	2.2
443.18881	0.6
444.19949	0.7
445.20157	5.5
446.20929	5.9
447.21814	8.8
448.22763	0.4
459.17337	0.9
459.22073	1.7
460.18753	0.5
461.19751	1.0
473.19128	1.0
473.24084	0.9
474.20456	6.0
475.21286	7.3
487.21304	3.2
488.22153	0.9
491.21164	1.2
501.16190	0.4
501.22598	1.7
503.21185	0.5
505.25815	0.7
506.23566	0.5
518.22845	0.7
519.20288	0.5
529.22388	0.5
533.25500	15.3
534.25452	0.4
561.25000	20.7
562.25696	0.8
565.28540	0.6
589.24609	0.8
593.27673	3.5
621.27075	100.0
622.27667	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05507	0.2
60.66800	0.1
67.05505	0.3
69.07061	0.2
69.21510	1.1
69.21928	0.2
83.04957	0.2
91.05459	0.2
93.07050	0.3
103.47428	0.1
106.06568	0.2
107.08630	0.2
119.08578	0.2
158.42131	0.1
168.26390	0.1
183.87015	0.1
209.10980	0.2
211.12311	0.2
219.09183	0.2
221.10860	0.2
222.11530	0.2
223.12251	0.2
232.09941	0.1
233.10930	0.2
235.12637	0.1
237.10495	0.2
249.10281	0.2
251.11783	0.2
262.34161	0.1
275.20151	0.2
286.13428	0.2
293.21176	0.4
298.13528	0.3
300.14960	0.1
312.15042	0.1
323.14105	0.2
326.16772	0.2
328.14594	0.1
338.12799	0.2
338.16412	0.2
340.14578	0.2
350.12585	0.1
360.14624	0.1
373.14935	0.4
374.15405	0.4
375.16013	0.9
376.17181	0.3
386.16104	0.2
387.16202	0.8
388.16846	0.9
389.17618	3.4
390.18488	1.2
391.19296	0.9
392.19788	0.2
396.17090	0.2
398.17914	0.2
399.16086	0.1
400.17282	0.2
401.18079	0.9
402.14496	0.4
402.18930	1.3
403.19525	4.1
404.20154	2.2
405.20709	2.7
405.25589	0.3
415.15277	0.4
415.19495	0.6
416.16263	1.1
416.20230	0.9
417.16098	3.6
417.21109	2.2
418.17645	0.7
418.21661	1.0
419.22391	7.3
420.23145	0.4
429.16617	0.3
429.21417	0.3
430.17212	1.5
431.18127	6.9
431.23309	0.8
432.19180	2.8
433.20135	2.7
435.21646	0.2
441.16888	0.2
442.18289	0.2
443.18674	0.8
444.19867	0.6
445.20120	6.0
446.20999	6.3
447.21793	9.4
448.22574	0.5
458.20871	0.5
459.17175	0.7
459.21835	2.2
460.18823	0.7
460.23639	0.4
461.19443	1.5
462.20465	0.2
463.21332	0.3
471.18304	0.2
473.19376	1.0
473.23822	1.2
474.20471	6.1
475.21283	7.7
476.22318	0.3
477.23187	0.4
478.23718	0.5
487.21399	3.2
488.21954	0.7
490.23776	0.3
491.21066	1.1
491.25879	0.1
492.25446	0.3
501.22998	1.9
502.23682	0.3
503.20654	0.3
504.21225	0.2
505.20569	0.1
505.27036	1.2
506.23358	0.3
517.22797	0.4
518.23096	0.7
519.20630	0.9
529.22632	0.8
533.25531	15.8
534.25555	0.3
546.22797	0.5
561.24969	22.4
562.25519	0.6
563.22034	0.2
565.27844	0.3
589.24481	1.1
593.27612	3.7
621.27057	100.0
622.27374	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	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.8
55.05677	0.4
56.73600	0.4
57.03363	0.7
61.27020	0.4
67.05407	2.7
67.05785	0.8
69.06995	0.9
71.04928	0.5
71.21731	1.0
79.05398	1.7
81.03329	1.2
81.03731	0.4
81.06950	2.2
88.91372	0.4
91.05366	1.9
92.05748	0.5
93.06937	1.9
95.04857	2.7
95.08489	1.8
95.11983	0.4
96.44263	0.4
97.10107	0.6
105.06918	1.4
107.04944	4.1
107.08467	0.8
108.05191	0.5
109.06525	4.9
109.10056	0.8
110.06783	0.4
113.05936	1.0
119.08467	1.3
121.06419	0.9
121.10060	0.7
123.07938	1.8
131.08490	0.8
133.06470	0.4
133.10051	0.8
135.07983	0.6
135.11497	0.5
137.09546	0.7
147.11557	0.6
151.07457	0.7
159.07932	0.6
165.09038	0.9
175.11081	0.9
175.32133	0.4
177.51961	0.4
208.09996	0.5
213.69797	0.4
233.15317	0.7
235.13455	2.1
235.15247	0.5
236.13602	0.5
249.10017	0.4
257.57611	0.4
271.16797	0.9
272.17142	0.6
285.38199	0.5
289.17947	4.2
290.18243	1.7
291.19861	0.6
293.21021	0.5
307.18958	2.4
308.19302	1.2
356.14081	0.5
373.34418	0.4
374.15121	0.7
375.16202	0.8
387.16055	0.7
388.16937	1.2
389.17596	4.2
390.18347	1.6
401.13354	0.8
401.17828	1.3
402.18317	1.4
403.19397	6.8
404.20169	2.4
405.20810	2.5
408.06314	0.4
413.17355	0.5
415.14929	0.7
415.19821	1.0
416.15347	2.0
416.20767	0.8
417.16019	3.9
417.20944	3.5
418.16946	0.8
418.21429	1.6
419.16849	0.6
419.22330	9.6
420.22534	0.6
429.16406	0.9
429.21564	0.7
430.17926	1.8
431.18137	7.9
431.23532	0.9
432.19180	2.7
433.20120	1.7
443.19006	1.0
444.19519	1.1
445.20227	9.0
446.20987	5.3
447.21796	10.8
459.17957	2.3
459.22318	1.7
460.18274	1.0
461.19858	1.4
473.19061	0.8
473.24130	0.8
474.20441	11.4
475.21274	16.1
476.21741	0.6
477.23117	0.6
487.21338	5.0
488.22250	1.8
496.59482	0.5
501.22931	3.2
502.23157	0.5
505.25797	1.7
519.23407	0.4
529.22491	1.1
533.25525	12.8
535.50159	0.5
546.22491	0.8
561.24988	76.1
562.25104	1.5
565.27832	0.6
589.25055	2.2
593.27167	3.4
621.27106	100.0
622.18585	0.5
622.27484	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	620.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	36.2
57.07068	18.7
67.05499	46.4
69.07056	31.0
69.24184	96.8
78.00006	8.2
79.05473	34.3
81.07051	56.7
83.04961	10.0
83.08615	27.2
85.10155	22.1
87.04460	13.0
89.06015	12.5
91.05483	45.1
91.09076	9.9
93.07038	60.2
95.04950	28.1
95.08604	44.4
97.10176	10.1
97.52311	9.1
105.07038	44.4
107.04940	17.8
107.08596	22.5
109.10150	15.7
113.09645	22.2
117.07002	10.8
119.08577	37.2
121.10126	23.4
131.08589	18.8
133.10114	36.1
135.07999	16.3
135.11691	20.2
139.11136	10.1
145.10115	25.2
147.11707	19.7
149.09616	13.5
159.11700	13.9
161.13330	9.0
163.11142	17.3
165.12730	31.6
170.68303	9.3
198.18462	11.6
201.16154	9.2
217.14293	18.5
219.21272	9.6
275.20016	100.0
277.21637	87.3
307.22589	36.9
309.24121	44.9
310.24496	10.8
398.25061	11.8
423.32037	10.8
459.52966	10.9
581.21881	10.3
585.44641	15.8
644.04956	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	620.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01869	9.8
55.05513	27.8
56.41837	2.7
57.03440	7.7
57.07082	4.4
67.05504	40.6
69.07076	25.2
70.55145	10.5
75.76133	3.0
77.85713	3.1
79.05501	38.8
81.07064	53.8
83.04997	4.2
83.08632	12.8
85.06545	5.4
88.54751	2.7
91.05483	37.1
93.07048	39.1
95.04971	8.7
95.08616	33.9
97.06540	13.7
97.10178	22.3
98.21465	3.2
105.07037	35.7
107.04955	6.1
107.08607	66.4
109.06514	8.3
109.10157	18.2
111.08116	3.5
117.07011	8.0
119.08595	33.8
121.06557	4.0
121.10147	15.8
123.08096	6.8
123.11694	3.4
123.26218	2.5
125.09654	21.3
129.39169	2.8
129.68634	3.5
131.08585	17.8
133.10127	25.6
135.08055	11.5
135.11716	10.4
137.09651	5.1
143.08557	4.3
145.10121	22.4
147.11678	26.1
149.09659	10.5
149.13310	3.4
151.11169	4.9
153.09134	6.9
157.10178	4.3
159.11719	19.5
160.63133	2.8
161.13306	7.5
163.11157	7.7
165.12814	6.9
168.55617	2.7
169.10114	4.2
173.11757	8.3
173.13287	11.3
177.12709	2.8
185.13306	6.7
187.11282	4.0
187.13367	3.9
201.16386	3.6
203.12804	29.1
203.14484	4.0
219.17479	6.0
235.16931	7.6
239.18025	10.1
247.20615	4.9
257.19083	17.6
261.22220	4.3
271.56357	3.0
275.20071	100.0
289.21613	32.2
299.69525	2.5
307.22641	34.0
417.83667	2.7
491.37268	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	620.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01873	4.7
55.05523	27.4
55.23934	3.3
56.72436	3.5
57.03432	6.0
57.07059	7.2
57.35610	4.0
67.05515	49.7
69.07074	36.7
69.52258	21.9
71.04994	7.4
79.05138	4.5
79.05507	52.9
81.03400	11.8
81.07059	41.1
83.04983	10.5
83.08626	15.7
85.06551	7.1
87.04433	4.9
91.05491	38.6
93.07053	53.2
95.04987	20.6
95.08617	32.8
97.06536	11.1
97.10170	5.1
98.20720	6.6
99.64554	3.9
105.07041	49.3
107.04971	42.6
107.08602	29.8
109.06499	9.1
109.10167	19.6
117.06989	17.3
119.08602	39.7
121.06543	7.4
121.10165	27.6
123.08102	8.3
123.11678	4.6
125.09595	5.9
129.07076	7.6
131.08548	15.4
133.10153	26.7
133.26253	3.6
135.08023	15.6
135.11664	9.7
137.09628	9.9
139.11171	8.7
143.08571	12.9
145.10135	18.5
147.11693	10.3
149.09622	26.7
149.13182	5.2
155.08585	4.5
157.10133	7.7
159.11681	14.7
161.13295	4.7
163.11226	13.3
171.11710	4.5
173.13188	5.0
177.12767	5.6
185.09859	3.6
185.13205	5.7
197.13190	5.1
198.18382	4.3
203.12769	7.9
223.13332	5.6
239.17992	6.8
245.18939	4.5
255.71326	3.7
257.19055	13.5
273.18420	9.0
275.20096	100.0
277.21664	6.8
289.04553	3.5
291.19577	40.3
293.21106	37.3
303.20135	4.5
308.66025	4.0
308.70160	3.7
620.44238	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	620.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01883	9.4
55.05523	10.8
57.03448	9.8
57.07051	1.8
67.05507	32.1
67.05840	3.3
69.07072	11.1
71.05015	9.3
71.22169	1.6
71.22522	3.4
73.78225	1.5
79.05505	28.1
81.03426	30.4
81.07061	32.3
83.04976	5.8
83.08611	5.5
84.38168	1.7
85.06545	4.3
89.05988	1.9
91.05485	30.9
93.07051	37.6
95.01331	2.0
95.04977	43.6
95.08614	33.9
96.58956	1.9
97.02902	2.9
97.06532	5.5
97.10169	6.2
103.05442	2.6
105.07030	21.7
107.04964	82.3
107.08614	18.8
109.02921	3.1
109.06528	73.6
109.10145	8.8
111.04436	2.9
111.08094	5.2
113.06008	16.5
115.05466	1.9
117.07014	11.6
119.08587	21.9
121.06505	24.5
121.10146	11.7
123.04461	4.9
123.08092	24.0
125.09648	4.4
126.51904	1.7
129.07010	7.9
131.08572	16.3
133.06488	6.3
133.10124	10.3
135.08067	16.6
135.11679	5.0
137.06033	1.7
137.09636	10.4
137.24196	1.7
139.11267	2.7
141.09109	3.0
143.08572	5.4
145.06499	2.9
145.10153	8.1
145.18126	1.6
147.08096	9.3
147.11693	7.0
149.05995	5.7
149.09653	4.8
149.13191	2.1
151.07570	14.1
153.09137	1.8
155.08565	3.4
157.10106	9.3
159.08078	7.4
159.11708	5.9
161.09636	8.7
161.13298	3.3
163.07503	2.9
163.11172	2.5
165.09114	24.1
165.12778	2.4
169.10245	2.6
171.11729	6.2
173.09648	4.2
173.13173	2.7
175.11203	14.4
177.12685	2.7
179.10716	4.2
181.12332	1.7
187.11310	1.7
187.14748	1.8
189.11186	2.5
189.12782	4.9
191.10724	10.4
193.12263	2.1
199.11232	5.3
201.12785	4.1
201.16475	1.8
203.10925	1.8
203.12779	3.6
205.12279	3.3
215.14288	3.5
217.12341	8.4
219.13768	8.4
221.11707	2.5
225.16489	2.6
233.15363	17.6
235.13316	63.3
237.14845	6.7
242.83171	1.6
243.17447	5.4
247.13345	2.4
247.16943	10.3
249.14787	3.1
253.15845	2.7
261.18497	7.9
261.22095	5.8
265.15463	2.1
265.18002	13.5
271.16977	18.8
275.20105	4.8
277.21759	4.3
279.19672	3.7
289.17993	100.0
291.19574	4.2
293.21106	6.7
306.36359	1.8
307.19067	50.0
325.20148	4.3
357.52957	2.1
404.20108	2.2
419.22232	5.4
431.18369	2.9
445.20285	5.0
447.21747	5.7
474.20422	4.9
475.21628	8.0
533.25452	6.3
561.17065	2.8
561.25092	33.8
585.41516	3.1
621.27142	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	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01871	18.9
55.05511	15.8
56.96553	3.7
57.03443	9.5
57.07061	3.6
61.02919	3.1
65.03920	2.0
65.90640	1.5
67.05507	59.8
68.05817	2.5
69.03087	2.3
69.03432	37.2
69.07070	17.4
69.73063	8.2
71.04992	11.7
73.02935	10.3
79.05495	38.8
81.03425	40.0
81.07058	59.9
82.07394	1.6
82.56514	1.4
83.04975	3.9
83.08604	7.7
84.08931	1.2
84.96016	2.5
85.02908	18.1
91.05480	20.4
93.07046	42.4
95.04952	4.8
95.08609	44.9
96.08952	2.9
97.02893	40.8
97.06535	2.2
97.10152	4.1
98.97600	3.1
99.04460	61.9
101.02393	4.0
103.05452	1.6
105.07033	15.5
107.08601	23.4
109.02885	35.2
109.06530	1.3
109.10162	24.2
111.04451	8.2
111.08092	1.5
117.06986	5.9
119.08566	14.1
121.10153	21.3
123.08064	2.3
123.11690	13.2
127.03921	100.0
129.05478	2.9
129.56239	1.4
131.08549	11.5
133.10130	10.4
135.08026	1.7
135.11699	16.7
136.20470	1.4
137.13245	4.5
143.00143	1.7
143.08560	2.1
145.04958	17.6
145.10165	7.8
147.11690	8.7
149.01251	1.8
149.13283	8.0
159.08058	1.6
159.11668	6.4
159.58458	1.3
161.09573	1.8
161.13277	6.4
163.11043	1.6
163.14809	4.1
165.12778	1.3
171.11650	1.6
173.13257	5.6
175.14809	3.9
177.16315	1.7
180.08617	1.9
183.11636	1.8
185.09590	1.6
185.13260	1.6
187.14822	2.5
203.05263	1.7
209.15268	1.9
228.00604	1.4
241.19501	2.6
243.21043	8.2
259.20609	6.6
261.22134	24.7
277.21701	9.1
279.23227	5.3
283.01913	30.8
284.02197	9.5
284.97723	2.4
301.01926	1.9
302.24670	2.0
318.17990	2.8
335.25659	1.9
337.27313	5.8
338.27634	8.3
351.23322	1.9
353.26743	2.4
357.24075	3.9
359.25104	1.6
369.24274	8.9
387.25244	5.0
394.29550	12.3
405.26407	9.5
423.27444	64.3
499.31064	1.4
602.29108	1.7
620.22296	7.1
620.28937	10.5
620.43884	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	619.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31181	0.5
52.63158	0.4
55.05414	6.0
55.05709	1.9
56.96471	2.3
56.96772	0.9
57.03340	3.4
57.03640	0.8
57.06985	1.1
57.07245	0.9
59.82132	0.4
65.03880	0.6
67.05399	15.3
67.05801	2.7
69.06961	9.5
69.07378	1.6
71.04900	0.8
71.08549	0.5
71.57570	0.7
75.19138	0.5
79.05375	5.2
81.06944	16.4
81.07471	2.0
83.04910	0.8
83.08506	5.1
84.95913	1.7
85.06436	0.6
91.05357	4.2
93.06924	5.4
93.07554	1.1
95.04887	0.5
95.08488	12.9
95.65199	0.5
97.06413	1.0
97.10045	1.8
98.97475	1.6
98.98023	0.4
105.06909	2.7
107.08482	3.0
109.10165	5.1
111.73939	0.5
114.40948	0.4
116.98501	0.6
119.08606	2.8
120.96639	2.5
121.10161	3.2
123.07959	0.6
123.11581	1.6
124.99055	0.6
128.98486	0.6
131.00081	0.7
133.10019	2.2
135.11600	1.0
137.13142	0.6
143.00047	1.7
144.97992	0.7
147.11565	1.5
149.01132	0.5
149.13170	0.5
156.97362	1.6
158.99603	0.6
161.01160	1.4
161.13138	0.5
165.09061	0.5
174.98521	1.2
176.99164	1.2
182.99585	0.7
185.04153	1.0
195.00325	0.5
198.95650	0.7
198.98462	1.3
201.00574	1.0
203.05315	5.9
213.00143	2.9
221.15353	1.0
235.58778	0.5
240.99490	0.9
253.65445	0.5
264.96869	1.3
265.00867	4.6
283.01907	100.0
300.98898	0.8
301.01746	3.6
319.19449	1.3
321.22784	0.5
324.04538	3.4
337.21252	2.6
337.27380	22.1
357.04962	1.0
377.26813	1.3
389.53189	0.6
431.29700	0.5
439.22305	3.0
457.22818	0.8
475.23355	0.7
492.34814	0.5
601.27618	1.1
619.28558	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2766
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
55.01807	2.2
55.05465	0.4
55.45119	0.4
59.44509	0.4
65.03875	1.4
65.04182	0.4
67.05433	1.6
69.03386	0.7
69.25923	1.1
69.26334	2.1
69.86151	0.3
70.06529	1.2
72.08100	0.5
79.05444	0.9
80.04960	0.7
81.03342	1.1
81.06984	1.3
82.06509	0.6
83.04954	0.5
84.08073	0.7
85.02851	0.9
86.09617	1.3
91.05482	6.2
93.05748	0.4
93.06970	1.7
94.06587	1.8
95.04906	1.0
95.08562	0.6
96.08060	0.5
97.02838	0.7
97.06460	1.0
97.08847	1.2
98.09637	0.4
98.97520	0.7
99.04398	0.4
105.06950	1.0
106.06483	0.9
107.04885	0.5
107.08498	0.4
108.04449	0.6
108.08118	4.8
110.09702	2.6
118.06451	0.5
119.04953	10.1
119.08517	0.4
120.08108	2.3
122.05960	0.6
122.09588	1.4
124.07508	0.4
131.04921	0.7
133.10068	0.7
134.05948	0.6
136.07585	31.7
136.11140	0.5
138.05489	0.4
138.09085	0.5
147.04416	29.4
148.07541	0.7
150.09044	0.5
152.06956	1.0
157.06491	0.4
158.09470	0.4
160.03836	1.1
161.04668	0.9
161.09628	0.4
162.05457	0.7
163.03841	0.6
164.07085	8.7
166.08656	3.9
167.07065	0.6
170.09625	0.4
171.09161	0.4
178.04987	2.5
178.15919	0.5
185.07043	1.5
185.10727	0.8
187.04951	0.5
195.06732	0.4
195.08963	0.5
196.09782	0.4
197.10712	0.7
199.08727	1.8
201.06595	3.9
201.10184	0.7
209.10681	0.6
210.09183	0.8
210.11276	0.4
211.08623	1.1
213.06625	5.1
213.10136	3.2
214.08813	0.5
215.08302	0.4
219.07771	0.5
220.20544	1.1
223.08652	0.9
223.12247	0.5
224.09346	1.7
225.10124	1.4
225.13774	0.5
227.08218	2.1
227.11853	1.8
227.15474	0.6
228.06522	0.8
229.09724	2.2
231.07582	1.7
237.10155	1.3
238.08630	0.4
239.08047	0.6
239.11760	1.6
240.12581	0.8
241.09744	4.2
242.14220	0.8
247.21646	0.5
250.21664	1.4
251.08040	0.7
253.13330	2.1
253.22685	2.1
254.11757	1.1
255.07707	2.3
255.11339	2.8
255.14893	0.8
257.09155	0.8
257.68774	0.5
259.10226	0.6
261.23215	2.7
265.09647	1.6
267.11340	1.0
269.09253	6.2
269.12436	0.6
271.14392	1.1
273.08612	1.2
273.15967	3.4
273.23267	1.9
275.10147	1.0
279.24258	1.2
280.12094	0.5
281.12878	5.4
283.10733	6.5
285.12387	0.5
287.10339	0.9
291.24240	1.0
293.09204	1.6
299.13901	6.6
301.11804	0.9
303.13367	2.7
309.25397	3.9
311.10275	35.9
325.11865	4.1
327.26453	9.5
329.11325	100.0
330.11676	0.6
347.12375	1.0
347.63440	0.4
414.17926	0.5
422.20682	1.6
431.18906	0.9
432.19473	0.6
436.18655	0.7
438.20264	11.3
448.18677	0.8
450.20233	7.3
455.29129	2.6
473.30173	11.7
555.26709	0.4
583.25568	1.3
601.26434	10.1
601.35938	0.6
619.33960	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	619.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83658	1.2
65.42260	1.2
69.03431	2.3
69.79799	7.1
70.06588	3.0
85.02905	4.9
91.62914	1.3
94.06559	4.2
97.02887	2.3
98.97572	4.8
101.00876	2.1
103.02433	3.8
115.02404	2.2
116.07073	2.1
116.98645	1.9
119.01922	4.1
121.85822	1.2
127.02446	2.0
127.03926	4.5
128.98592	1.9
131.01881	3.6
133.03473	36.2
137.01912	1.6
138.05505	4.0
141.76764	1.3
143.01872	7.6
145.03496	5.9
145.04906	1.6
146.99706	1.9
147.04402	2.5
151.04562	11.6
155.01900	5.0
157.03462	2.3
158.99658	2.5
159.05023	2.2
161.02945	10.5
167.01866	2.6
168.00206	1.3
169.03563	2.3
171.05063	3.1
173.02975	8.7
175.04544	27.8
177.00616	2.2
177.06033	1.9
179.01883	2.5
181.03462	2.5
185.03026	9.8
187.04524	15.9
189.00650	3.0
189.06056	5.0
189.99538	2.2
197.02995	4.2
199.04527	6.2
201.00693	2.1
201.06113	22.2
203.03969	3.8
210.01216	2.1
211.04530	17.0
215.04118	3.1
217.05620	21.9
219.01744	4.4
219.07210	2.1
220.04573	5.0
221.04762	2.3
229.05531	3.0
240.02396	2.2
245.05127	21.6
261.02902	3.5
263.06213	2.8
275.06345	1.7
277.04791	1.2
277.07657	35.9
279.03784	1.8
281.07001	1.4
295.08780	100.0
305.07275	1.7
306.06927	1.3
312.96707	1.9
318.10364	3.9
321.05002	3.6
337.09836	68.7
349.09836	3.6
365.09622	6.7
365.59341	1.7
367.10934	14.4
381.06906	5.1
397.11935	5.9
439.13464	8.2
448.08423	4.5
457.13617	2.5
458.91428	1.4
469.08749	2.1
619.18042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05506	37.2
57.07070	13.4
64.81113	4.8
67.05508	40.6
69.03417	10.0
69.07072	29.4
69.66942	29.2
71.08641	6.1
79.05495	41.9
81.03448	5.6
81.07053	54.0
81.55983	5.0
83.04988	6.8
83.08628	28.7
83.89024	5.2
87.04469	76.2
91.05488	39.6
93.07052	54.5
95.04961	21.6
95.08597	29.4
97.06525	9.6
97.10172	5.0
105.07030	43.6
107.04977	17.8
107.08593	27.6
108.08994	5.2
109.06520	11.5
109.10143	10.5
111.08070	6.1
117.07021	13.7
119.08588	38.5
121.06487	10.2
121.10144	28.6
123.08031	6.4
123.11672	9.6
125.09619	6.6
129.06996	8.5
131.08591	22.4
133.10141	31.8
135.08067	13.1
135.11714	12.7
137.09590	6.4
139.11191	7.9
143.08542	8.6
145.10156	25.1
147.11696	19.4
149.09616	18.0
149.13333	5.4
151.11215	6.7
157.10143	8.7
159.11697	14.9
161.13283	10.2
163.11177	19.3
171.11707	5.6
173.13304	10.3
175.14798	6.1
177.12712	4.8
178.29141	5.6
197.13286	6.4
237.14806	6.0
239.17972	7.7
247.20932	4.7
257.18982	14.3
259.20639	6.8
275.20053	100.0
275.22809	9.6
276.20651	6.4
277.21570	11.6
301.21625	5.3
305.63620	4.7
307.22714	39.1
395.46729	4.7
439.98926	4.7
506.39063	20.1
618.43280	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	618.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
53.03941	4.7
55.01871	18.8
55.05510	17.6
57.03439	6.1
57.07070	5.6
65.03946	2.1
67.05508	38.3
69.03424	2.4
69.07070	46.1
71.05006	4.9
71.08640	2.6
71.27869	3.3
73.06567	1.6
79.05497	42.4
81.02295	1.7
81.03420	15.3
81.07061	49.0
82.28923	1.8
83.04984	18.2
83.08626	10.7
83.90098	1.7
85.06546	3.0
87.04481	20.8
91.05480	34.6
93.07051	53.6
95.04966	11.8
95.08616	46.8
97.06540	25.1
97.10186	8.5
97.89105	1.7
99.00184	1.8
99.04461	6.3
99.08091	4.1
105.07036	29.2
107.04970	62.1
107.08600	35.6
109.06534	8.2
109.10161	13.1
111.04466	15.1
117.07008	11.7
119.04900	2.1
119.08595	27.4
121.06511	10.1
121.10151	27.1
123.08104	9.5
123.11743	3.5
125.09628	8.5
129.07019	5.8
131.08585	19.1
133.06493	8.8
133.10152	16.2
135.08047	12.1
135.11711	9.4
137.09641	11.6
139.11195	7.6
142.07741	2.1
143.08580	6.8
145.06487	1.8
145.10139	11.7
147.08061	3.7
147.11697	11.3
149.09619	37.0
149.13295	6.9
151.07581	4.3
151.11174	2.3
153.09103	7.8
155.08574	3.2
157.10117	7.4
159.08095	2.1
159.11694	11.5
161.09625	7.6
161.13249	2.7
163.11201	6.1
163.14767	1.7
165.12737	3.9
167.10701	3.5
167.14352	3.5
171.11705	6.6
175.11171	11.7
175.14793	1.7
177.12698	3.7
179.10693	6.6
179.14262	2.5
185.09636	2.5
185.13286	3.6
187.11269	3.4
189.12775	3.8
193.12231	2.2
195.13818	5.9
203.12854	2.6
217.12419	2.5
217.14407	7.5
227.18138	2.2
237.16736	2.1
245.18994	4.8
249.14891	3.2
255.17471	3.7
261.22134	7.1
263.20074	4.9
273.18478	26.1
275.20111	10.5
277.21793	10.1
291.19571	59.0
305.21124	100.0
307.22714	4.9
309.14346	2.2
309.20517	2.8
309.24158	2.8
323.22232	8.3
339.37662	2.0
476.94550	2.2
506.39349	5.4
618.42169	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30368	4.1
53.03942	8.3
55.01880	3.7
55.05515	45.2
56.96568	12.3
57.07076	11.6
59.05008	5.4
65.03944	6.0
67.05502	32.7
69.03438	15.1
69.07076	21.7
71.04985	8.2
79.05496	50.2
81.03422	6.6
81.07064	60.2
83.02799	4.1
83.05002	25.6
83.08630	51.3
84.96021	9.8
85.06545	11.2
87.04472	6.7
91.05479	62.6
92.05791	5.2
93.07053	74.8
94.07381	6.5
95.04990	31.3
95.08615	42.6
97.06538	27.5
97.10192	4.8
98.97592	11.2
99.04462	10.0
103.05431	5.6
105.07035	100.0
106.07384	11.3
107.04916	6.6
107.08604	77.6
109.06537	22.0
109.10162	40.5
111.08081	12.1
113.09644	11.5
115.05410	7.7
117.07001	22.4
118.07355	3.8
119.08588	92.7
120.08889	6.9
121.06509	19.3
121.10162	62.7
122.10500	5.0
123.08082	32.9
123.11705	12.9
125.05984	7.9
125.09618	28.5
126.29797	3.5
128.06232	15.1
129.07004	27.7
130.07782	14.0
131.08571	51.5
133.06523	6.9
133.10153	61.1
133.27869	3.9
134.10571	4.9
135.08034	14.7
135.11679	16.5
136.06198	16.2
137.09628	17.2
139.11209	15.2
141.06993	11.6
142.07794	28.7
143.00145	4.7
143.08578	59.3
144.09299	6.7
144.98088	5.2
145.10130	85.4
146.10588	5.0
147.08064	18.7
147.11693	30.5
149.09618	19.2
151.07545	20.8
153.06937	6.3
153.09186	5.4
155.08539	18.3
155.10681	14.8
156.09346	17.3
157.10139	62.5
158.10823	12.3
159.08075	19.1
159.11703	45.8
160.08778	9.0
160.12166	4.4
161.09666	13.3
161.13307	11.0
163.11206	17.1
165.07014	9.5
165.09138	17.8
167.08553	12.1
167.10719	29.0
168.09335	5.8
169.10136	30.2
170.10921	10.3
171.11697	39.4
172.12216	8.5
173.09622	13.0
173.13243	19.7
175.11215	17.3
175.14847	7.2
179.08566	15.2
179.14330	9.1
180.09322	8.7
181.10126	25.5
181.12225	42.0
182.10831	13.1
182.99614	5.7
183.11729	32.2
184.12511	4.9
185.09593	5.1
185.13246	17.8
186.10558	4.2
187.11089	5.5
187.14844	9.1
189.12730	12.1
191.14279	12.8
193.10129	11.5
193.12254	7.4
194.10938	7.1
195.11714	26.6
196.12393	9.8
197.13196	32.2
198.13840	7.8
199.11195	5.3
199.14854	15.9
201.12726	6.0
203.14267	11.4
204.14705	4.4
205.10181	4.5
207.11763	15.9
207.13811	12.9
208.12395	11.2
208.14336	8.1
209.13341	25.5
209.15216	6.5
210.13997	7.0
211.14854	16.5
212.15506	4.3
213.12819	7.3
213.16458	7.9
215.14343	18.0
217.15997	7.3
219.11646	7.4
221.13246	15.6
221.15413	59.0
222.15752	21.7
223.14836	17.3
225.12776	8.3
225.14832	21.7
227.14319	9.5
231.11566	6.8
233.13271	9.2
233.15399	36.3
235.14815	9.9
237.16432	9.7
245.13104	7.0
247.14851	6.3
247.17099	8.2
249.16405	8.5
251.17937	8.1
255.17374	24.7
259.14865	10.7
261.16437	8.7
263.17969	8.5
264.96918	7.3
270.19873	7.0
271.20462	4.5
273.18558	9.3
275.17566	5.7
281.18961	10.5
282.19824	8.7
282.97806	7.9
286.19183	10.4
287.19992	11.4
295.20456	4.9
299.20206	9.0
300.20651	5.1
311.19821	5.1
311.25842	8.1
319.19366	9.3
337.20499	6.9
365.24805	5.5
367.26428	9.2
383.25934	11.4
415.30862	4.6
567.37390	4.5
582.40588	6.3
600.41205	19.2
618.43231	73.6
619.24713	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24040	1.9
53.03942	5.8
53.36710	1.8
55.01873	13.3
55.05513	100.0
57.03439	11.0
57.07090	9.3
59.05001	7.7
62.31299	1.7
65.03931	3.8
67.05508	96.8
69.03429	8.7
69.07075	22.9
69.08021	1.7
70.15413	6.5
70.15782	3.9
70.79024	1.9
71.01354	7.2
71.04994	4.6
72.08156	2.5
73.02919	5.2
79.05500	39.0
79.63889	2.1
81.03419	19.8
81.07058	45.9
83.01360	2.2
83.04994	13.9
83.08627	46.3
85.02908	31.2
85.06537	4.3
86.81908	1.8
87.04475	41.7
91.05487	27.4
93.07037	20.2
95.04975	11.0
95.08611	21.1
97.02895	6.3
97.06518	5.9
97.10177	70.6
98.09688	2.7
99.04453	1.9
103.03938	3.0
105.07049	19.2
107.04962	6.9
107.08595	34.6
108.08901	2.4
109.06544	4.2
109.10162	66.9
111.04447	2.7
111.08085	7.4
117.07022	7.1
119.08588	20.2
121.06516	5.8
121.10153	11.8
123.08084	7.4
125.05978	4.0
125.09641	73.0
125.10559	4.0
127.03926	4.2
129.07022	5.5
131.08586	8.6
133.10130	7.6
135.08083	3.3
135.11708	8.3
137.09622	7.4
143.08592	3.7
143.10698	8.3
145.10121	13.4
147.08064	5.9
147.11674	3.7
149.09657	2.9
151.07552	6.0
153.09091	2.5
153.12756	4.2
155.10667	10.9
157.10107	4.8
157.12279	2.9
159.11761	2.0
163.11211	19.4
165.09120	3.8
173.09612	3.4
173.10114	3.3
173.11751	50.5
173.13174	2.6
175.11205	2.2
176.71603	2.0
181.12263	6.6
187.11757	2.3
187.13210	9.7
191.10666	4.0
193.10629	2.3
193.12180	9.7
199.13237	4.1
203.14366	2.0
209.11732	11.1
210.10072	1.8
211.13274	4.9
221.15401	6.6
222.15869	4.0
224.59824	1.8
227.12820	4.8
234.44707	2.0
277.21289	1.8
313.21249	2.4
353.81982	1.9
563.30310	2.4
598.20050	2.2
600.40918	2.8
618.42194	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	618.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.03420	1.1
61.02906	1.5
64.76534	0.6
65.03909	0.7
67.05491	1.2
69.03413	2.4
70.06583	2.5
71.05016	0.9
71.57104	1.1
72.08128	0.7
73.02908	0.7
79.05492	5.5
81.03442	1.5
84.04452	0.7
84.08120	0.7
85.02901	7.8
86.09686	1.7
91.05061	0.6
91.05490	7.5
93.07027	2.5
95.04983	0.8
97.02876	2.0
97.06540	0.8
98.97575	0.6
102.05479	0.8
103.05466	8.1
105.07030	25.3
106.04170	1.2
107.04993	3.1
108.05740	1.0
108.08085	0.8
108.16997	0.6
109.02856	0.8
109.06493	1.8
115.05434	2.4
116.98608	0.7
118.04156	6.1
119.04924	3.3
120.05744	1.3
121.06499	6.3
122.03638	0.8
122.07317	1.3
123.04426	1.2
123.08044	2.1
124.05195	1.5
127.03915	2.2
131.04915	1.9
132.05673	1.1
133.06493	27.3
134.07259	1.6
135.04443	1.4
135.08047	4.4
136.07556	1.2
137.05975	5.9
143.05988	0.8
145.04936	3.0
147.04407	1.7
148.05167	1.3
149.05995	12.9
150.06763	11.8
151.03920	1.5
151.07568	4.0
161.05986	15.3
163.07562	1.4
165.09103	13.8
167.07031	23.1
177.05486	3.9
178.06256	1.8
179.07082	3.5
181.08585	7.8
191.06970	1.2
193.08604	100.0
195.10144	1.0
207.06526	1.1
207.10030	0.9
209.08101	28.6
211.09653	64.9
213.11154	1.0
225.11272	1.3
262.98734	0.8
315.13177	1.2
324.11514	0.9
371.13861	3.5
403.17603	1.8
405.18860	1.6
520.15070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76510	3.8
53.03947	7.0
55.01862	7.1
55.05304	4.7
55.05517	46.1
57.03428	7.7
57.07072	7.5
59.14466	4.0
65.03942	6.3
67.05174	6.1
67.05506	79.6
69.03425	12.1
69.07070	35.9
71.04985	12.4
71.08630	4.4
77.03914	4.7
79.05506	63.3
81.03393	4.1
81.07064	87.9
83.04987	11.5
83.08617	27.8
85.06563	10.0
91.05490	58.3
93.07056	100.0
95.04964	16.1
95.08056	6.8
95.08611	78.1
97.06520	15.4
97.10175	23.9
97.17589	4.4
99.08088	6.1
99.95208	4.2
105.07043	51.3
107.04931	6.1
107.08597	75.4
109.06512	17.6
109.10169	51.4
111.08054	12.1
113.09665	5.3
117.07029	21.1
119.08607	46.6
121.06496	7.7
121.10156	65.0
123.08067	27.0
123.11695	12.3
125.09631	18.5
129.07016	9.8
131.08554	32.3
133.06444	4.5
133.10138	48.5
135.08020	12.2
135.11676	32.5
137.09605	15.0
139.11166	16.3
142.07802	4.9
143.08571	14.8
145.10124	36.4
145.59003	4.6
146.10533	6.2
147.08040	11.5
147.11679	23.1
149.09604	10.3
149.13269	20.3
151.07532	21.1
151.11234	6.3
155.08551	6.5
157.10132	19.3
159.08032	6.7
159.11740	27.6
161.09680	5.0
161.13226	16.7
163.11188	12.2
163.14799	7.7
165.09120	14.7
165.12726	6.3
167.10689	6.8
169.10034	8.4
171.11688	16.8
173.11821	5.9
173.13268	17.0
175.14824	9.6
176.97806	4.5
177.12776	5.4
179.14214	7.7
180.09254	4.5
181.12227	15.0
183.11690	11.0
185.13284	9.9
187.14766	7.5
189.12738	12.5
195.11589	7.2
197.13248	8.7
199.14859	8.0
203.12729	9.1
207.11774	5.5
207.13747	11.5
209.13240	5.6
209.15263	5.6
211.14926	5.2
213.12881	4.7
217.14316	8.6
221.15337	44.3
225.16391	4.7
259.20633	16.5
275.20062	10.0
277.21701	39.5
287.19949	5.1
291.23221	25.9
309.24152	10.5
391.26385	4.5
499.46967	4.3
599.40637	15.8
617.41260	76.0
618.41473	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	617.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67592	1.4
53.03937	4.8
55.05515	13.3
56.41130	1.4
57.07074	6.4
59.04987	3.8
63.91426	1.3
65.03937	3.8
67.05508	20.8
69.03440	13.6
69.07076	15.1
71.04994	2.9
71.58127	2.1
76.48616	1.5
79.05492	21.4
81.07058	26.4
83.04982	9.7
83.08627	7.8
85.06546	4.2
88.84711	1.5
91.05487	35.2
91.06016	3.0
93.07050	47.2
95.04987	13.6
95.08617	25.7
97.06547	10.1
97.10217	2.0
98.92055	1.5
103.05495	2.5
105.04542	2.3
105.07036	51.3
107.04967	4.0
107.08605	38.1
107.09303	2.6
109.06520	11.5
109.10153	16.4
111.08102	4.3
111.11743	1.7
113.05974	1.6
115.05495	3.2
116.06265	2.4
117.07048	12.9
119.08592	41.5
121.06543	9.2
121.10154	48.3
123.04410	2.3
123.08076	33.3
123.11751	5.9
125.05994	5.4
125.09650	5.8
128.06239	7.0
128.58678	1.6
129.07047	9.4
130.07806	3.2
131.08592	25.5
133.06522	6.5
133.07507	2.5
133.10135	28.8
133.11084	2.4
135.08028	12.6
135.11717	6.9
136.63365	1.6
137.09624	9.0
139.11200	5.0
141.07028	5.0
142.07805	12.0
143.08562	17.6
144.09348	2.7
145.06506	1.7
145.10130	28.6
146.16209	1.7
147.08069	20.6
147.11705	10.4
149.09625	18.8
151.07547	35.4
153.09146	3.0
154.92949	1.5
155.08572	7.7
155.10684	1.5
156.09332	8.2
157.10144	26.8
158.10945	2.7
159.08076	8.6
159.11725	16.3
161.09633	10.0
161.13295	5.8
163.11212	12.3
165.07054	3.5
165.07639	1.8
165.09106	26.4
167.08560	5.1
167.10693	51.8
168.09377	1.9
169.10109	13.8
170.10927	4.8
171.08119	2.8
171.11719	17.4
172.12488	2.4
173.09679	7.1
173.13263	12.6
174.10501	2.0
175.11139	7.2
175.14865	3.5
177.09206	2.9
177.12932	1.7
179.08630	6.7
180.09407	2.6
181.10214	6.3
181.12248	11.6
182.10979	6.0
183.11667	11.5
185.09735	3.5
185.13263	10.3
187.11276	5.4
187.14856	3.2
189.12756	14.9
191.14403	4.8
192.09448	2.6
193.10181	3.9
194.10938	3.5
195.11746	9.6
196.12564	4.2
197.13243	10.4
199.11263	3.1
199.14929	6.0
201.12747	3.7
203.14290	15.2
205.10072	1.7
206.10938	2.4
207.11751	4.6
207.13881	17.6
209.13336	9.5
209.15462	9.8
211.14857	7.3
213.12730	4.3
213.16458	2.2
215.14359	4.7
220.12466	1.8
221.13341	6.1
221.15363	66.5
223.11276	1.7
223.14902	6.0
225.12825	3.8
225.16492	3.1
227.14438	2.8
229.15918	2.8
231.11696	1.6
231.14049	2.0
233.13300	3.1
233.15471	12.5
235.16936	2.1
237.16649	2.8
239.14284	1.7
243.13806	2.7
247.14790	1.9
247.17084	3.7
253.15958	2.1
255.17497	1.6
261.16428	2.5
263.17999	2.7
265.19702	1.9
267.17532	2.7
269.19104	2.6
271.16919	2.7
273.16333	2.5
275.20300	2.3
279.17703	1.8
281.19022	2.1
283.17712	1.5
285.18564	2.2
285.81540	1.7
286.19305	6.0
287.20163	5.8
291.17636	2.2
291.30112	1.5
295.20627	1.8
299.20331	7.7
311.20224	2.6
313.21722	3.6
314.22269	1.9
322.22876	1.6
347.23669	1.7
365.24622	1.8
391.26505	2.8
409.27530	2.9
507.34567	2.3
525.36139	2.2
581.40045	12.4
599.41046	27.6
617.42114	100.0
618.41931	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	617.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.2
55.05495	20.6
56.73800	5.1
57.07056	15.2
65.03949	6.0
67.05500	41.0
69.03407	23.5
69.07059	29.5
71.05016	7.3
71.57218	7.5
79.05496	53.7
79.35472	4.8
81.03393	7.2
81.07057	65.6
83.04981	31.0
83.08610	17.5
85.02890	6.6
85.06519	8.2
91.03973	6.6
91.05486	62.2
93.07058	80.6
95.04961	37.7
95.08603	47.5
97.02826	4.9
97.06513	24.0
98.97552	5.4
105.07037	93.8
107.04944	8.2
107.08607	73.6
109.06509	28.9
109.10148	33.5
111.08067	7.2
115.05437	12.2
116.06192	7.1
117.07011	22.4
119.08581	66.4
121.06490	9.6
121.10148	100.0
123.08079	36.3
123.11740	10.9
125.05968	25.2
125.09608	20.8
128.06219	13.0
129.06998	19.7
130.07780	10.8
131.08585	53.6
133.06502	6.2
133.10123	53.6
135.08057	12.4
135.11656	13.0
137.09621	10.8
141.07011	13.2
142.07771	25.1
143.08569	36.3
144.09352	9.5
145.06448	7.1
145.10126	78.7
147.08032	16.1
147.11728	31.1
149.09601	19.2
149.13167	6.0
151.11198	9.3
153.06953	6.1
155.08540	13.4
155.10687	11.8
156.09366	19.4
157.10144	49.4
159.08072	14.6
159.11684	40.2
161.09592	21.5
161.13258	8.6
163.10056	5.7
163.11188	38.5
165.09135	13.6
167.08536	16.1
167.10674	77.9
169.10127	28.8
170.10953	11.4
171.11674	24.7
173.09560	8.4
173.13249	22.1
175.11160	15.2
177.12894	5.8
179.08501	7.6
180.09190	7.1
181.10152	22.3
181.12204	46.5
182.03340	6.1
182.10924	8.5
183.11714	21.7
185.09622	10.5
185.13246	14.4
187.11237	11.0
187.14740	10.2
189.12724	13.4
191.14279	7.3
193.10170	10.4
195.11682	19.2
197.13264	23.9
199.11220	5.8
199.14789	11.8
201.12704	8.1
203.14293	5.9
205.10187	7.1
207.11650	15.4
207.13686	8.5
208.12341	9.9
209.13217	21.2
211.11058	6.5
211.14787	17.4
213.12802	8.9
215.14261	10.9
217.15903	5.4
221.13266	13.4
221.15364	15.7
223.14781	21.4
225.12715	9.0
225.16368	13.0
226.37251	5.6
227.14435	6.3
233.15361	35.4
235.14841	11.3
239.14421	8.3
247.14766	9.1
249.16588	8.1
251.17824	6.7
261.16330	8.8
299.20142	8.7
337.86566	5.7
439.19025	50.6
439.69333	11.7
525.35419	11.0
581.39392	8.9
599.40625	20.5
617.17688	5.5
617.27716	5.8
617.32007	6.6
617.41858	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
56.05043	1.3
56.96566	0.8
57.03446	0.7
60.04527	8.6
68.05023	0.8
69.03429	0.8
70.02964	0.6
70.05327	1.7
70.06593	73.0
72.08157	40.5
73.02932	0.8
84.04504	9.4
84.08154	1.4
85.02917	1.9
86.09711	3.6
87.05605	10.0
91.05473	0.7
96.08132	0.7
97.02915	0.8
98.09640	0.6
98.97609	1.3
99.91592	0.5
100.07626	0.5
102.05542	17.2
107.04977	0.6
110.07185	1.0
110.09664	0.5
114.09171	12.4
116.07076	1.5
129.10236	1.0
131.00096	0.6
134.65919	0.5
137.05981	0.7
138.09128	0.6
141.10210	1.3
156.10347	0.6
157.09695	0.6
159.11293	100.0
165.66484	0.6
169.09750	0.6
169.13434	0.6
170.99696	0.9
183.11296	5.5
185.09196	1.5
187.10785	45.6
188.11070	0.6
201.12344	6.2
203.10277	61.7
211.10843	1.0
213.12363	1.0
217.08372	0.7
219.01761	1.0
229.11852	5.5
237.02908	0.7
280.12912	0.6
293.08932	1.2
295.65460	0.5
298.13998	0.9
302.17004	4.1
303.36096	0.6
313.11469	0.7
316.15033	48.5
356.18167	1.5
370.20093	1.2
387.22461	7.9
396.01932	0.5
397.20770	1.7
407.89197	0.5
415.21881	24.6
416.22974	0.6
431.21243	0.6
617.32251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96569	19.0
67.05501	1.6
69.07072	0.4
70.09006	1.1
71.95255	1.0
73.93204	0.3
78.15396	0.3
79.05488	1.0
81.03423	0.6
81.07077	1.6
83.08651	0.4
84.96040	15.7
91.05470	1.4
91.17355	0.3
93.07068	2.0
95.04964	0.6
95.08598	1.6
97.96815	0.5
98.20769	0.4
98.97589	16.6
102.97081	1.1
105.07047	2.0
107.08566	0.6
109.06510	0.6
109.10178	0.7
110.97582	4.8
112.99162	1.6
115.97790	0.3
116.98621	4.8
119.08598	1.1
121.10162	1.2
123.08121	0.6
124.99126	8.2
125.05925	0.3
126.97003	0.7
128.98604	3.7
129.07028	0.4
131.00180	2.9
131.08563	0.9
133.10156	0.8
134.99655	0.6
136.92149	0.4
136.99117	1.3
139.00699	1.1
140.00224	1.0
140.98622	3.4
143.00171	13.0
143.08557	0.4
144.98103	6.8
145.10100	0.8
146.99651	1.2
147.08015	0.5
149.01207	3.0
151.07550	0.8
154.93239	1.0
155.00150	3.7
157.01756	1.4
158.99672	2.2
159.11716	0.7
161.01228	6.6
162.93687	0.5
162.99174	3.0
164.98589	1.5
165.09166	0.4
166.01782	1.3
167.02303	0.5
167.10703	1.0
170.99640	0.4
171.11650	0.6
172.02792	0.5
172.94292	0.9
173.01270	2.0
177.00684	0.4
179.02304	0.4
180.94806	2.9
181.12257	0.9
182.99687	7.5
184.02814	0.6
185.01244	1.0
186.00838	0.6
190.95404	0.6
191.02261	0.6
198.95857	3.4
201.00717	7.2
203.02293	0.8
206.01318	0.5
206.96330	0.6
210.95926	0.5
212.97417	0.4
217.03877	0.7
219.01752	1.3
221.15376	1.8
222.95847	1.4
224.02316	0.8
224.97437	1.0
228.96875	1.8
236.97235	0.4
240.96851	3.6
242.98430	1.6
246.95880	2.6
246.98076	0.9
254.98482	0.9
258.98093	0.8
264.96924	9.9
269.97513	0.6
279.12811	0.3
282.94800	0.8
282.97974	16.9
283.01785	1.4
286.19211	0.3
287.98480	0.8
296.99640	1.0
300.98999	8.9
304.00137	0.3
305.99625	1.9
317.17905	22.4
324.00494	0.6
335.18939	6.6
335.25702	0.5
357.01480	2.1
358.20526	2.0
375.02756	2.7
391.21893	1.6
437.20654	1.4
520.04407	0.4
557.20929	0.9
599.21899	1.9
599.41180	0.3
617.23004	100.0
618.23358	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	617.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05515	0.7
56.96568	22.2
57.07073	0.7
65.96414	0.4
67.05511	1.2
69.07053	0.8
70.07896	0.8
70.08307	1.2
71.95257	0.7
72.96062	0.5
74.97594	0.5
79.05496	1.6
81.03382	0.4
81.07050	1.5
83.04976	0.5
84.96038	18.0
91.05472	1.6
93.07042	2.0
95.08611	1.4
97.06529	0.6
98.97588	17.8
102.97089	0.7
105.07049	2.5
107.08606	1.4
109.06548	0.5
109.10139	0.9
110.97576	4.7
112.99167	1.7
113.38233	0.4
116.98637	4.8
119.08590	2.3
121.10111	1.8
123.08080	0.9
124.99127	9.2
125.09639	0.5
125.98651	0.4
126.97060	0.5
128.90718	0.4
128.98621	4.2
131.00206	3.0
131.08585	1.3
133.10123	1.6
135.08086	0.8
135.11681	0.6
136.92256	0.4
136.99144	0.9
137.09633	0.5
139.00731	1.5
140.00133	0.8
140.98586	4.2
142.07835	0.4
143.00174	15.4
143.01260	0.8
143.08575	1.2
144.98085	6.1
145.01721	0.4
145.10132	2.1
145.11172	0.3
146.99666	1.8
147.11670	0.7
149.01248	3.1
149.09641	1.0
151.07585	1.2
152.98698	0.4
154.93234	1.2
155.00183	3.8
157.01756	1.4
157.10197	0.9
158.01254	0.5
158.99664	3.2
159.11713	0.9
161.01228	7.6
161.02567	0.4
162.93762	0.9
162.99168	3.5
163.11206	0.8
164.98669	1.2
165.09117	0.8
166.01823	1.3
167.02353	0.5
167.10736	1.6
171.11693	0.8
172.94281	0.9
173.01201	2.8
173.13336	0.4
175.02802	0.6
177.00708	0.9
179.02272	0.5
180.94777	4.3
181.10124	0.5
181.12164	0.8
182.99666	8.0
184.02921	0.7
185.01248	0.8
186.00723	0.5
189.12794	0.4
189.72076	0.4
191.02272	0.8
195.11905	0.5
198.95827	3.5
201.00716	7.3
203.02338	0.6
203.96405	0.4
206.96271	0.6
207.13840	0.9
209.13361	0.4
210.95816	1.0
212.97453	0.5
214.95413	0.6
217.03918	0.6
219.01819	1.3
221.15288	1.8
221.97540	0.5
222.95872	1.1
224.02318	0.5
224.97380	2.1
225.16275	0.4
227.09541	0.4
228.96957	1.3
236.97525	0.7
240.96928	4.2
242.98444	2.4
246.95917	2.9
246.98132	1.5
254.98518	1.0
258.98053	1.1
263.98627	0.4
264.96930	11.1
279.12741	0.4
282.94836	1.0
282.97971	19.6
286.19342	0.6
296.99521	1.3
300.99014	10.7
301.02237	0.7
305.99509	2.2
317.17889	24.7
324.00482	0.7
335.18958	6.8
357.01721	2.6
358.20752	1.6
375.02499	2.9
391.21951	1.9
398.04465	0.6
416.61722	0.5
557.20874	0.8
581.20923	0.5
599.21991	1.6
599.40698	0.6
617.23047	100.0
617.42059	2.7
618.22980	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	615.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	3.3
53.03944	12.5
55.05515	23.6
56.05680	3.0
56.72221	3.4
57.07059	10.4
59.04984	5.2
59.32453	2.7
61.79592	3.3
65.03923	8.5
67.05234	2.9
67.05510	33.2
69.03428	23.6
69.06753	3.4
69.07066	29.2
69.37682	13.0
69.38100	11.1
71.05000	5.8
79.05497	39.5
81.07066	42.7
83.04971	20.5
83.08607	14.8
85.06538	9.4
91.05479	80.8
93.06476	5.1
93.07045	87.6
95.04986	25.3
95.08612	44.3
97.06511	6.6
103.05472	9.2
105.07034	100.0
107.04955	7.1
107.07873	4.3
107.08597	89.0
109.06513	27.4
109.10162	35.1
111.04444	8.8
111.08035	6.4
111.11724	6.0
113.09677	2.9
115.05460	9.7
116.06195	5.3
117.07009	27.7
119.04948	10.0
119.07800	5.9
119.08590	87.6
121.06524	43.2
121.09319	5.3
121.10147	86.1
123.08060	14.8
123.11715	17.2
125.09666	8.0
128.06194	12.3
129.07007	26.9
130.07784	6.6
131.04918	4.7
131.08572	70.4
133.06537	18.3
133.10133	62.9
135.08060	24.3
135.11687	30.2
137.09627	7.8
137.13197	3.2
139.11159	6.8
141.06979	18.6
142.07790	19.4
143.08565	57.1
144.09322	10.6
145.06483	16.7
145.09045	6.7
145.10130	82.9
147.08089	22.2
147.11679	26.3
149.06027	6.7
149.09621	36.5
149.13235	10.0
151.07533	7.9
153.07001	8.4
154.07770	4.8
155.08589	22.5
156.09354	19.6
157.10143	48.5
158.07317	3.6
158.10866	14.2
159.08080	41.9
159.11684	44.9
160.08733	3.7
160.12468	4.0
161.06007	4.7
161.09641	17.0
161.13232	9.1
163.07559	20.4
163.11165	7.8
165.06978	11.6
165.09088	8.4
166.07803	5.7
167.08621	16.0
167.10681	74.1
168.09297	8.4
169.10136	29.4
170.10852	8.7
171.08058	7.6
171.11679	37.8
172.08897	3.8
173.09651	22.1
173.13293	43.2
175.07535	7.8
175.11203	17.9
175.14842	16.9
177.09091	11.0
177.12759	3.5
179.08559	12.2
179.73936	3.4
180.09361	9.3
181.10155	20.7
181.12221	9.9
182.10873	13.6
183.08061	5.5
183.11671	31.0
184.12492	6.9
185.09653	17.6
185.13269	14.5
187.07538	25.7
187.11140	14.9
187.14801	29.8
189.09067	6.9
189.12740	14.9
191.14316	12.9
192.09352	7.3
193.10170	15.8
194.10939	10.3
195.08046	3.8
195.11702	23.7
196.12486	8.2
197.09590	15.5
197.13303	22.6
199.11160	18.7
199.14783	19.0
201.09062	4.8
201.12740	10.0
203.14273	6.9
206.10913	5.3
207.11674	19.6
208.12448	8.8
209.09639	10.1
209.13318	21.9
209.15213	5.3
210.10387	4.9
211.11217	15.4
211.14783	24.0
213.12701	13.8
213.16374	15.3
215.14249	17.5
216.14902	3.3
217.10220	4.0
217.15900	4.8
219.11658	6.2
221.13234	14.6
221.15373	13.9
222.14029	5.5
223.11194	16.7
223.14796	11.5
225.12830	17.4
225.16364	14.8
227.10655	6.5
227.14307	6.2
231.11708	6.7
231.17398	8.0
233.13330	4.9
233.15361	91.9
234.13942	5.4
235.11107	6.1
235.14751	8.8
237.12691	10.4
237.16389	10.9
239.10728	5.6
239.14282	5.9
239.17883	6.4
241.12286	6.4
241.15913	5.5
243.13754	5.6
243.17590	4.3
244.12485	3.4
245.13202	6.8
249.12656	6.7
249.16386	6.2
251.14320	6.9
251.17975	8.9
253.12392	8.3
253.15833	3.7
255.17326	6.4
261.16382	5.4
263.14313	4.4
265.15842	5.1
265.19537	6.2
267.13812	4.2
267.17407	15.0
269.19055	16.1
273.18689	17.4
275.14264	5.1
275.17941	3.9
277.15616	6.0
279.14056	3.6
279.17426	9.2
281.18903	9.6
285.18478	6.6
289.15842	4.5
291.17316	5.5
293.18729	3.4
297.18732	7.6
299.20163	6.8
303.17361	4.1
305.15369	4.6
309.18460	8.1
327.19604	14.6
333.22324	5.2
337.21545	4.5
349.21954	4.8
361.21585	3.9
375.22949	6.5
376.36172	4.0
379.22940	5.0
391.22888	4.1
393.24213	9.5
415.26266	5.3
561.37335	9.1
579.38599	26.9
597.39502	78.7
615.40625	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.96561	1.1
57.03430	0.6
61.02939	0.6
62.12729	0.4
67.05502	2.3
69.03429	1.3
69.07074	1.1
69.97843	0.8
69.98267	1.4
70.06608	0.8
71.04994	0.5
72.08160	0.6
79.05534	0.8
81.03439	1.3
81.07062	2.4
83.04984	0.7
83.08647	0.7
85.02936	1.4
85.06561	0.7
86.09742	0.5
91.03953	0.6
91.05502	1.6
93.07066	1.6
95.04984	0.5
95.08640	1.4
97.02917	1.4
97.06546	1.6
99.04489	0.7
104.16647	0.5
105.07060	1.2
107.08630	0.9
109.02911	0.9
109.10189	1.8
111.04466	0.4
117.07858	0.4
119.05028	0.5
119.08595	0.7
121.02966	0.6
121.10149	1.0
121.55035	0.4
123.08028	0.6
125.41529	0.4
127.03960	0.5
131.08549	1.1
133.10194	0.9
136.83702	0.4
137.09644	1.2
137.61034	0.4
145.10181	0.5
147.04407	1.0
149.09647	0.7
159.08147	0.5
163.11247	0.5
171.32716	0.4
179.84875	0.7
203.05319	1.1
227.05307	0.5
237.67001	0.5
245.06377	5.3
283.06161	1.1
284.07050	1.3
289.05307	15.0
295.05984	0.7
312.28088	0.6
313.07077	4.9
319.25031	1.2
337.07080	0.5
349.27173	11.3
367.28217	8.6
409.28348	1.2
511.31564	0.8
529.33313	2.3
571.34656	11.3
597.23450	0.8
597.32703	1.3
615.33649	100.0
616.34137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01861	2.7
55.05500	8.9
57.03416	3.0
57.07058	8.1
58.66590	2.4
59.08244	2.4
65.03915	2.3
67.05512	18.4
69.03425	4.7
69.07048	8.2
69.98225	12.1
71.04986	2.9
71.08622	2.5
74.76949	2.0
79.05482	18.9
81.03394	7.9
81.07048	24.5
83.05004	12.6
83.08616	6.9
85.06528	4.1
88.72235	2.6
89.06023	20.1
91.05492	32.8
93.07050	25.0
95.04968	38.0
95.08617	13.8
97.06501	7.4
99.04491	3.2
103.05449	3.8
105.07030	33.4
107.04993	2.8
107.08599	23.7
109.06516	13.6
109.10182	14.0
111.08070	4.7
115.05464	3.0
117.07025	15.2
119.04933	3.5
119.07810	2.7
119.08585	30.9
121.06522	9.1
121.10152	17.1
123.04414	2.9
123.08092	15.0
123.11713	2.7
124.29850	2.6
125.05992	12.1
128.06213	12.0
129.07019	15.9
130.07770	6.7
131.08560	23.4
133.06447	6.8
133.08601	10.0
133.10130	18.0
135.08060	15.8
135.11737	6.7
137.05988	6.8
137.09599	3.9
138.10384	4.1
141.06973	6.1
142.07803	13.1
143.08554	44.5
143.09593	1.7
144.09331	6.8
145.06461	5.4
145.10139	29.5
147.08044	11.8
147.11708	7.9
149.05962	5.0
149.09612	6.2
151.07530	5.2
153.07045	3.8
155.08580	13.6
156.09341	11.7
157.10159	24.0
158.10924	10.9
159.08081	12.6
159.11720	14.5
160.08777	3.5
161.09596	10.4
163.07426	4.5
163.11198	16.7
165.06963	7.4
165.09016	2.6
167.08536	7.1
167.10518	2.4
168.09303	4.5
169.10136	13.8
170.10858	4.2
171.08032	5.6
171.11685	15.3
172.08905	2.5
173.09601	12.8
173.13252	8.4
175.11183	7.5
177.11224	6.0
179.08461	7.9
180.09323	4.0
181.10184	15.8
181.12234	10.0
183.08073	5.3
183.11697	14.6
185.09610	7.5
185.13254	4.8
187.11200	8.1
189.12701	5.8
191.14308	4.1
193.10144	9.8
193.12181	3.8
194.10873	5.9
195.11674	16.0
197.09595	5.9
197.13281	8.4
199.11203	11.3
199.14810	5.0
201.09062	5.6
206.10970	5.6
207.11710	11.2
207.13664	2.9
209.13272	12.2
211.11121	8.1
211.14777	5.8
213.12762	4.4
215.10637	5.9
215.14368	3.0
219.11728	6.5
220.12579	3.8
221.13254	10.0
221.15288	3.8
222.13921	3.9
223.11218	5.8
223.14828	5.9
225.12645	6.1
227.14322	5.8
229.12231	4.5
231.11786	4.9
233.13263	6.0
235.11148	4.7
235.14813	8.5
239.14348	3.2
241.12209	3.3
245.13251	3.7
247.14740	3.6
249.12730	2.9
253.16016	2.8
259.14694	3.4
259.17139	3.6
261.16425	3.2
263.14359	4.8
265.15930	4.4
267.15982	3.6
271.17035	5.7
273.18561	15.5
277.15845	5.3
286.19339	3.1
291.21133	2.3
305.17471	18.9
325.21219	3.1
331.19131	13.6
337.21539	6.6
337.27399	4.7
352.23950	41.7
357.20715	2.6
383.88632	2.8
384.22961	36.7
405.12750	2.7
415.25616	6.5
476.29193	25.8
503.37610	3.3
522.33411	6.3
529.38037	4.3
539.23260	2.8
614.30725	5.6
614.39435	100.0
637.81256	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	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48117	0.4
55.05510	1.2
57.06822	0.7
57.07081	6.5
57.49206	0.4
58.06598	1.7
65.03944	0.4
67.05502	1.9
68.05028	0.4
69.03436	0.5
69.07060	0.7
69.22359	1.1
69.22760	3.6
70.06596	14.8
70.69717	0.4
70.91001	0.5
71.08643	3.1
72.08147	0.5
74.06094	0.5
77.33347	0.4
79.05489	0.8
81.07062	1.4
83.04987	0.5
84.32676	0.4
85.10197	0.5
86.06084	0.4
88.07637	17.5
91.05488	0.7
93.07059	1.1
95.08630	1.5
98.21449	0.9
102.09187	13.7
105.03387	0.7
105.07003	0.8
107.08594	1.1
109.06560	0.6
109.10174	0.6
119.08586	0.9
121.10144	0.7
125.05928	0.5
129.26904	0.4
131.08606	0.6
147.04428	0.6
149.02353	39.8
149.03342	1.8
154.94206	0.8
172.95265	0.6
193.04976	43.0
203.72368	0.4
204.78677	0.4
212.23827	0.6
219.06482	1.0
225.05540	1.1
225.42085	0.4
233.15311	0.5
256.26367	38.1
263.50958	0.5
269.04520	1.9
297.04016	1.9
313.07056	2.5
335.25629	2.3
336.26263	0.4
341.06604	8.6
358.16693	0.8
359.07718	6.3
385.09210	42.8
386.09760	0.6
485.20258	0.5
541.00262	0.6
596.30609	0.5
614.33234	100.0
615.33655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46808	0.5
55.05497	0.7
57.07051	0.7
59.13746	0.5
60.35406	0.5
67.05492	0.7
68.26964	0.5
69.07043	0.6
69.33521	1.5
69.33936	3.2
71.08590	0.7
79.05499	0.7
81.07039	1.0
85.10168	0.7
91.05473	0.5
93.07043	1.2
95.08585	1.4
98.98454	1.4
109.10195	0.5
118.06561	3.9
119.08616	0.6
125.00013	5.7
132.08073	1.6
133.08893	0.6
140.22131	0.5
144.08098	11.6
146.09625	1.4
158.09616	4.9
159.10403	1.7
160.11263	1.0
162.09135	2.3
172.11165	3.4
176.10713	1.6
176.14349	23.1
178.51001	0.6
190.12309	1.3
202.15916	100.0
203.16165	0.7
220.16977	89.4
221.17337	0.8
300.13611	60.7
307.26184	0.7
316.31668	0.5
362.26266	0.7
518.27209	0.6
533.56958	0.6
594.39227	6.0
612.40259	36.8
613.26306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01851	0.4
55.05491	0.8
56.05000	0.3
57.03415	1.0
61.02931	2.3
65.65250	0.3
67.05471	1.3
69.03435	2.7
69.07033	0.7
69.89590	1.7
70.06610	1.7
71.04974	0.6
72.08144	0.3
73.02924	1.8
74.06037	0.5
79.05468	1.0
80.04977	0.4
81.03391	1.4
81.07054	1.9
83.04959	0.6
83.08569	0.3
84.08152	0.5
85.02909	2.1
86.09691	0.6
87.04476	10.2
91.03932	1.0
91.05460	1.1
93.07021	0.8
95.04925	0.4
95.08604	0.8
97.02856	1.5
97.05959	0.3
97.06537	2.6
98.97567	0.4
99.04404	0.6
101.02354	0.6
105.06992	1.3
106.06567	3.2
107.04916	0.4
107.07310	0.4
107.08550	0.6
109.02821	0.4
109.10131	0.6
117.05733	0.5
118.06561	3.8
119.08473	0.6
120.08101	0.9
121.10111	0.7
123.11666	0.4
127.03921	1.0
130.06508	0.8
131.07327	2.4
132.08072	1.4
133.08862	0.6
133.10143	0.6
134.09621	1.0
137.05960	0.9
144.08098	0.3
146.09627	3.8
147.04390	1.4
148.11171	0.4
160.11224	4.8
161.05887	0.4
163.03940	0.6
167.07037	0.8
172.11244	0.7
173.02322	0.5
173.11960	0.4
174.12781	0.7
178.57979	0.4
193.08621	1.2
194.08945	0.3
204.10272	0.5
215.06989	0.8
216.07178	0.5
218.11856	0.6
225.15167	0.4
232.13348	1.4
244.20607	6.1
250.05965	0.7
259.09625	0.9
268.19254	0.4
272.20111	48.2
273.20535	0.6
290.21170	7.8
299.82410	0.3
303.64178	0.3
334.04364	0.4
346.23749	7.8
358.23825	1.4
364.24777	7.3
376.24808	10.1
383.16589	1.0
392.12201	0.9
419.11395	0.8
420.11633	2.6
432.27899	0.5
442.61780	0.4
450.28571	14.1
507.73425	0.4
519.17426	0.3
594.32971	0.6
612.33844	100.0
613.34167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01880	2.4
55.05509	2.4
56.05032	1.4
57.03440	2.5
60.04529	18.0
61.02923	1.9
67.05513	4.3
68.99796	0.9
69.03432	15.2
69.07076	1.7
70.06590	3.4
71.04996	2.3
71.57116	0.7
72.04511	2.5
73.02923	3.6
74.06067	0.5
75.12482	0.4
79.05524	2.1
80.05029	4.3
81.03424	12.1
81.07061	5.0
82.06582	1.4
83.08617	1.0
84.04514	1.7
84.08162	0.6
85.02909	20.1
85.06520	0.4
86.03259	0.5
86.06079	1.1
87.00836	5.8
87.04465	1.1
90.05553	2.6
91.03981	0.5
91.05490	1.2
93.07033	3.2
94.06580	3.9
95.04969	1.1
95.08604	4.6
96.04503	2.1
96.08167	0.9
97.02893	6.1
97.06555	0.7
98.06046	2.3
98.09708	0.5
98.97612	0.7
99.04462	4.3
100.07629	0.4
102.05568	0.7
103.03984	0.9
105.01862	2.8
105.07053	1.0
106.06550	1.0
107.08611	0.8
108.08054	1.1
109.02888	10.3
109.03590	0.7
109.10174	1.7
110.06015	2.5
110.07198	0.5
114.05523	1.6
116.07111	1.1
117.01859	1.0
119.08606	0.9
120.08105	1.9
121.10161	1.4
122.06050	1.4
123.11777	0.6
124.07667	0.7
127.03932	14.0
128.04251	0.4
129.01894	1.2
129.10291	0.6
131.08585	0.7
132.06570	14.6
133.10161	0.8
134.09665	0.5
135.11722	0.8
136.07579	1.5
140.07065	1.1
145.04930	3.1
146.09668	0.5
147.02914	0.9
147.04494	0.5
158.08220	0.8
159.02887	3.3
187.05981	0.6
209.08073	0.5
224.20206	0.8
226.21687	1.1
231.05013	1.0
236.20642	0.4
244.20692	1.3
250.21715	1.4
254.17685	1.2
256.20688	0.6
262.21646	6.5
264.23285	2.1
268.22729	4.8
274.21664	4.6
278.21335	0.5
280.20096	0.4
280.22629	2.3
287.05502	6.0
288.05844	7.3
292.22672	7.1
300.06018	0.5
310.23740	7.8
328.21225	1.0
328.24792	13.7
328.28494	0.8
329.06766	0.5
330.07083	0.7
344.24570	0.6
346.25906	15.0
350.99173	0.5
362.25342	1.1
363.25940	0.6
364.26941	21.6
370.25937	0.9
374.21698	0.9
414.09106	0.5
449.10776	0.8
450.11151	2.0
514.29999	0.7
526.32129	1.5
532.30750	0.5
550.32324	3.1
568.33264	11.5
576.29962	1.2
594.31226	8.9
612.32239	100.0
613.32544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64400	0.5
55.05495	2.3
56.59646	0.7
58.99857	2.2
66.17860	0.7
67.05505	2.9
69.07050	1.5
71.16159	1.0
77.00510	0.9
77.00913	9.4
79.05495	4.9
81.07043	2.7
83.08588	1.0
91.05486	4.1
93.07045	6.7
95.01953	6.4
95.04948	0.8
95.08604	3.2
95.35184	0.6
97.10148	0.7
100.02489	1.2
105.07040	3.0
107.08616	2.9
109.10162	1.3
117.07002	1.6
118.03519	0.8
119.01981	0.6
119.08566	3.6
121.10122	2.6
123.11747	0.7
129.06985	0.8
131.01901	8.2
131.08557	1.5
133.10098	1.5
135.11586	1.3
136.06148	1.0
141.03896	0.6
145.10130	1.9
147.11679	0.7
149.02928	2.0
154.03459	0.7
155.05605	0.8
157.10075	0.9
159.05019	0.8
159.11708	1.4
161.06332	0.7
173.06581	1.3
173.13362	0.6
182.58167	0.6
187.08134	1.9
191.07706	1.0
193.10719	1.0
195.11873	0.7
197.10263	1.7
199.08142	1.2
201.09688	2.3
201.11331	0.7
205.09085	1.0
205.10802	1.5
207.12331	0.9
209.10132	1.2
213.09712	1.0
215.11218	5.5
217.10712	0.7
223.11784	2.1
225.13216	0.9
227.11230	1.5
227.17792	0.8
229.10866	1.4
229.12883	2.8
231.12308	1.0
233.12198	1.0
243.12320	0.8
243.14380	1.5
245.14055	0.9
247.11853	2.9
247.13971	1.0
249.13379	1.3
257.13763	0.7
261.13269	3.1
269.17615	0.7
275.14877	2.4
287.14963	1.3
289.16690	1.4
289.19638	0.7
293.15601	0.8
295.15308	1.0
297.16986	7.5
299.18558	49.6
300.18948	1.1
301.16614	1.2
301.20175	3.1
313.16461	3.4
315.18079	28.0
317.19623	100.0
318.19794	1.6
319.21201	5.7
327.18002	0.9
329.19687	1.3
331.20914	0.9
333.18393	0.8
334.17609	1.9
335.20709	39.4
336.20972	1.0
338.19724	3.4
340.21246	19.6
341.19482	0.9
343.21268	1.2
347.08386	0.6
351.18161	0.8
355.21304	1.1
357.22650	1.7
358.22400	3.3
367.20926	0.7
369.22726	1.0
371.24167	1.0
381.22717	1.1
383.24152	1.7
385.25995	1.0
391.24466	1.1
395.24393	1.7
408.46371	0.6
409.25772	2.1
423.27362	1.0
436.23801	0.7
471.29565	0.7
505.31418	1.4
557.38397	0.8
575.39447	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	611.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01880	4.3
55.05521	18.6
57.03438	5.3
57.07077	9.3
61.02924	3.8
67.05511	32.1
69.03442	11.9
69.07072	46.9
70.06598	10.0
71.05000	5.8
71.08632	3.5
71.56891	2.4
79.05496	23.0
81.03416	8.8
81.07064	100.0
83.05002	3.0
83.08621	21.7
84.08148	4.5
85.02914	21.4
85.06549	15.3
86.09737	3.6
87.00821	8.1
91.05476	13.9
93.07058	37.9
95.04974	5.4
95.08611	74.9
97.02904	9.0
97.05921	3.2
97.06541	44.7
97.07145	4.0
97.10186	7.3
99.04469	2.6
99.08099	8.1
105.01862	10.6
105.07032	17.6
107.04959	3.6
107.08598	41.0
109.02882	6.4
109.10165	46.2
110.07214	2.6
111.08085	17.7
111.11757	7.8
111.56667	2.5
118.90816	2.3
119.04938	2.9
119.08605	11.0
120.08121	2.9
121.10151	24.5
122.90569	2.7
123.11720	42.9
125.09650	5.0
125.13269	3.2
127.03917	10.8
129.06996	3.2
131.04980	3.5
131.08594	3.8
133.06465	4.0
133.10130	9.1
135.04488	2.9
135.08057	2.8
135.11710	21.0
137.05946	5.0
137.13263	25.2
139.11194	5.6
141.12854	2.8
145.05002	5.0
145.10173	3.3
147.04424	8.0
147.11691	10.8
149.13290	23.8
151.14931	4.0
153.12767	17.5
155.14333	2.4
159.02917	3.1
161.02345	3.1
161.13289	5.9
163.03935	6.2
163.14847	10.8
165.12778	9.0
165.16455	3.7
166.05098	2.9
167.07127	4.9
167.14383	5.3
171.13812	3.3
173.02388	8.0
175.14900	5.7
177.16394	8.3
179.18079	3.1
181.85187	2.5
183.13741	3.7
187.04007	5.9
187.11388	2.3
189.16348	3.4
191.18018	5.2
201.14777	2.5
203.17934	3.2
205.19524	6.0
215.07045	8.4
217.19591	10.7
221.05998	2.7
231.05054	3.8
235.20535	8.9
249.05606	8.9
253.21817	2.9
259.09589	5.9
261.25812	3.6
265.04993	5.5
267.06458	3.3
272.20056	3.2
273.25717	10.8
277.04852	3.8
279.06494	3.6
279.26877	7.6
291.26825	44.8
293.04440	3.2
295.06036	9.5
297.27866	6.2
305.04376	3.8
309.27914	35.0
313.07114	2.5
323.05530	9.5
327.29077	19.9
345.24695	3.0
362.25107	4.6
363.25943	4.6
363.87030	2.5
375.08594	4.8
391.11758	8.4
401.10202	3.9
415.10464	2.4
418.81415	2.7
419.11310	50.7
433.23911	3.3
577.59204	2.4
581.19147	2.3
593.16528	5.1
611.20648	2.6
611.30951	14.0
612.33923	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	611.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	3.8
55.05518	16.0
56.96559	3.6
57.03439	5.8
57.07070	8.2
59.04982	3.5
59.05812	2.0
59.83870	2.2
67.05172	2.6
67.05505	28.8
69.03434	18.4
69.07068	60.4
69.73957	10.4
70.06578	5.9
71.05010	10.2
71.08639	5.5
79.05489	17.2
81.03439	12.7
81.07056	100.0
83.04999	2.8
83.08616	26.8
85.02914	30.5
85.06526	12.2
86.09700	3.0
87.00381	2.3
87.00818	13.5
89.05987	2.4
91.05455	10.4
93.07049	30.0
95.04967	5.1
95.08609	78.0
97.02908	12.8
97.06528	28.4
97.10169	10.8
98.97630	3.2
99.04447	5.9
99.08091	8.0
105.01890	12.2
105.07028	17.3
107.04922	2.4
107.08601	41.6
109.02865	10.9
109.06484	3.2
109.10158	50.5
110.10480	2.5
111.08078	17.5
111.11707	10.1
115.07565	2.9
119.04928	3.1
119.08584	14.3
121.10142	27.6
123.11707	45.7
125.09639	2.8
125.13254	3.5
127.03925	20.6
131.08617	4.1
133.10120	9.4
135.08069	2.4
135.11696	27.3
137.09660	2.8
137.13249	30.7
139.11195	5.0
145.04944	5.8
145.10091	3.5
147.04398	6.9
147.11662	11.4
149.09619	2.4
149.13272	25.3
151.11151	2.9
151.14818	4.9
153.12740	16.2
155.14331	9.2
159.11674	3.4
161.13263	6.8
163.14813	14.2
165.12762	11.6
167.07091	3.7
167.14301	3.1
173.02396	2.7
175.14760	2.7
177.16382	6.6
183.13814	6.2
187.03888	3.2
189.16440	2.5
191.17960	7.4
201.14790	2.6
205.19502	5.7
217.19513	5.6
223.20493	12.9
231.04916	3.7
249.05618	3.2
250.09651	3.4
259.09650	4.1
261.25757	4.5
265.05048	2.5
273.25732	17.6
277.04904	3.0
279.26837	11.3
285.10168	3.0
289.05283	5.8
291.26813	54.0
295.05908	5.5
297.27924	6.5
299.05753	4.1
305.04242	2.8
309.27866	39.5
323.05640	4.8
327.29004	17.5
331.12234	4.0
345.23981	3.5
391.11868	3.3
399.10938	4.3
399.29089	4.3
401.10092	3.9
419.11182	22.5
449.21661	2.8
503.30231	2.6
521.31262	7.1
539.32349	5.0
593.16479	3.7
593.29327	10.3
611.30261	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
67.05504	4.3
69.03436	1.1
69.07079	1.5
70.06585	0.9
71.08611	0.8
71.21608	1.1
71.21951	2.0
79.05497	2.8
80.77643	0.8
81.03431	2.4
81.07063	3.5
83.05003	1.1
83.08611	1.0
85.02921	1.8
91.05454	2.0
93.07074	4.4
95.04997	1.1
95.08623	1.7
97.02917	0.9
98.98476	0.9
105.07060	1.9
106.36741	0.9
107.08602	1.2
109.10183	1.6
111.08109	0.9
113.00838	0.9
119.01947	1.1
119.08595	1.2
129.07053	1.0
131.08560	1.0
133.10123	1.7
133.96576	0.8
143.05566	3.0
147.11693	1.8
149.09662	1.1
161.03055	1.0
161.06660	1.1
163.03851	0.9
185.04295	1.1
185.06578	2.1
197.06642	1.4
219.94083	1.1
227.05338	1.6
243.04761	4.1
245.06311	1.3
257.32144	0.9
259.15414	2.5
273.16748	1.3
275.18564	24.8
277.16486	1.4
277.21399	1.1
287.03809	3.8
293.19846	1.3
317.19562	1.9
327.22952	1.6
337.14282	1.0
345.23981	4.9
347.20627	1.0
351.25162	4.1
355.15448	2.0
363.25082	5.6
369.16742	1.5
405.24884	9.2
413.34335	1.1
417.25073	1.8
431.35876	1.5
433.24481	1.3
437.24850	2.4
439.22324	2.9
477.82404	1.0
479.26114	4.6
481.24133	1.4
489.28314	2.4
507.29367	5.8
523.25153	17.4
525.23096	1.6
525.30182	5.1
531.29248	6.9
549.30334	12.5
567.31348	15.2
575.28290	29.4
593.29376	100.0
594.30029	2.0
611.30383	92.4
612.30499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22881	0.4
52.51558	0.4
55.01843	0.4
55.05482	0.7
56.67621	0.4
63.71159	0.5
67.05469	0.8
69.03406	0.5
69.07048	0.7
69.82614	1.2
69.83010	1.0
71.04956	1.5
79.05457	1.2
81.03391	0.8
81.07035	1.6
85.02879	0.9
91.05428	1.1
93.07001	1.3
95.04955	0.5
95.08590	1.3
97.02881	0.5
97.06549	0.5
98.97002	0.5
105.07013	0.7
107.08569	0.9
109.10149	0.7
119.04858	0.8
119.08557	0.5
123.96451	0.4
131.46159	0.5
133.10060	0.8
135.11653	0.7
147.04419	1.1
147.11720	0.9
148.04762	0.5
149.13268	0.6
180.54735	0.4
201.88626	0.5
203.05266	2.6
215.07169	0.6
243.08681	0.9
245.06303	6.5
250.09529	0.4
275.18439	9.5
277.17783	2.2
280.11630	0.5
280.98462	0.5
287.03683	2.4
289.05301	63.7
293.19724	1.3
315.40707	0.5
327.22485	1.4
335.20676	2.0
345.24020	28.2
347.25671	1.9
363.25095	1.1
387.23828	0.7
405.24942	2.0
413.78238	0.6
449.23749	1.3
491.25015	1.6
550.97534	0.5
567.31396	7.6
593.29407	2.8
611.30396	100.0
612.30786	1.1
633.25006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
55.01866	1.7
57.03425	3.5
61.02922	2.2
67.05500	1.4
69.03403	1.3
70.06596	1.5
70.24558	3.7
71.68027	0.9
72.08195	1.3
73.02910	1.1
74.58699	1.0
79.05476	1.1
81.03398	3.3
84.04502	1.8
84.08140	1.1
85.02905	7.6
93.03390	1.7
97.02934	1.6
98.97552	1.1
103.03949	4.0
107.04974	1.8
109.02859	2.7
112.49784	1.0
120.08095	1.4
121.02858	1.8
121.59837	1.2
130.05032	1.6
131.04938	1.3
131.08698	1.0
135.04434	7.1
137.02345	30.5
139.03807	1.2
143.04846	1.1
145.02873	1.4
147.04402	3.4
147.07635	2.4
149.02460	1.1
159.04390	1.4
161.02368	3.9
161.05991	1.4
163.03903	3.5
165.01851	2.3
171.04356	1.9
173.02258	1.5
175.03908	2.1
176.00974	1.7
177.01874	5.3
177.05428	2.3
179.03383	3.1
187.03931	2.4
189.01830	10.8
190.02522	1.8
191.03407	5.9
195.02901	3.8
199.03798	1.3
201.01984	1.6
201.05498	2.1
203.03430	11.2
205.04945	2.6
207.02919	9.7
211.04018	1.7
215.03384	1.9
217.04947	4.6
219.02979	6.5
221.04422	2.6
227.03427	2.4
229.04970	5.3
231.02930	1.9
233.04425	3.9
235.06123	1.4
239.03456	1.9
247.06018	1.3
255.02785	3.9
257.04486	2.3
273.04016	1.8
279.06464	1.2
283.05933	3.5
284.06808	4.2
285.03885	1.8
287.05530	14.6
295.06018	7.4
296.06708	3.0
297.07571	4.6
299.05487	10.8
300.06360	3.1
307.05988	2.1
308.06638	1.5
309.07642	4.4
310.04745	18.7
311.05521	82.0
312.06134	7.5
313.07086	10.1
314.07730	1.4
321.07587	2.4
323.05551	49.4
324.06284	16.0
325.03577	1.8
325.07101	16.1
329.06598	12.3
333.07385	1.5
335.05450	5.4
335.08987	2.6
336.06384	4.8
337.03174	2.0
337.07059	29.5
338.07907	12.3
339.04895	1.6
339.08636	5.4
341.06577	96.2
342.06973	2.2
348.06302	1.4
349.06924	8.8
350.07648	1.2
351.04941	2.4
351.08746	15.0
352.05789	3.7
353.06577	59.7
355.08209	2.7
361.07144	2.6
363.08636	11.5
365.06534	33.5
365.10818	2.5
367.08231	21.8
369.05954	1.9
371.07669	19.7
373.07080	2.9
375.08774	1.4
377.06421	17.8
377.10428	2.2
379.08194	7.4
381.09860	11.4
383.07617	4.1
389.06540	5.9
391.08170	9.6
393.05804	2.3
395.07639	53.0
401.06525	3.6
403.08200	2.7
405.09689	4.3
407.07675	30.2
409.09076	1.3
413.08417	1.8
417.09659	3.2
419.02231	1.4
419.07571	22.2
419.11761	1.1
425.08713	40.0
431.08475	3.7
433.08942	3.3
437.08731	19.7
443.09802	33.8
447.11124	1.4
449.10779	10.9
455.09827	28.2
461.09674	6.0
473.10843	100.0
479.09949	5.8
485.08728	1.4
491.11908	22.8
497.10794	22.7
503.09641	2.6
509.10596	3.5
515.11896	20.0
521.10876	5.4
527.11938	27.2
539.11920	27.6
545.12793	11.5
557.12976	29.3
575.13983	28.0
593.14954	15.3
611.15613	4.1
611.31030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67312	2.3
51.81466	2.2
53.03940	5.2
55.01870	2.8
55.05512	19.6
56.96557	9.4
56.96822	2.2
57.03422	5.9
57.07088	14.2
61.02919	5.3
67.05167	4.0
67.05509	47.6
69.03425	9.5
69.07069	46.3
69.85085	13.2
70.06577	4.8
71.04977	4.6
71.08623	10.2
73.04728	2.2
75.02356	2.3
79.05496	26.4
81.03429	12.9
81.07063	98.8
82.75614	2.4
83.04995	4.8
83.08632	32.5
85.02908	25.8
85.10168	3.7
87.00825	12.6
91.05460	17.1
93.07050	53.1
95.04945	5.8
95.08615	100.0
97.02912	11.6
97.06511	6.4
97.10172	20.3
98.20798	3.5
98.97585	17.3
99.04449	6.0
105.01878	18.1
105.07038	34.2
107.08595	38.8
109.02886	6.5
109.06532	4.6
109.10164	58.9
110.97605	2.5
111.08047	3.9
111.11703	8.2
112.99106	5.5
116.98635	6.0
119.08580	19.0
121.06495	2.5
121.10149	36.9
123.08115	4.2
123.11723	29.7
125.09695	2.7
125.13288	4.4
127.03914	15.0
133.10127	13.5
135.11707	30.5
137.09604	7.7
137.13284	19.6
139.11185	3.5
140.00151	2.5
143.08554	2.8
145.04965	6.7
145.10100	3.1
147.04417	4.7
147.11690	30.8
149.13274	30.6
151.11226	3.0
151.14799	8.0
153.12691	3.1
155.10605	4.2
158.99654	8.5
159.02939	3.2
159.11684	3.8
161.13263	13.2
163.14844	20.3
165.12752	6.9
165.16347	5.5
175.14841	8.4
177.16354	10.2
179.17850	3.1
183.13785	4.1
189.16435	7.0
191.17958	7.8
203.17937	10.1
217.19536	9.6
231.05048	3.6
247.24280	3.1
249.06090	2.8
273.15329	2.9
273.25806	52.6
274.15594	4.5
289.18124	2.3
291.26874	36.8
305.02670	6.5
306.02869	2.7
309.27899	17.6
350.23776	3.3
363.21677	3.4
381.22675	6.6
381.58502	2.4
404.21832	4.0
436.20786	5.3
478.21838	9.5
524.26093	5.7
566.28290	7.5
574.25439	3.5
592.26434	9.0
610.27313	31.1
611.30249	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	610.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55883	0.5
53.03954	3.2
55.01866	2.6
55.05501	1.8
56.05032	1.5
57.03429	2.4
60.04528	19.9
61.02929	1.7
67.05501	4.1
68.05027	2.6
68.99799	1.0
69.03078	1.0
69.03432	15.7
69.07066	1.8
70.06588	2.5
71.00874	1.3
71.01307	1.3
71.04994	5.0
72.04511	1.6
72.08150	0.8
73.02908	2.6
74.06055	0.7
79.05493	2.6
80.05007	4.1
81.03419	14.5
81.03858	1.1
81.07057	3.9
82.06590	1.3
83.04990	1.7
83.08630	0.8
84.04480	1.2
85.02903	16.3
86.06072	1.9
87.00826	7.0
87.04474	0.9
90.05548	2.0
91.03962	0.9
91.05495	2.0
93.07041	3.3
94.06576	4.2
95.04972	1.1
95.08610	4.0
96.04514	3.3
96.08133	0.6
97.02894	7.1
97.06540	8.2
98.06079	2.1
99.04469	4.5
99.84239	0.6
101.01312	0.5
103.13048	0.6
105.01863	2.7
105.07059	1.3
106.06519	0.7
107.08578	1.6
108.08124	0.9
109.02878	9.0
109.05260	0.5
109.10165	1.0
110.06039	2.5
111.04469	0.6
111.08091	0.7
114.05501	1.4
115.03941	0.8
116.07110	0.6
117.01932	0.8
119.08590	1.5
120.08121	2.0
121.10149	1.3
122.06051	1.6
122.09711	0.6
123.08125	0.6
125.02352	0.6
127.03915	11.7
129.01874	1.5
132.06567	19.5
132.08057	0.8
133.10132	0.8
135.11652	0.6
136.07556	0.7
136.11246	0.6
137.05966	0.7
145.04932	2.7
147.03038	0.7
159.02867	3.7
176.57883	0.6
187.06119	0.6
190.15837	0.7
203.26952	0.5
211.16902	0.8
218.15364	1.1
220.16948	0.7
224.20154	1.6
234.18539	0.9
236.20134	1.1
237.18506	3.6
238.21794	0.7
244.20546	0.6
248.20195	1.7
250.21643	0.8
252.19601	1.2
260.20096	8.9
260.22559	0.6
262.21680	4.2
266.21191	5.5
272.20087	7.1
278.21167	3.0
280.22757	0.7
290.21158	14.2
292.69547	0.7
308.22211	7.9
326.23257	15.6
328.24969	1.0
344.24316	19.6
344.28546	1.1
346.25824	0.6
362.25372	24.7
368.29825	0.5
375.88675	0.6
499.66885	0.6
524.30701	0.8
548.30768	3.4
566.31744	14.6
574.28748	1.2
592.29651	10.6
610.30701	100.0
611.30603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01884	2.8
55.05511	2.4
56.05029	1.4
57.03443	3.0
58.06592	0.6
60.04527	17.8
61.02927	1.4
67.05510	3.4
68.05046	2.7
68.99785	1.2
69.03432	15.7
69.07072	1.4
70.06587	1.9
71.04992	2.6
72.04510	1.9
72.86115	0.4
72.90899	0.4
73.02926	3.0
74.06072	0.9
77.66353	0.4
79.05497	3.1
80.05017	5.5
81.03419	12.3
81.07059	4.0
82.06580	1.8
83.04996	2.1
83.08591	0.7
84.04510	1.5
84.08154	0.7
85.02910	15.5
85.06544	1.0
86.06072	1.4
87.00831	5.6
87.04468	0.7
90.05545	2.9
91.03963	0.7
91.05485	2.6
92.04999	0.8
93.07050	3.0
94.06582	3.9
95.04980	1.1
95.08611	2.8
96.04500	1.6
96.08127	0.8
97.02896	6.7
97.06553	1.3
98.06040	2.6
98.09695	0.7
98.20714	1.0
99.04456	4.9
102.05586	0.6
103.03953	0.5
105.01887	2.5
105.07040	1.8
106.06578	1.4
107.07339	0.5
107.08596	1.1
108.08119	1.1
109.02880	10.9
109.10172	1.6
110.06077	2.6
111.08080	2.0
114.05548	1.9
115.03941	0.6
116.07129	0.6
117.07059	0.5
119.08589	1.1
120.08124	1.7
121.10128	0.7
122.06042	1.6
123.08051	0.5
123.11759	0.6
127.03928	13.6
129.01869	1.3
131.08539	0.8
132.06569	15.9
132.08069	0.7
133.10149	0.6
134.09685	1.1
135.11726	1.0
136.07584	0.9
137.09627	0.5
145.04980	2.1
145.10168	0.9
159.02893	3.0
162.12802	0.7
165.12721	0.5
174.12805	0.5
179.14294	0.9
184.18304	0.4
184.47510	0.6
187.06125	0.6
193.16003	0.7
194.15448	0.6
204.13846	1.2
206.15559	1.1
211.17038	1.3
213.33226	0.5
219.17432	0.5
224.20139	1.9
232.17024	1.6
234.15068	1.1
234.18434	0.6
237.18533	2.6
238.21744	1.1
242.18939	0.7
244.17009	0.6
248.20184	1.7
252.19669	0.7
260.20111	8.5
262.18427	1.0
262.21674	2.6
262.24127	0.4
266.21191	4.5
270.42526	0.4
272.20135	4.8
278.21127	3.6
280.22928	1.0
284.22330	1.1
287.05585	0.6
290.21158	13.8
290.24213	0.9
298.20102	0.5
308.22247	6.5
326.23245	10.7
337.11362	0.5
344.24319	14.9
362.25363	34.0
386.25623	0.9
404.26486	1.1
449.11261	0.6
493.43988	0.5
524.30640	1.4
536.89624	0.5
548.30646	2.6
566.31787	16.4
566.40674	1.0
574.29034	1.1
592.29492	9.4
610.30707	100.0
611.31134	1.8
617.43805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12928	1.0
64.04470	1.0
71.57475	1.5
73.04758	52.1
81.07041	1.4
91.05801	66.4
93.03716	1.4
93.07072	1.3
93.53262	1.0
95.08607	1.7
114.07379	14.8
141.98209	1.1
149.04501	7.2
154.58989	1.2
167.05568	23.6
190.07181	1.9
221.08388	5.2
225.04256	5.4
239.09517	34.0
266.99976	8.8
268.97821	15.3
281.05090	2.8
283.02988	4.5
285.00983	35.1
299.06165	29.1
303.02219	1.6
326.96295	1.3
344.97485	6.6
355.06998	100.0
356.06937	1.7
371.10068	3.5
373.08069	8.8
400.98770	2.1
402.96594	5.8
415.03708	5.8
418.99594	8.7
424.37363	1.1
489.05597	3.7
541.40814	1.3
609.29791	2.0
610.17932	2.8
610.29865	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01863	1.8
55.05513	11.0
57.03432	2.8
57.07064	1.5
65.03930	0.7
67.05509	19.6
67.27552	0.7
69.07069	9.6
69.27536	0.8
71.04987	0.7
71.57788	0.9
79.05491	13.8
81.07052	21.1
83.08606	4.6
85.06533	1.3
91.05476	10.7
93.07046	13.9
95.04970	1.1
95.08612	16.7
97.06538	2.2
97.10169	2.7
97.87380	0.6
98.20783	0.7
99.08109	0.9
105.07036	11.6
107.08598	9.6
109.06517	0.8
109.10155	6.6
115.05466	1.3
117.07024	8.0
119.08577	9.9
121.10152	6.6
123.08043	0.7
123.11753	1.5
128.06209	2.4
129.07005	8.9
130.07771	0.8
131.08562	11.9
133.10141	8.7
135.11731	3.3
137.13280	1.0
141.06978	4.3
142.07776	1.6
143.08571	13.3
145.10121	12.5
147.11707	5.2
149.13239	1.3
153.06918	1.2
154.07800	1.0
155.08566	11.4
156.09331	1.2
157.10139	12.8
159.11694	8.4
161.13295	3.2
163.87453	0.8
165.07066	0.9
167.08531	4.9
168.09369	1.2
169.10123	12.4
169.11397	1.1
170.10916	1.1
171.11688	10.5
173.13251	4.9
175.14938	1.3
179.08571	2.2
181.10126	6.7
182.10930	0.9
183.11720	11.5
185.13257	7.8
187.14796	3.7
189.16356	1.6
193.10139	3.7
195.11696	8.0
196.12453	0.9
197.13264	8.8
199.13277	0.9
199.14790	5.2
201.16370	1.5
205.09970	0.8
207.11766	3.1
209.13322	8.0
211.14812	8.2
213.16429	2.4
219.11771	1.5
221.13275	2.7
223.14781	5.1
225.16341	5.1
227.18025	2.2
233.13211	1.5
235.14874	2.1
237.16463	4.0
239.18082	2.9
241.19589	1.5
247.14703	1.2
249.16379	1.7
251.18013	2.1
253.19720	1.2
263.17816	0.8
265.19522	1.4
275.20142	1.8
278.46133	0.8
295.20853	1.0
295.24142	1.2
297.22153	0.8
321.22238	1.3
323.23715	1.6
335.23492	1.1
337.25504	1.0
341.24646	1.1
349.25223	1.3
351.26843	2.1
365.28476	1.9
385.81647	0.8
391.30161	0.9
405.31442	1.0
421.30811	0.9
435.32147	0.9
447.32690	1.0
461.34290	1.2
476.21283	1.3
497.36514	1.0
499.39407	1.6
517.40436	11.2
521.24365	1.0
535.41772	5.5
539.37415	1.4
553.42676	1.2
558.22852	0.9
573.43018	1.4
591.44043	11.7
609.27557	8.7
609.45154	100.0
610.45508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01882	5.9
55.05511	19.3
55.30363	2.2
57.03437	9.1
57.07073	11.7
60.04508	2.6
61.02922	3.9
65.03973	3.4
66.61632	2.2
67.05516	30.1
67.86491	2.2
69.03432	22.7
69.07075	68.2
70.06594	8.1
71.04998	12.2
72.08143	2.2
73.02914	4.3
79.05503	20.7
81.03415	21.4
81.07061	98.1
82.06567	3.0
83.04978	7.0
83.08624	14.9
85.02914	39.2
85.06562	8.2
86.09723	4.2
87.00821	14.2
91.04005	2.8
91.05492	20.9
93.07047	45.3
95.04983	10.1
95.08612	70.7
97.02889	17.5
97.06567	12.8
97.10170	9.5
98.09711	4.1
99.04461	8.7
99.08111	6.5
105.01904	12.7
105.07027	30.8
107.08591	38.7
109.02869	8.8
109.06535	5.9
109.10165	52.5
111.08092	7.9
111.11713	17.4
113.06009	2.7
116.01648	2.7
117.07022	3.9
119.08588	24.2
121.10147	41.6
123.04409	3.6
123.11723	55.1
125.09653	3.1
127.03932	22.1
127.11223	3.3
129.07013	3.4
131.08591	4.2
133.10147	13.3
135.11699	24.1
137.13242	14.2
139.11182	21.7
141.12714	2.8
145.02820	3.6
145.04979	7.0
145.10109	8.8
147.04482	7.0
147.11687	21.0
149.09621	4.1
149.13272	27.8
151.11176	8.1
151.14795	4.1
153.12758	9.3
157.10201	4.0
159.02950	5.8
159.11725	10.8
161.13300	10.4
163.03929	7.6
163.14868	6.3
165.12732	18.6
167.07001	2.6
169.12282	7.6
173.02467	2.7
173.13261	5.5
175.11224	3.6
175.14816	12.6
177.16496	4.3
181.12314	3.1
183.13882	4.7
187.03827	2.9
187.14804	5.9
189.16399	3.8
190.12286	2.7
191.17961	4.7
203.17934	5.2
205.19484	3.3
213.05518	3.8
215.17880	5.3
231.05008	5.2
233.18961	3.3
245.22646	6.4
252.14119	2.6
271.24304	12.2
277.25299	9.2
289.05304	5.0
289.25296	52.7
295.26440	6.6
297.99521	2.8
307.26334	100.0
325.27551	20.1
355.15250	5.7
355.24911	3.0
370.56961	2.4
411.17932	5.3
429.19064	8.6
435.29224	8.9
447.21378	19.7
477.30463	10.6
501.28683	2.7
511.21332	3.5
517.22272	5.1
519.29413	7.5
537.30621	7.1
555.31415	5.4
563.33948	4.7
577.21014	3.2
591.26538	4.5
609.25824	4.2
609.35876	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.0
53.03941	5.3
55.01853	4.3
55.05500	6.2
55.94567	2.0
56.96555	4.3
57.03423	8.3
60.04519	4.2
61.02932	17.5
67.05502	13.3
67.47885	2.0
68.49857	1.7
69.03432	9.7
69.07056	5.9
70.06594	10.4
70.73725	3.9
71.01327	2.0
71.04983	4.9
72.08145	2.7
73.02910	7.5
77.02107	1.7
79.05489	13.3
81.03416	100.0
81.07056	16.5
83.04970	9.7
83.08615	19.0
84.04491	2.7
84.08135	7.5
85.02898	26.3
85.12929	2.0
86.09703	4.5
91.03954	15.7
91.05476	15.3
93.07036	10.9
95.04964	44.9
95.08591	6.7
97.02883	16.3
97.06509	5.9
97.10144	3.3
98.06025	1.9
98.97588	12.4
99.04443	2.9
103.03931	3.0
105.07052	12.5
107.04967	14.0
107.08573	7.1
109.02884	3.2
109.06534	4.6
109.10118	2.1
111.04422	4.0
111.08076	12.0
116.98636	4.7
117.07018	3.8
119.04951	3.0
119.08592	13.3
120.08132	3.0
121.06474	5.1
121.10127	4.6
123.04412	7.6
123.08015	2.4
127.03899	8.2
129.06999	8.5
129.10263	2.2
131.08533	11.2
133.06468	4.4
133.10150	9.1
135.11743	3.0
137.05984	3.4
137.09544	1.9
145.04900	4.2
145.10123	4.2
147.04422	8.8
147.08035	4.6
147.11693	9.7
149.09605	6.2
151.11162	2.1
157.10181	10.0
158.99698	4.5
159.11627	2.3
163.06024	6.9
163.11118	4.8
165.12708	2.4
173.05981	2.2
175.11140	13.7
177.00623	2.2
186.94417	1.7
187.11119	1.7
189.05481	2.4
189.12733	2.4
191.10570	1.8
193.10452	4.0
193.12228	79.7
207.13805	3.0
211.13309	15.4
219.01685	2.0
235.13257	13.7
238.16064	2.0
243.08917	2.2
257.04474	6.7
258.05112	3.1
259.13248	5.4
262.21704	2.1
264.05374	2.2
267.15915	53.2
268.10587	2.7
272.05710	2.4
273.14966	4.3
277.03955	2.8
285.16971	74.0
286.04764	11.3
287.05447	16.1
287.08206	3.3
293.05478	2.0
295.08542	3.9
301.14420	4.1
309.16992	34.8
313.09497	4.2
324.11429	16.7
324.61380	2.4
325.53989	2.0
328.24799	5.9
337.09521	6.2
337.16196	2.8
340.12802	5.9
340.63098	2.5
343.23090	2.3
346.26019	12.0
349.13248	14.8
349.63446	2.4
351.17911	4.3
363.17960	6.7
367.26190	2.6
374.25552	2.5
375.18005	9.1
393.18918	7.5
411.20078	5.8
415.06558	6.1
429.21188	13.4
433.07550	25.5
438.73111	1.9
491.29181	2.4
537.30762	4.7
609.10492	3.4
609.19489	36.0
609.29962	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	609.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93527	0.3
55.05519	0.3
60.92778	0.3
65.36240	0.3
66.22107	0.3
66.64574	0.3
67.05505	0.8
69.20843	3.2
75.30858	0.3
81.07045	0.6
85.98750	0.3
91.05463	0.3
93.07059	0.4
95.08588	0.4
99.53449	0.3
129.06972	0.3
136.11017	0.3
176.27824	0.3
193.58018	0.3
211.12341	0.4
223.12274	0.3
224.13251	0.4
234.98587	0.3
237.13844	0.6
238.14558	0.4
244.98299	0.3
251.15376	0.3
312.00327	0.3
322.36032	0.3
377.17773	1.0
389.18320	0.7
391.19299	1.9
392.20081	1.0
393.20758	0.4
395.21979	0.3
395.26978	0.4
399.16696	0.4
401.17776	0.5
402.19843	0.4
403.19537	0.8
404.20874	0.8
405.16217	0.4
405.21091	2.3
406.21667	2.3
406.37949	0.4
407.22446	2.6
413.18054	0.5
414.18588	0.5
415.19299	1.1
417.21350	0.6
419.22568	1.0
420.23062	0.9
421.23907	3.8
422.24747	0.7
427.19229	0.6
428.20279	0.5
429.21036	1.7
430.21869	1.0
431.22800	0.5
432.18961	0.9
433.20145	1.5
433.24731	0.7
435.21631	0.6
443.22534	0.5
444.23267	0.8
445.20441	1.6
446.21289	0.6
447.17203	2.1
448.18661	0.8
449.23154	0.4
452.22165	0.5
457.23886	1.3
457.44580	0.4
459.21985	1.6
460.23022	0.9
461.19269	5.6
462.20367	2.0
463.21317	1.3
470.21170	0.5
472.23117	0.5
473.19940	1.1
474.20441	1.0
475.21124	7.7
476.21701	5.4
477.22577	4.7
478.24133	0.4
479.24356	0.6
485.23517	6.6
486.20309	2.3
487.20868	0.5
487.25369	0.7
488.22116	1.2
489.22983	4.5
491.24158	0.7
493.21957	0.9
494.27057	0.6
497.23349	0.7
499.21359	4.4
500.21878	1.5
502.24103	0.4
503.24643	6.2
504.21774	0.6
505.22372	1.0
507.23962	1.0
513.22919	1.0
514.23718	0.4
515.24292	6.7
517.22192	1.8
521.26282	3.4
531.23969	10.0
533.24878	0.5
535.23602	1.1
541.22278	0.7
548.24792	0.5
549.24927	2.6
550.25763	4.8
559.23517	5.7
563.26514	1.0
577.24634	2.1
591.26056	12.1
609.27081	100.0
610.27521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.05494	0.3
69.07066	0.2
79.05496	0.2
81.07063	0.3
91.05484	0.3
93.07074	0.2
95.08636	0.3
96.98004	0.1
145.10156	0.2
154.26376	0.2
174.36142	0.2
179.30009	0.2
195.09251	0.2
207.09119	0.2
210.11646	0.2
211.12389	0.3
223.12256	0.4
224.13123	0.3
225.10513	0.2
225.13972	0.3
235.12253	0.3
237.13884	0.5
238.14740	0.3
239.15523	0.4
241.61571	0.2
247.12486	0.2
251.15414	0.3
312.15106	0.2
322.13705	0.2
324.10794	0.2
326.16696	0.2
336.94260	0.2
340.07785	0.2
340.14365	0.2
363.16336	0.2
374.16180	0.2
375.16989	0.2
376.17328	0.8
377.17642	0.9
378.18829	0.3
387.16449	0.2
388.17877	0.3
389.18530	0.9
390.18616	1.2
391.19287	2.2
392.20114	1.5
393.21005	0.8
399.16629	0.3
400.17038	0.5
401.17670	0.8
402.18716	0.3
403.19333	1.0
404.15714	0.2
404.20627	1.2
405.20978	3.7
406.21674	2.0
407.22284	4.0
412.17307	0.3
413.17776	0.6
414.18851	0.5
415.19278	2.2
416.20001	0.8
417.16278	0.3
417.20975	0.7
418.22009	0.4
419.18442	1.2
419.22461	1.5
420.23764	0.9
421.24002	4.5
422.24536	0.6
426.18738	0.2
427.19330	0.9
428.19971	0.8
429.20877	3.1
430.22064	1.6
431.18637	1.0
431.22995	0.7
432.19189	1.0
433.16052	0.7
433.20236	1.4
433.24478	0.8
434.20639	0.5
434.25473	0.3
435.21613	1.1
440.20813	0.3
441.20877	0.6
442.21481	0.7
443.23038	0.9
444.23480	1.6
445.20404	1.3
446.21216	0.6
447.17389	2.7
448.18997	0.7
449.23758	1.0
451.21420	0.6
452.22192	0.5
455.18680	0.2
456.19458	0.5
457.24496	2.4
458.25058	0.5
459.22031	2.5
460.23657	1.5
461.19098	5.5
462.20358	2.7
463.20847	1.8
464.22372	0.3
465.23074	0.3
469.23886	0.2
470.21213	0.6
471.18289	0.6
472.22827	1.4
473.19736	0.7
474.20074	1.1
475.20978	7.7
476.21857	5.8
477.22418	4.0
478.23825	0.9
479.24420	0.7
482.21204	0.2
483.17676	0.2
484.19009	0.5
485.23544	8.7
486.20288	3.4
487.20932	0.7
487.25397	0.7
488.22336	1.0
489.22858	5.8
490.20282	0.4
493.21490	1.1
494.26999	1.0
497.23386	0.5
498.20547	0.4
499.21371	2.6
500.22208	1.6
501.22568	0.3
502.23813	0.5
503.24567	5.5
504.21228	0.3
504.25772	0.5
505.21613	0.2
507.23923	0.6
513.23083	1.2
515.24493	8.0
517.21997	1.1
518.23065	0.4
519.23822	0.5
521.26129	3.3
531.23938	15.2
532.23871	0.2
533.25146	0.3
535.23511	0.8
541.22357	0.8
548.24219	0.3
549.25079	3.0
550.19263	0.1
550.25769	4.6
559.23438	6.8
563.26733	0.3
571.89697	0.2
577.24463	1.4
581.27783	0.3
591.26044	28.3
592.26172	0.4
608.00702	0.2
609.27069	100.0
610.27155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.37291	0.6
52.92480	0.6
55.05497	0.8
56.34348	0.6
57.58179	0.6
67.05505	1.2
69.20724	5.7
79.05491	0.8
81.07066	0.7
82.97729	0.5
85.38435	0.5
87.38364	0.6
93.07046	1.2
94.22025	0.7
95.08563	1.0
97.06560	0.6
98.04607	0.7
133.10263	0.6
391.18970	0.9
404.20535	0.7
415.19238	1.0
419.18369	1.2
429.20734	2.5
430.21661	1.2
431.18777	1.1
433.24246	1.7
434.21301	1.1
443.22766	1.3
444.23141	1.9
447.21964	1.8
449.23608	1.0
458.24936	0.7
459.21600	4.1
460.22589	2.2
461.19324	2.0
461.23761	2.0
462.20099	1.5
463.21167	0.9
472.22580	2.1
475.20718	1.4
476.22134	2.9
477.22803	2.1
485.23358	1.5
487.25034	2.7
489.22989	2.0
503.24319	1.8
519.23798	2.3
521.21539	3.0
531.23944	21.6
532.24420	0.8
549.24921	14.2
591.26355	3.0
608.48145	1.0
609.27032	100.0
610.27448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.5
56.96570	65.9
67.05507	4.8
69.03414	1.5
69.07045	1.4
71.56660	1.5
71.95255	1.7
79.05493	2.6
79.89616	1.2
81.03419	2.8
81.07059	3.5
82.13038	1.4
84.96033	5.2
91.05470	3.2
93.07048	5.2
95.04984	1.7
95.08611	3.3
98.97593	45.6
105.07044	3.8
107.08606	3.1
109.10183	2.3
110.97594	4.5
112.99152	4.6
115.00727	1.8
116.98631	17.6
119.01739	1.7
119.08573	1.9
127.00729	5.8
128.98619	4.6
131.00177	5.4
134.99684	4.0
135.11678	2.8
137.02776	4.2
141.02222	1.5
145.01700	8.0
155.03822	2.8
155.60008	1.4
158.99675	19.9
159.03320	4.1
163.02806	3.8
169.01799	1.4
173.01260	5.1
177.00729	16.9
183.03450	1.5
187.02798	3.4
191.02344	3.4
200.02264	2.3
202.98605	2.5
209.08659	1.6
219.01764	7.3
229.03857	7.6
237.03001	2.7
244.99773	3.6
253.12711	13.1
255.03963	1.4
255.14215	2.0
257.12198	13.3
271.13797	5.7
273.15271	100.0
275.13266	10.2
275.16870	3.9
279.03830	9.2
287.13220	5.8
291.16339	9.0
293.14050	1.6
301.14886	3.5
303.01160	5.0
303.12903	1.4
305.02692	16.3
305.14435	6.5
314.17831	4.0
315.16360	3.1
325.18439	2.0
343.19467	33.3
345.21130	2.5
361.20581	16.4
371.18863	2.6
384.22018	1.6
389.07010	1.5
403.16266	2.9
403.21594	61.0
405.23459	2.3
415.21716	3.5
419.01132	1.5
429.19739	2.0
435.20618	8.3
445.22586	7.3
471.20581	9.0
477.21692	2.9
489.21762	5.0
495.22644	2.0
521.21497	3.7
523.25800	19.9
565.27386	22.8
573.24609	3.4
591.25861	18.9
609.26752	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	609.2613
Annotation	Tiliasine
Peak:m/z	Relative Intensity
55.05486	1.5
56.96570	65.9
67.05507	4.8
69.03414	1.5
69.07045	1.4
71.56660	1.5
71.95255	1.7
79.05493	2.6
79.89616	1.2
81.03419	2.8
81.07059	3.5
82.13038	1.4
84.96033	5.2
91.05470	3.2
93.07048	5.2
95.04984	1.7
95.08611	3.3
98.97593	45.6
105.07044	3.8
107.08606	3.1
109.10183	2.3
110.97594	4.5
112.99152	4.6
115.00727	1.8
116.98631	17.6
119.01739	1.7
119.08573	1.9
127.00729	5.8
128.98619	4.6
131.00177	5.4
134.99684	4.0
135.11678	2.8
137.02776	4.2
141.02222	1.5
145.01700	8.0
155.03822	2.8
155.60008	1.4
158.99675	19.9
159.03320	4.1
163.02806	3.8
169.01799	1.4
173.01260	5.1
177.00729	16.9
183.03450	1.5
187.02798	3.4
191.02344	3.4
200.02264	2.3
202.98605	2.5
209.08659	1.6
219.01764	7.3
229.03857	7.6
237.03001	2.7
244.99773	3.6
253.12711	13.1
255.03963	1.4
255.14215	2.0
257.12198	13.3
271.13797	5.7
273.15271	100.0
275.13266	10.2
275.16870	3.9
279.03830	9.2
287.13220	5.8
291.16339	9.0
293.14050	1.6
301.14886	3.5
303.01160	5.0
303.12903	1.4
305.02692	16.3
305.14435	6.5
314.17831	4.0
315.16360	3.1
325.18439	2.0
343.19467	33.3
345.21130	2.5
361.20581	16.4
371.18863	2.6
384.22018	1.6
389.07010	1.5
403.16266	2.9
403.21594	61.0
405.23459	2.3
415.21716	3.5
419.01132	1.5
429.19739	2.0
435.20618	8.3
445.22586	7.3
471.20581	9.0
477.21692	2.9
489.21762	5.0
495.22644	2.0
521.21497	3.7
523.25800	19.9
565.27386	22.8
573.24609	3.4
591.25861	18.9
609.26752	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	608.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01879	2.2
55.05262	1.8
55.05512	17.2
57.03430	3.3
57.07078	8.7
59.05006	10.0
61.02917	1.4
65.03955	1.1
67.05508	21.0
69.03436	4.4
69.07070	47.7
70.06632	1.5
71.04996	3.4
71.08629	3.2
71.56876	1.9
73.02908	1.4
77.03936	1.2
79.05508	12.4
81.03436	3.6
81.07059	68.6
83.04991	2.5
83.08620	22.3
85.02900	5.3
85.06541	4.5
87.00832	3.8
87.04487	3.2
91.03935	1.2
91.05479	17.8
93.07050	97.4
95.04980	21.0
95.08611	77.1
95.09245	2.3
97.02908	4.2
97.06537	9.2
97.10172	7.5
102.36430	1.1
105.01854	1.5
105.04499	1.7
105.07037	13.9
107.08598	31.8
109.02850	1.5
109.06519	4.6
109.10162	37.1
111.08083	12.5
111.11734	6.4
117.07014	1.2
119.08581	12.0
121.06529	1.5
121.10146	38.9
123.08057	3.5
123.11712	27.8
125.09663	4.7
127.03941	3.9
131.08557	4.4
133.10141	10.0
135.08105	1.3
135.11699	20.3
137.09633	1.9
137.13275	17.4
139.11163	7.6
145.10109	6.7
147.04416	2.0
147.11739	9.6
149.09645	1.7
149.13261	26.6
151.11200	3.2
151.14772	3.4
153.12741	2.8
159.11681	9.2
161.13278	7.8
163.11215	2.6
163.14822	5.4
165.12808	2.6
167.10686	1.9
167.14348	4.4
173.13304	4.7
175.14835	4.9
177.12805	1.5
177.16377	4.8
179.17952	2.0
181.12303	2.1
185.15385	4.3
187.14862	4.0
189.16374	2.8
191.17984	1.9
193.10152	2.2
193.15891	1.3
195.13808	1.3
201.16370	3.2
203.17908	2.6
205.19527	3.2
207.17314	1.4
209.19093	3.0
215.18028	3.5
219.21002	2.5
229.19592	1.3
231.21097	8.7
245.22676	3.0
249.22214	4.5
259.24197	1.1
261.25711	2.7
263.23761	1.4
271.24210	21.2
273.30338	1.1
277.25259	5.1
289.25266	43.5
294.60526	1.2
295.26367	11.0
307.26324	100.0
325.27405	48.7
344.95297	1.1
350.23080	1.2
367.18301	1.8
424.34052	1.2
445.27161	2.0
519.29132	2.0
537.30328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01890	4.1
55.05516	3.1
56.05040	3.5
56.96564	0.8
57.03437	2.9
57.07062	0.8
60.04530	21.9
61.02919	1.8
67.05515	5.7
68.05034	2.9
69.03436	9.8
69.07069	1.8
70.06604	5.7
71.01370	1.1
71.04999	4.4
71.57256	1.1
72.04512	3.0
72.08154	1.0
73.02917	2.2
73.55670	0.6
74.06084	1.7
79.05502	4.2
80.05029	6.3
81.03436	3.2
81.07059	5.1
82.06583	2.3
83.04987	1.8
83.08624	1.6
84.04513	2.8
84.08155	7.8
85.02909	7.2
85.06535	1.0
85.08458	1.1
86.06079	1.7
86.09718	2.7
87.00832	2.7
87.04475	1.8
90.05551	3.2
91.05489	6.5
91.06010	0.9
92.04978	0.7
93.07065	5.3
94.06575	6.0
95.04981	2.0
95.08620	5.1
96.04510	3.3
96.08143	1.9
97.02911	10.0
97.06548	9.2
98.06071	3.3
98.97582	1.2
99.04424	0.9
100.07611	0.8
101.02389	1.6
102.05523	2.0
104.42123	0.6
105.01862	1.1
105.07024	3.5
105.96177	0.6
106.06568	2.2
107.08627	2.4
108.08139	1.1
109.02824	0.8
109.06512	1.3
109.10139	2.0
110.06042	3.8
110.09689	1.0
111.08090	1.3
113.02369	1.7
114.05529	2.4
115.03928	2.8
116.07079	1.1
117.07032	0.8
119.08594	2.2
120.08108	3.8
121.06552	1.0
121.10117	1.6
122.06047	2.4
123.08080	1.3
123.11703	0.7
124.07610	1.6
125.02405	4.4
126.09190	1.5
127.03958	1.7
129.88170	0.8
131.08583	1.8
132.01134	0.9
132.06577	16.4
133.10129	1.6
134.09677	1.1
135.11661	1.3
136.07561	1.7
137.06020	1.4
137.09625	0.8
138.12851	0.9
140.07014	0.7
142.08682	0.8
143.03410	3.2
145.04906	0.7
145.10133	1.5
146.08127	1.6
146.48515	0.7
147.04503	0.9
149.09691	0.7
158.99487	0.8
161.03027	0.8
161.04500	2.1
171.11682	0.9
172.04434	1.1
173.13283	0.9
188.09206	2.4
188.14438	1.1
200.03769	0.8
202.68192	0.7
206.15546	0.7
210.18457	1.0
218.15468	1.0
220.17027	1.6
222.18457	0.7
223.53215	0.8
224.20114	2.1
236.20068	1.0
237.02835	1.2
237.18465	2.4
238.21652	1.1
244.20714	0.8
248.20161	2.5
250.21875	0.8
252.19722	1.3
257.04611	0.8
260.20129	8.8
262.09225	0.8
262.21658	4.0
266.21042	3.3
267.09216	0.8
272.20093	5.5
278.21100	3.4
286.04730	1.7
287.05594	2.3
290.21136	13.9
308.22214	8.3
324.21793	0.8
326.23282	11.4
328.24799	1.8
342.22818	2.9
344.24353	8.2
346.25946	5.1
347.26273	4.7
348.15680	0.8
360.23816	1.7
362.25320	5.3
363.25653	3.5
372.23706	1.1
400.20270	1.1
411.18008	1.9
411.67810	0.8
428.27490	1.0
433.07611	3.4
433.13651	1.0
510.26999	0.7
528.27576	1.0
536.30756	0.8
545.60590	0.7
546.29285	5.6
564.30219	20.2
572.27075	1.2
576.30286	1.4
590.26837	7.5
608.29077	100.0
609.29413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66713	0.7
55.01876	2.8
55.05515	3.9
55.74856	0.7
56.05029	2.2
57.03437	2.3
57.47261	0.8
58.49877	0.8
60.04528	28.8
61.02932	1.2
67.05512	7.7
68.05029	4.5
68.31133	0.7
68.99777	1.0
69.03434	8.7
69.07076	2.4
70.06587	5.5
71.01358	1.9
71.04994	1.2
71.57069	1.4
72.04524	3.6
72.08154	1.5
73.02918	2.3
74.06052	0.9
79.05513	4.7
80.05024	7.0
81.03420	2.3
81.07067	5.7
82.06602	1.7
83.04996	1.8
83.08624	0.9
84.04514	2.7
84.08151	1.4
85.02929	5.6
85.06550	2.3
86.06078	1.4
86.09699	1.3
87.00831	2.3
87.04488	1.5
90.05563	3.3
91.05502	2.9
92.64552	0.7
93.07062	4.6
94.06567	5.2
95.08592	4.8
96.04523	1.2
96.08115	1.2
96.52904	0.8
97.02901	11.5
97.06533	2.3
98.06068	2.9
101.02367	2.5
105.07050	2.8
106.06547	1.9
107.08614	2.3
108.08116	1.6
109.06467	1.2
109.10172	2.0
110.06042	4.4
111.08098	2.9
113.02381	2.0
114.05533	1.5
115.03922	3.7
116.07108	1.0
119.08594	1.9
120.08118	3.2
121.10191	2.2
122.06023	1.4
124.07618	1.0
125.02354	4.6
132.06573	19.1
133.10121	1.8
134.09622	1.0
142.08665	1.2
143.03403	5.3
161.04408	1.8
174.12869	1.0
176.10803	0.8
179.14256	1.1
200.45934	0.8
204.13882	1.0
206.15398	1.2
211.16942	1.9
218.15674	1.2
224.20143	2.3
232.17297	0.9
234.18481	0.8
237.18571	3.9
238.21762	1.5
248.20207	2.9
260.20114	7.8
262.17999	1.6
262.21701	3.9
266.21097	4.7
272.20020	5.3
278.21136	2.8
280.22794	1.0
287.05643	1.0
290.21149	13.0
298.20203	1.1
308.22269	5.5
326.23367	10.1
344.24353	8.0
362.25357	7.1
372.23795	1.9
390.24915	2.4
497.99924	0.9
522.28998	1.6
528.28217	1.3
546.29126	8.2
564.30231	22.1
564.39154	1.1
572.26959	1.2
590.27942	11.3
608.29144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.6
58.99840	0.9
67.05453	1.1
68.27227	0.3
69.07017	0.6
69.89992	0.8
69.90387	1.7
77.00908	2.9
79.05441	0.9
81.07011	1.6
91.05432	0.8
93.06981	0.9
95.01893	1.5
95.08556	0.8
97.10136	0.6
100.02415	0.5
105.06999	0.8
107.08568	0.4
109.10146	0.5
119.08596	0.6
131.01978	0.4
131.08501	0.5
133.10063	0.4
135.11638	0.6
136.06186	3.3
169.07040	0.8
182.04158	0.7
183.08704	0.7
185.06554	0.6
187.08080	1.4
189.03954	0.6
195.08580	0.7
197.10223	0.8
199.08031	0.5
201.09708	2.3
203.09216	0.5
205.10806	0.6
207.05072	2.5
209.06662	0.5
209.10182	0.6
210.07367	0.7
211.11873	0.5
212.38943	0.4
213.09753	0.7
215.11232	1.3
217.10742	0.6
219.10693	1.0
221.06569	1.7
221.10182	0.8
221.13411	0.4
223.08159	0.5
223.11754	1.7
227.11241	0.9
229.12845	1.1
231.12395	0.6
235.11777	0.5
237.13284	3.1
239.11292	0.6
241.12776	1.0
247.08206	0.4
247.11748	0.5
251.11421	0.5
253.12955	0.5
255.14384	2.6
259.15210	0.4
261.13339	0.8
263.11307	1.0
264.12128	2.3
265.12900	1.6
269.12503	0.7
269.15829	0.6
271.15356	0.7
273.16928	2.4
277.12875	2.5
281.12210	0.7
282.13159	0.9
283.13940	1.1
286.58759	0.5
289.16489	2.9
291.18011	7.6
295.13934	0.5
297.16928	0.8
303.18030	0.8
309.15747	0.8
309.19067	4.7
313.16458	1.8
314.19589	1.0
315.18051	14.3
333.19107	100.0
334.19330	1.3
348.06961	0.8
349.67896	0.4
351.20129	5.7
356.20709	12.9
357.20938	0.6
374.21841	0.5
607.38477	93.0
608.38574	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30870	0.3
55.06882	0.3
58.93515	0.3
66.11028	0.4
71.22236	0.6
73.20149	0.3
95.08646	0.4
106.95736	0.4
121.10270	0.4
196.68094	0.4
211.12355	0.4
389.17722	0.7
390.18607	0.4
401.18002	0.5
402.18307	0.7
403.19247	3.2
404.20142	0.8
405.20789	1.7
415.19449	0.7
416.20297	0.7
417.16089	0.6
417.21356	3.8
418.21515	2.2
419.22504	3.1
429.17126	0.6
430.17816	0.9
431.18091	7.0
431.23608	0.8
432.19342	1.2
432.23941	0.6
433.19034	0.7
433.24109	8.7
434.24905	1.1
445.19745	9.1
446.20703	3.8
447.21744	3.9
457.19931	0.6
459.21335	4.1
460.22589	12.0
461.23343	14.0
473.23776	3.5
474.24326	1.0
477.22739	0.5
487.25092	1.5
488.25745	0.6
492.25449	0.8
503.53641	0.4
505.21774	2.8
515.24463	0.6
519.27295	1.9
532.24939	1.0
547.27087	46.8
548.27704	0.5
575.26740	1.2
578.25482	0.6
579.29657	1.1
605.17834	0.5
607.29187	100.0
608.29492	1.8
627.50269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.08484	0.1
70.15028	0.3
70.15418	0.2
75.52857	0.1
79.05434	0.1
116.90842	0.1
118.17771	0.1
207.09137	0.3
209.10660	0.2
221.10773	0.1
223.12267	0.2
300.15091	0.2
304.27405	0.1
322.14120	0.1
326.16699	0.2
349.13934	0.1
359.95041	0.1
375.16187	0.3
376.17520	0.1
387.16031	0.2
388.16693	0.3
389.17599	1.1
390.18573	0.4
400.17734	0.1
401.17740	0.5
402.18481	0.9
403.19312	2.8
404.19907	1.2
405.20786	1.7
415.19540	0.6
416.15372	0.2
416.20605	1.0
417.16559	1.0
417.21417	3.3
418.21829	2.0
419.22360	3.4
421.23901	0.3
429.16132	0.2
429.20953	0.5
430.17017	1.0
430.22620	0.3
431.18185	8.1
432.18698	1.8
432.24136	0.3
433.24146	7.9
434.24695	1.1
443.18378	0.2
444.18564	0.6
445.19839	8.9
446.20786	4.4
447.21634	4.3
449.22964	0.3
457.20099	0.2
458.20877	0.4
459.21597	4.5
460.22537	10.0
461.23373	11.0
462.19855	0.3
472.22592	0.2
473.23724	2.8
474.24265	0.9
477.23306	0.6
487.25299	1.4
488.25583	0.5
489.22906	0.6
491.20004	0.4
491.24710	0.5
492.25284	0.8
493.25461	0.3
501.22546	0.2
503.20682	0.2
504.25436	0.2
505.21622	2.8
506.26733	0.5
515.24280	0.8
518.23309	0.5
519.24225	1.6
532.24390	0.7
533.25336	0.4
547.27069	30.9
548.27789	0.7
563.23108	0.2
575.26465	0.9
578.25238	0.5
579.29626	0.6
592.27155	0.2
607.29144	100.0
608.29517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.87779	0.1
67.05538	0.2
68.00683	0.2
70.62198	0.4
70.62547	0.3
75.31462	0.2
78.88596	0.2
96.69016	0.2
111.96107	0.2
118.18198	0.2
172.03951	0.2
180.18155	0.2
209.10805	0.3
221.10788	0.2
223.12460	0.3
247.12578	0.2
286.13559	0.3
300.15021	0.2
312.15054	0.2
314.16251	0.2
324.15051	0.2
373.14572	0.3
374.15472	0.3
375.16092	0.7
376.17374	0.4
387.16479	0.2
388.17038	0.7
389.17627	2.2
390.18585	0.8
391.19193	1.0
401.17892	0.7
402.14001	0.2
402.19144	0.8
403.15564	0.5
403.19492	3.8
404.20251	1.6
405.20770	3.2
415.14853	0.3
415.19995	0.4
416.15842	0.9
417.16248	3.6
417.21249	1.4
418.17404	0.6
418.22559	1.0
419.22458	5.1
420.23212	0.6
429.16913	0.3
430.18008	0.7
431.18420	7.4
432.19217	2.9
433.20081	3.4
435.21698	0.3
443.18369	0.4
444.19489	0.5
445.20206	4.5
446.21024	6.9
447.21735	7.9
448.22803	0.4
449.20129	0.3
457.20316	0.3
459.17780	0.8
459.22153	1.0
460.18820	0.7
461.19290	1.5
462.24310	0.4
463.20352	0.3
463.25790	0.5
473.19534	0.8
473.23901	0.7
474.20425	4.7
475.21167	4.3
477.23111	0.5
478.23706	0.7
487.21207	1.9
488.21906	0.4
490.23999	0.4
491.20038	2.8
501.22983	1.1
504.21234	0.3
505.22433	0.7
506.23499	0.3
517.22675	0.3
519.24060	17.1
520.23779	0.5
529.22534	0.4
532.20886	0.3
547.23419	13.9
548.24066	0.5
550.23004	0.2
551.26776	0.3
561.24719	0.5
579.26044	6.0
589.25055	0.4
607.25525	100.0
608.25800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
59.47494	0.8
67.05518	0.8
73.42718	0.7
75.68105	0.8
79.05499	0.8
91.05519	1.1
105.07052	1.1
116.86641	0.8
123.39827	0.8
133.10216	0.9
374.15302	1.0
389.17731	2.1
390.18408	1.3
401.17703	1.5
402.18835	1.0
403.19672	4.5
404.20004	1.3
405.20761	2.6
416.16232	1.7
417.16241	4.6
417.21399	2.5
418.17422	1.4
419.22583	7.2
430.17468	1.3
431.18439	7.7
432.19574	3.0
433.20404	3.1
445.20276	5.7
446.21066	6.2
447.21869	9.1
459.17529	1.6
471.49765	0.8
474.20517	9.3
475.21133	11.3
487.21387	2.2
491.20526	1.2
491.25357	0.9
501.23227	1.6
519.24054	11.0
547.23456	56.7
579.26013	3.1
607.25580	100.0
608.25537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01867	1.4
55.05514	4.1
56.05029	1.6
60.04525	9.3
67.05178	0.7
67.05509	9.3
68.05031	1.3
69.03439	0.7
69.07078	3.3
70.06586	2.1
71.04999	2.5
71.58034	0.6
72.04507	1.1
78.74942	0.4
79.05498	7.5
80.05019	7.6
81.03408	1.3
81.07064	9.2
81.57622	0.5
82.06582	2.4
83.04974	1.5
83.08627	0.9
84.04500	1.0
85.06537	0.8
90.05566	0.7
91.05489	4.1
93.07050	7.4
94.06576	8.2
95.04977	1.4
95.08612	6.1
96.08158	1.0
97.06519	1.3
98.06065	1.2
105.07025	3.1
106.06570	0.8
107.08601	3.4
108.08136	2.0
109.10169	2.0
111.08105	2.3
116.07092	0.8
117.06992	0.8
119.08604	2.1
120.08125	1.4
121.10178	3.3
131.08569	1.7
133.10141	1.4
134.09691	1.6
135.11734	1.1
137.09602	0.7
145.10103	1.1
147.11707	0.6
159.11728	0.7
162.12827	0.7
164.86624	0.5
179.14316	0.9
190.15761	0.5
203.37672	0.5
208.16974	0.8
218.15398	0.9
224.20103	1.6
236.20100	4.3
244.20639	0.6
246.18620	1.1
254.21147	4.4
262.21692	2.0
264.19946	0.7
264.23248	0.9
274.21680	6.1
282.20792	0.6
292.22729	5.3
300.21732	1.5
310.23779	3.6
328.24844	13.0
346.25909	3.3
532.43555	1.2
588.46057	1.1
606.47284	100.0
607.46960	1.5
631.55939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.02989	0.4
55.05489	0.4
56.05024	0.7
56.16267	0.3
57.03417	1.5
60.04510	1.2
61.32588	0.3
65.03950	0.6
66.71175	0.3
67.05496	0.8
68.94211	0.3
69.03404	1.1
70.06590	9.0
71.04946	0.4
71.57194	0.4
72.08141	1.0
73.02923	1.8
79.05481	0.8
81.03410	0.9
81.07063	0.7
82.06561	0.4
84.04509	0.4
84.08146	2.4
85.02883	1.3
86.09718	1.5
86.10172	0.3
91.05490	4.1
93.07066	0.8
94.06562	1.4
95.08598	0.7
96.08113	0.6
97.02881	0.6
97.06581	0.5
97.08907	2.5
98.06073	0.5
98.09705	0.5
98.97601	0.4
107.04940	0.5
107.08603	0.4
107.93232	0.3
108.08115	0.5
109.02859	0.5
109.10116	0.4
110.09682	2.5
119.04942	12.6
120.08078	1.2
122.03632	0.4
124.11226	0.4
127.08672	0.3
131.04967	0.4
134.09683	0.6
136.07600	0.5
137.05980	3.7
138.12794	0.5
147.04413	45.5
149.01222	0.4
151.03940	0.8
163.07545	0.4
173.09227	2.7
176.14293	0.7
178.15924	1.3
192.17436	0.6
208.20695	0.5
218.18962	0.5
223.21678	1.4
232.20499	0.4
236.20166	0.8
238.21672	2.1
239.13225	0.3
247.21893	0.4
250.21677	2.8
253.22749	4.5
261.23251	4.2
268.22751	0.7
273.23215	2.6
274.21649	0.5
279.24469	0.6
291.24338	1.1
309.25519	0.9
327.26425	100.0
328.26862	0.6
332.11041	0.3
333.25220	0.5
339.12396	0.6
349.24771	0.4
351.26486	0.5
357.13199	1.9
369.27509	1.2
397.26917	0.5
455.29062	3.1
459.30670	12.4
473.30164	10.9
500.21078	0.3
540.80371	0.4
587.33319	0.4
593.92120	0.4
605.34363	75.6
606.34546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48523	0.5
56.96565	25.4
67.05460	1.6
69.07034	0.5
69.73552	2.8
70.06566	0.6
70.98093	0.9
71.95235	1.4
72.96006	0.6
73.01172	0.4
74.97594	0.7
79.05466	1.5
81.07018	1.5
84.96004	0.8
85.02861	0.8
91.05441	1.0
93.07026	0.8
95.08580	1.0
96.36011	0.5
98.20798	1.0
98.97557	0.8
100.84615	0.5
105.00128	1.8
105.06988	0.5
107.08566	0.8
110.97544	0.8
112.33495	0.5
119.01770	0.6
123.01154	1.1
128.98608	0.7
130.03296	0.5
137.02734	1.3
139.00664	2.7
141.02200	1.2
145.01711	0.7
147.03194	0.6
149.02466	0.5
151.00641	2.0
153.01132	0.5
153.02228	6.3
155.03751	2.2
157.01680	1.8
159.03366	0.7
165.02238	0.9
167.03802	2.7
169.01686	2.6
171.03311	7.1
173.01274	0.6
173.04823	2.1
179.03764	0.9
181.01701	0.7
181.05353	1.3
183.03308	1.4
185.01178	0.8
185.04855	7.2
187.02773	1.1
187.06236	0.7
189.04366	1.1
191.05968	0.8
193.05289	0.8
194.04846	0.8
195.06969	0.8
197.04837	2.4
199.02760	0.7
199.04617	0.9
199.06378	6.1
201.04318	0.6
203.05878	5.3
207.06883	1.8
209.08443	1.0
211.02899	0.7
211.06398	1.9
213.07936	0.8
215.05879	1.1
217.05495	0.8
217.07442	3.3
219.10631	1.0
221.04990	0.8
221.08551	1.7
222.07945	0.7
223.06461	0.6
225.07930	3.2
229.07420	3.1
231.09068	0.7
233.08423	2.6
235.10007	1.5
237.07954	1.7
239.09479	0.7
241.07510	0.6
243.09044	7.5
245.08551	2.1
247.08525	0.9
249.08026	0.8
251.09547	6.7
253.11128	2.2
255.09157	0.7
261.10150	2.6
263.09540	16.8
265.11023	1.0
269.10654	2.4
271.12164	0.6
274.11111	0.6
281.10611	82.0
282.10953	0.8
283.12061	2.3
299.11676	31.2
304.12244	11.6
305.10577	1.0
322.13135	1.8
349.16980	0.6
363.18314	1.6
449.21942	0.6
587.33099	0.7
605.33618	100.0
606.33990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01870	6.6
55.05513	10.7
57.03419	1.1
57.07055	1.2
58.58763	1.0
67.05505	21.8
69.03421	1.7
69.06734	1.8
69.07070	23.0
69.86071	1.9
69.86490	4.9
71.04994	1.8
79.05499	18.3
81.03418	14.4
81.07057	19.3
83.04985	11.7
83.08582	3.6
91.05485	14.5
93.07049	21.9
95.04941	5.0
95.08607	17.7
96.96028	1.1
97.06535	8.4
97.10149	2.6
99.04466	2.6
105.07029	13.1
107.04961	36.3
107.08604	14.4
109.06519	2.4
109.10172	5.9
111.04460	5.4
111.08101	2.2
117.06989	4.5
119.08591	9.2
121.06484	3.1
121.10143	10.4
123.08066	2.6
123.11706	1.4
125.09602	2.7
129.06981	3.2
131.08594	7.9
133.06445	1.4
133.10135	8.1
135.08072	6.2
135.11685	3.2
137.09619	3.3
139.11232	5.9
143.08501	2.5
145.10132	6.5
147.08014	2.2
147.11670	3.1
149.09639	24.9
149.13264	2.4
151.07579	2.2
151.11131	1.7
153.09097	3.3
157.10167	4.3
159.08081	1.8
159.11661	4.2
161.09578	2.4
163.11139	2.6
167.10728	2.7
167.14229	2.6
169.10085	1.4
171.11751	3.0
173.13197	1.7
175.11179	3.7
177.12724	1.9
178.35448	1.2
179.10661	3.7
185.09692	1.2
195.13800	4.9
203.10777	1.6
203.12697	3.0
221.11702	1.8
235.13313	2.6
245.19005	2.8
255.17371	2.0
261.22180	2.5
263.20129	2.1
273.18472	14.0
275.20026	6.9
277.21588	3.2
291.19556	100.0
292.19617	1.4
295.22668	1.9
307.22604	3.1
309.20593	5.0
426.82205	1.2
429.43515	1.2
453.62427	1.3
533.39282	1.8
545.25592	1.3
551.40625	1.6
569.42322	2.9
604.46039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	24.9
55.79200	3.5
63.09466	3.5
64.08028	3.8
65.03954	4.3
67.05500	25.8
68.09756	4.0
69.07070	22.0
69.97967	9.2
69.98379	11.8
74.09711	6.4
79.05503	36.0
81.03404	6.5
81.07059	29.8
83.04950	6.3
83.08614	16.5
85.06539	4.5
91.05483	35.0
93.07050	37.2
95.04951	21.9
95.08594	24.1
97.06528	10.3
97.10147	4.9
98.20848	7.5
105.07036	35.5
107.04927	15.9
107.08582	24.0
109.10153	7.4
111.08092	4.9
117.06990	9.3
119.08594	31.7
121.10135	22.9
123.08082	3.7
129.07021	5.4
131.08560	18.0
133.10115	29.7
135.08035	10.8
139.11179	7.0
145.10175	19.2
147.11665	15.5
149.09602	16.5
155.08601	4.7
157.10138	7.1
159.11679	14.3
163.11176	15.9
171.11632	6.3
173.13298	4.6
183.11722	5.0
197.13342	4.3
203.12738	8.1
223.13226	11.8
239.17970	5.1
247.20732	4.2
257.18985	7.0
259.20590	7.4
261.06540	3.8
275.20071	100.0
276.20691	4.4
277.21606	12.2
293.21091	46.0
310.43546	3.8
407.49350	4.6
470.96060	4.4
533.39801	5.4
551.40430	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	604.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01882	6.3
55.05515	20.3
59.04981	1.4
65.03938	1.4
67.05504	21.1
69.03419	3.8
69.07077	10.2
71.92213	1.6
79.05063	1.9
79.05500	28.5
81.03407	4.4
81.07062	43.0
82.04289	1.3
83.04967	6.9
83.08626	12.5
91.05486	15.5
92.05800	1.3
93.07051	22.8
95.04980	11.5
95.08599	10.3
97.06538	3.3
97.10171	16.0
98.20594	1.4
105.07048	13.6
107.04948	5.3
107.08601	14.6
109.06513	4.8
109.10168	10.8
111.04457	8.4
111.08054	3.1
117.07023	7.3
119.08585	19.7
121.06502	6.0
121.10148	11.0
123.08077	8.6
123.11701	2.5
125.09631	13.3
129.06984	4.2
131.08563	9.9
133.06490	2.1
133.10132	8.1
135.08064	7.1
135.11676	6.4
137.09679	3.1
139.11215	2.7
143.08563	4.0
145.10133	14.7
147.08032	8.0
147.11659	4.0
149.09602	4.0
149.13255	3.1
152.15401	1.5
153.09081	4.8
153.12735	2.6
157.10121	4.4
159.08165	2.0
159.11659	4.7
159.37277	1.4
161.09637	3.2
161.13219	1.9
163.11176	8.7
165.09100	4.3
170.49449	1.3
171.10159	1.7
171.11728	2.2
173.13158	2.1
175.11171	2.8
177.12701	2.0
177.86925	1.4
181.12253	5.3
185.13248	2.3
189.11235	13.8
189.12776	2.5
191.10690	5.0
198.95662	1.4
209.11665	1.8
213.16533	1.5
223.13268	5.7
227.12718	7.2
229.65974	1.5
245.19063	1.7
249.14842	3.5
255.17438	2.3
257.18845	1.3
261.22159	3.3
270.86444	1.7
273.18533	20.8
275.20071	11.7
277.21582	3.0
291.19553	100.0
293.21143	4.7
309.20554	5.5
431.31900	1.9
501.26514	1.4
551.40393	3.1
569.41669	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01878	15.5
55.05269	3.2
55.05513	47.2
57.03429	5.6
59.46792	2.1
65.03937	5.1
67.05507	63.8
68.05894	2.2
69.03435	4.6
69.06718	3.4
69.07069	44.1
69.79791	9.4
71.04994	6.2
72.44914	2.2
79.05494	57.5
81.03400	8.7
81.06580	3.3
81.07056	59.6
83.04983	4.9
83.08620	25.4
85.06548	4.0
91.05482	56.4
93.06475	4.4
93.07047	60.4
95.04958	11.7
95.08611	49.5
97.06541	15.3
97.10159	25.2
98.21441	2.2
99.08094	2.9
105.07034	56.9
107.04960	10.7
107.08602	38.3
109.06507	7.1
109.10156	23.0
111.04418	2.4
111.08084	7.6
111.73012	1.8
113.05970	2.0
115.05468	2.6
117.07008	22.3
119.08585	42.4
119.09446	2.5
121.06492	6.3
121.10140	16.3
123.08085	4.5
123.11678	4.4
125.09631	18.4
128.06180	2.6
129.07056	11.6
131.08588	30.6
133.06523	2.6
133.10146	30.3
135.08064	7.2
135.11694	13.4
137.09579	6.0
139.11215	2.8
142.07755	4.8
143.08569	12.3
145.06448	2.3
145.10129	30.1
147.08029	3.4
147.11674	24.0
149.09622	16.5
149.13246	5.9
150.02243	2.2
153.09087	2.4
155.08540	6.5
157.10126	15.1
159.08054	2.7
159.11696	21.0
161.09639	2.6
161.13271	10.7
163.11183	6.8
167.08514	2.8
169.10124	7.3
171.11690	11.3
173.11815	4.3
173.13246	13.5
175.11147	4.5
175.14830	3.9
177.12799	5.4
179.14336	2.5
181.10083	3.1
183.11691	8.8
185.13264	7.3
187.11140	3.1
187.14810	3.2
189.11249	15.9
189.12778	3.2
190.04134	2.6
195.11671	4.2
195.13719	2.6
197.13213	6.8
199.14873	3.2
201.12758	3.4
201.16344	2.8
203.12680	4.2
203.14342	2.6
205.15883	2.5
207.13795	3.0
209.13260	5.5
211.13168	2.8
211.15038	2.8
213.16240	2.6
221.15302	5.3
227.17862	2.6
229.19472	4.8
235.16913	4.9
239.17880	4.0
247.20483	3.4
257.19177	9.8
273.18460	5.0
275.20062	100.0
277.21628	7.7
289.21564	4.4
291.19553	12.6
293.21164	17.3
301.21564	3.8
313.21860	2.0
319.22626	3.1
381.27725	4.9
383.29651	3.6
395.29773	4.0
399.28824	6.9
413.30795	3.9
431.18799	19.0
455.31714	3.9
473.32318	4.4
531.37756	3.7
549.39563	5.3
567.40710	15.1
585.41492	9.9
603.42285	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	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01861	5.9
55.05512	22.0
55.35129	1.7
57.03430	2.9
61.02896	1.8
66.86774	1.8
67.05510	50.8
69.03410	2.6
69.07073	22.1
71.04992	3.9
73.02943	2.4
79.05495	39.5
81.03426	3.1
81.07063	57.7
83.04967	5.6
83.08626	11.7
85.06541	4.2
91.05485	45.3
91.06020	3.9
93.07058	37.9
94.87042	1.7
95.04969	9.3
95.08611	32.5
97.06542	7.6
97.10168	7.9
99.08099	1.9
105.07035	44.4
107.04949	6.9
107.08607	34.3
109.06516	7.1
109.10166	15.8
111.08063	4.2
114.40796	1.9
117.07034	16.3
119.08588	43.0
121.06493	3.1
121.10152	20.6
123.08087	5.2
123.11707	5.7
125.09643	7.4
129.07028	7.0
131.08577	18.0
133.06467	3.2
133.10147	34.3
133.11108	3.8
135.08086	7.1
135.11714	9.4
137.09642	5.2
139.11171	2.5
143.08554	6.1
145.10133	21.2
147.08061	3.9
147.11682	19.1
149.09637	8.4
149.13252	7.7
151.11180	3.0
155.08595	3.0
157.10135	7.7
159.11691	12.0
161.09598	2.0
161.13281	7.7
163.11220	6.7
165.12743	3.1
169.10127	5.0
171.11676	6.7
171.65373	1.8
173.13235	10.9
175.11183	2.9
175.14763	2.4
177.12794	4.4
181.10138	2.5
181.12248	2.3
183.11603	3.2
185.13239	3.3
187.14865	3.7
189.11212	3.8
189.12721	2.3
195.13791	6.5
197.13306	5.2
199.14912	3.5
211.13194	3.1
215.17963	2.0
229.19493	3.2
229.39751	2.0
235.16922	4.1
239.18077	4.7
247.20718	2.8
257.19077	11.8
275.20081	100.0
277.21570	3.1
291.19513	3.5
293.21051	18.2
317.24448	2.9
367.17834	3.0
431.18930	65.0
448.24106	3.0
487.21426	3.4
487.34277	1.9
493.88339	2.2
532.62823	2.5
567.40045	2.9
603.29730	8.8
603.42206	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	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03975	1.7
53.03937	6.1
54.17496	1.8
55.01873	9.7
55.05268	2.1
55.05513	33.6
56.96564	2.0
57.03435	2.6
57.07076	2.4
65.03925	2.3
67.05509	51.2
69.03412	3.3
69.06727	2.4
69.07072	32.0
71.04994	4.1
79.05502	39.0
81.03403	4.7
81.06586	3.3
81.07058	59.6
83.04982	6.6
83.08627	20.4
84.08166	2.2
85.02894	2.5
85.06544	3.3
91.04974	3.1
91.05491	43.6
93.06476	2.8
93.07047	44.7
95.04973	13.3
95.08048	3.1
95.08611	36.8
97.06532	11.0
97.10163	14.2
99.08102	2.9
103.05400	1.9
105.07030	48.4
107.04932	8.5
107.08597	36.4
109.06532	12.6
109.10162	18.5
111.08071	4.8
117.07026	15.6
119.08585	38.8
121.06490	5.3
121.10142	19.9
123.08073	6.6
123.11716	5.1
125.09624	9.7
128.06226	2.1
129.07001	9.8
131.08571	23.2
133.06483	4.0
133.10130	33.3
135.08076	6.9
135.11690	7.6
137.09584	6.1
139.11183	2.6
141.07039	4.1
143.08553	10.2
145.10130	24.7
147.08032	2.9
147.11696	15.7
149.09613	15.7
149.13196	6.1
151.11127	3.2
153.09178	2.6
155.08557	5.5
157.10181	8.9
159.02211	1.9
159.11713	17.2
161.09578	5.4
161.13280	7.0
163.11153	7.9
167.08536	2.6
167.10690	1.7
169.10120	7.2
169.31212	1.6
171.10335	2.5
171.11588	9.4
173.09604	3.0
173.11983	2.7
173.13193	9.8
175.11182	2.5
175.14819	3.0
177.12817	3.5
179.14169	2.3
181.10141	3.5
183.11679	5.9
185.13240	6.3
187.11212	3.8
187.14748	2.6
189.11232	8.7
189.12700	2.8
193.12204	3.4
195.11786	3.1
195.13795	2.5
197.13272	6.9
199.14793	4.5
201.12668	2.1
217.15842	1.7
229.15887	2.0
229.19434	3.8
229.58217	1.8
235.16989	6.2
239.17950	6.3
257.19003	7.7
259.20679	2.1
263.20023	3.3
269.19073	1.8
273.18704	2.8
275.20078	100.0
277.21591	8.6
291.19495	7.6
293.21124	21.6
299.20087	2.7
299.23444	1.9
301.21585	2.1
313.21698	3.3
319.88525	2.1
355.26324	2.1
385.24091	2.3
395.29178	2.0
398.23917	1.9
399.29037	2.1
413.30109	2.6
431.31546	2.1
439.32065	2.5
443.31396	2.2
455.31497	3.7
457.32971	3.9
461.32452	5.6
469.33051	2.9
473.32367	5.2
475.33710	2.0
487.33890	5.4
489.85825	2.2
491.34399	1.9
518.92383	2.2
531.38446	3.3
549.39227	6.3
567.40179	14.6
585.41864	10.8
603.26617	5.2
603.42603	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01861	5.9
55.05512	22.0
55.35129	1.7
57.03430	2.9
61.02896	1.8
66.86774	1.8
67.05510	50.8
69.03410	2.6
69.07073	22.1
71.04992	3.9
73.02943	2.4
79.05495	39.5
81.03426	3.1
81.07063	57.7
83.04967	5.6
83.08626	11.7
85.06541	4.2
91.05485	45.3
91.06020	3.9
93.07058	37.9
94.87042	1.7
95.04969	9.3
95.08611	32.5
97.06542	7.6
97.10168	7.9
99.08099	1.9
105.07035	44.4
107.04949	6.9
107.08607	34.3
109.06516	7.1
109.10166	15.8
111.08063	4.2
114.40796	1.9
117.07034	16.3
119.08588	43.0
121.06493	3.1
121.10152	20.6
123.08087	5.2
123.11707	5.7
125.09643	7.4
129.07028	7.0
131.08577	18.0
133.06467	3.2
133.10147	34.3
133.11108	3.8
135.08086	7.1
135.11714	9.4
137.09642	5.2
139.11171	2.5
143.08554	6.1
145.10133	21.2
147.08061	3.9
147.11682	19.1
149.09637	8.4
149.13252	7.7
151.11180	3.0
155.08595	3.0
157.10135	7.7
159.11691	12.0
161.09598	2.0
161.13281	7.7
163.11220	6.7
165.12743	3.1
169.10127	5.0
171.11676	6.7
171.65373	1.8
173.13235	10.9
175.11183	2.9
175.14763	2.4
177.12794	4.4
181.10138	2.5
181.12248	2.3
183.11603	3.2
185.13239	3.3
187.14865	3.7
189.11212	3.8
189.12721	2.3
195.13791	6.5
197.13306	5.2
199.14912	3.5
211.13194	3.1
215.17963	2.0
229.19493	3.2
229.39751	2.0
235.16922	4.1
239.18077	4.7
247.20718	2.8
257.19077	11.8
275.20081	100.0
277.21570	3.1
291.19513	3.5
293.21051	18.2
317.24448	2.9
367.17834	3.0
431.18930	65.0
448.24106	3.0
487.21426	3.4
487.34277	1.9
493.88339	2.2
532.62823	2.5
567.40045	2.9
603.29730	8.8
603.42206	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	602.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96261	2.2
53.03501	2.0
53.03937	3.9
54.56534	1.9
55.01871	4.3
55.05514	14.9
55.93971	1.6
57.03439	2.3
62.66768	1.9
67.05510	29.7
69.07068	32.9
70.52616	2.2
70.54565	3.4
70.54904	4.3
71.04999	2.9
79.05062	2.7
79.05496	33.0
81.03432	2.3
81.07058	30.1
83.04992	7.6
83.08610	10.1
85.06544	2.6
91.05480	27.5
93.07053	40.3
95.04976	17.8
95.08601	18.6
97.06522	8.4
97.10171	7.1
105.07030	23.7
107.04945	20.1
107.08598	23.0
109.06522	3.3
109.10136	9.0
111.11699	2.7
117.07026	8.0
119.08579	23.7
121.06517	5.0
121.10139	27.8
123.08099	2.7
123.11706	3.7
125.09641	3.6
129.07039	3.5
131.08571	15.4
133.10143	19.3
135.08078	18.8
135.11673	4.3
137.09622	2.5
139.11168	17.7
141.07042	2.2
143.08566	3.3
145.10100	12.5
147.11694	8.6
149.09665	14.8
149.13283	3.0
151.11212	5.1
157.10101	3.4
159.11703	8.2
161.13289	4.0
163.11217	9.2
164.10872	1.9
167.41682	1.7
171.11668	3.2
171.13794	2.3
173.13292	3.9
177.12808	3.8
183.11671	2.4
187.14894	3.5
195.12440	1.8
197.13297	4.4
203.12744	2.6
217.14362	25.8
237.14891	4.3
239.17937	5.0
247.20554	5.0
251.16403	5.6
257.19064	11.4
275.20081	100.0
277.21530	2.6
289.21744	3.7
307.22699	72.5
493.87643	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	601.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
52.94443	2.2
53.03940	6.8
55.01865	5.9
55.05509	29.1
55.35859	2.3
57.03443	3.1
57.07074	10.9
59.04976	4.2
65.03918	5.6
67.05181	3.2
67.05509	48.0
69.03426	14.1
69.07073	28.1
69.92076	3.8
69.92467	5.3
71.04975	7.4
71.08634	2.6
79.05494	46.9
81.03399	4.5
81.07063	71.6
83.04985	22.8
83.08614	19.7
85.06534	6.4
87.04459	5.9
89.06013	3.4
90.94739	1.9
91.05482	63.4
92.05787	2.5
93.07050	90.2
94.07330	3.1
95.04966	34.0
95.08060	2.8
95.08615	47.2
96.08935	2.2
97.06530	15.5
97.10192	10.7
97.32767	2.2
98.21384	2.9
103.05470	3.9
104.49895	2.0
105.04530	2.1
105.07036	94.7
106.07359	5.2
107.04955	7.6
107.08602	78.9
108.08902	2.5
109.06537	19.4
109.09460	2.7
109.10166	31.8
111.04439	3.5
111.08070	8.0
111.11699	2.4
113.09605	6.0
115.05442	8.2
116.06216	2.6
117.07026	30.0
119.04902	3.2
119.08589	100.0
120.08897	3.4
121.06508	17.9
121.10145	87.5
122.10481	3.0
123.08076	20.8
123.11696	9.2
125.05966	4.7
125.09622	22.8
128.06232	14.6
129.07018	20.9
130.07774	9.4
131.08571	49.6
132.08943	2.4
133.06458	7.7
133.10136	60.5
135.08064	21.1
135.11699	24.7
137.09615	14.0
139.11153	8.1
141.06960	7.2
142.07799	18.2
143.08577	44.1
144.09433	9.8
145.06479	4.6
145.10130	74.6
145.11282	3.8
146.10545	6.2
147.08047	15.0
147.11682	26.0
149.09627	23.7
149.13264	4.0
151.07504	6.0
151.11183	3.8
153.07022	4.1
153.09076	4.4
153.12709	2.8
155.08539	17.1
155.10626	5.4
156.09378	18.2
157.10149	50.6
158.10748	7.3
159.08038	15.0
159.11702	44.8
160.08670	2.1
161.09613	19.2
161.13255	10.8
163.11189	15.3
165.07001	8.8
165.09134	15.2
165.12735	2.2
166.07701	3.5
167.08508	8.0
167.10681	53.7
168.09322	8.1
168.10667	2.7
169.10132	28.8
170.10800	8.6
171.11694	38.3
172.12314	5.0
173.06087	2.1
173.09625	7.2
173.13251	21.3
174.10504	2.1
174.13641	3.3
175.11232	13.0
175.14832	14.6
177.12784	3.2
179.08649	10.4
179.10275	2.2
180.09410	4.5
181.10080	16.6
181.12238	7.5
182.10857	8.9
183.11716	24.5
184.12291	4.7
185.09601	3.2
185.13258	20.3
186.13832	3.0
187.11198	8.9
187.14825	10.7
189.11226	5.8
189.12767	7.8
191.10678	3.1
191.14305	7.9
192.09309	4.8
193.10143	12.1
194.10867	10.1
195.11662	24.8
196.12384	6.8
197.09642	2.7
197.13234	25.4
198.13707	4.7
199.11108	6.1
199.14853	13.1
201.12708	8.0
201.16388	6.8
203.14307	10.0
205.10239	2.8
206.10843	5.1
207.11664	15.9
207.13623	4.2
208.12402	6.6
209.09627	2.0
209.11665	2.9
209.13300	23.8
210.13869	5.5
211.11159	2.5
211.14824	18.2
212.15239	2.9
213.12730	5.9
213.16420	4.5
215.14287	5.5
217.15913	6.1
219.11752	5.1
219.17332	3.5
220.12396	3.8
221.13214	11.0
221.15372	25.6
222.13809	4.6
222.15787	3.2
223.11145	2.2
223.14928	13.7
224.15506	2.9
225.12744	5.1
225.16379	9.1
227.14395	5.7
227.17871	3.4
231.11606	3.5
231.13722	2.6
231.17410	3.4
232.12372	4.6
233.13159	7.8
233.15379	27.2
234.13864	3.6
235.14766	10.8
235.16904	4.5
236.15456	2.9
237.16389	8.8
239.17908	6.3
245.13223	4.8
246.13992	2.6
247.14841	6.6
248.15550	4.6
249.16498	5.7
250.17046	3.1
251.14272	2.6
251.17909	5.6
255.17485	6.4
256.17630	3.7
257.18985	5.8
259.14612	5.1
260.15482	2.5
261.16357	5.7
263.17941	3.9
265.19464	6.6
267.17404	3.0
269.19006	7.7
271.20227	3.9
273.16046	2.3
273.18549	23.6
275.20236	21.8
277.19492	4.6
281.18951	7.2
283.20581	4.6
287.20105	5.9
288.56830	2.4
291.16550	3.8
291.19574	67.8
293.21109	7.9
295.20621	5.6
299.20184	3.8
309.20645	2.8
331.24554	2.6
333.22134	4.4
339.65790	2.2
365.24789	2.4
373.25369	2.3
491.34949	5.4
521.37103	2.4
565.39532	5.8
583.41357	12.7
593.92365	2.3
601.42761	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	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.05506	23.9
56.02985	3.5
57.07052	10.3
59.04987	4.4
65.03916	4.3
67.05500	38.8
69.03418	15.3
69.07063	25.6
69.88976	15.4
71.04985	5.7
73.64777	3.5
73.94196	3.4
77.03927	3.5
79.05125	3.8
79.05502	35.4
81.03435	8.3
81.07063	45.2
83.04976	18.8
83.08611	16.6
85.06535	5.6
91.05485	63.1
93.07041	73.5
95.04962	23.2
95.08612	47.5
97.06522	12.5
97.10140	3.5
103.05454	4.6
105.07039	100.0
106.07385	4.4
107.04973	4.4
107.08598	78.4
108.08887	3.9
109.06488	16.4
109.10165	28.8
111.08083	8.2
113.09599	4.7
115.05417	4.3
117.07060	21.4
117.81960	3.2
119.07809	6.5
119.08594	84.1
120.08832	3.2
121.06496	7.0
121.10152	87.8
122.10479	5.0
123.08071	19.1
123.11678	10.3
125.06009	4.5
125.09640	10.5
126.72995	3.6
128.06206	15.7
129.07057	17.4
130.07747	8.6
131.08556	39.7
133.10132	64.7
134.10457	3.7
135.08044	20.7
135.11688	23.1
137.09590	11.2
139.11168	6.0
141.06969	10.7
142.07790	23.7
143.08578	43.9
144.09296	9.8
145.06493	4.4
145.10133	72.4
146.10487	3.6
147.08041	15.8
147.11671	23.8
149.09645	17.8
149.13306	7.3
151.07513	10.9
151.11203	8.2
153.06949	4.0
155.08522	15.6
155.10596	4.3
156.09332	19.9
157.10132	53.9
158.10822	6.0
159.08049	17.3
159.11685	34.1
161.09601	11.4
161.13226	11.6
163.11143	9.8
165.06989	7.6
165.09116	12.4
167.08525	9.0
167.10660	55.8
168.09302	10.1
169.10120	30.1
170.10785	8.6
171.11687	36.0
172.12190	6.0
173.09717	5.6
173.13269	25.2
175.11172	10.8
175.14856	11.6
179.08568	12.9
180.09186	5.2
181.10101	15.2
181.12221	7.7
182.10823	8.1
183.11694	28.3
184.12303	3.7
185.09727	6.3
185.13246	18.0
187.11151	8.0
187.14786	12.1
189.12802	6.3
190.13335	3.6
191.14365	8.2
192.09213	5.2
193.10097	14.6
194.10884	10.5
195.11723	19.9
196.12358	10.4
197.13223	22.2
198.13818	4.8
199.11067	3.5
199.14804	14.2
201.12712	4.1
201.16344	7.4
203.14267	11.7
205.15964	4.0
206.10864	6.7
207.11775	18.5
207.13565	5.1
208.12469	11.0
209.13295	28.1
210.13916	7.7
211.11073	4.7
211.14777	16.9
212.15477	3.9
213.12778	5.9
213.16423	5.6
215.14365	9.2
217.15900	7.4
220.12352	4.5
221.13170	10.6
221.15369	31.9
223.14799	18.3
225.12729	6.2
225.16379	8.9
227.14296	5.7
233.13098	8.5
233.15349	26.9
234.15971	4.7
235.14734	13.7
237.16411	5.8
239.18004	7.4
245.13100	5.4
247.14665	6.9
247.17014	4.7
249.16507	5.2
255.17358	4.7
261.16309	5.6
263.17880	6.7
265.19574	6.5
269.19070	9.5
273.18600	5.6
275.17715	4.8
277.19312	5.8
281.18900	6.0
283.20572	6.1
293.18686	3.8
295.20605	7.0
301.21686	4.2
317.22397	4.6
345.17230	4.3
349.25186	5.7
379.26102	4.3
547.79272	4.1
565.40350	7.1
570.73242	4.3
583.41339	10.7
589.52496	4.2
601.42236	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	601.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.8
55.01873	8.7
55.05259	2.2
55.05516	23.5
57.07077	12.1
59.04996	2.9
65.03941	4.3
65.85485	1.5
67.05508	39.0
69.03431	16.4
69.07069	32.1
69.44624	7.0
69.45046	5.7
70.06102	1.7
71.04979	4.8
77.03947	3.4
79.05497	45.0
81.03424	5.4
81.07064	45.8
83.04989	23.5
83.08620	16.7
85.06537	8.9
87.04472	4.6
89.06044	5.8
91.05485	62.1
93.07052	79.9
94.07397	2.3
95.04976	24.1
95.08614	45.2
96.08938	2.4
97.06533	19.3
97.10178	3.7
99.08090	1.8
103.05479	5.8
105.04543	3.5
105.07040	98.4
106.07346	2.9
107.04966	16.8
107.08605	75.5
108.08934	2.7
109.06538	18.1
109.10169	37.9
111.04465	5.4
111.08107	6.8
113.06012	2.5
113.09669	4.7
115.05449	7.5
116.06296	2.8
117.07021	23.7
119.08593	100.0
120.08896	3.7
121.06518	11.0
121.10155	80.3
122.10452	2.3
123.08080	17.0
123.11725	10.2
125.06068	1.8
125.09640	15.8
128.06218	15.2
128.45735	1.6
129.07016	20.5
130.07846	11.2
131.08580	44.4
132.09254	1.7
133.06520	5.3
133.07661	1.7
133.08620	3.3
133.10149	66.5
135.08067	24.0
135.11696	21.8
137.09633	14.3
139.11186	8.2
141.06972	11.6
142.07791	24.7
143.08588	44.0
144.09354	9.9
145.06422	3.1
145.10133	70.6
146.07259	2.9
146.10532	2.2
147.08041	15.4
147.11702	27.4
148.12137	1.6
149.09631	27.4
149.13274	4.7
151.07558	7.3
151.11157	3.9
153.07042	3.0
153.09183	3.8
154.07750	3.8
155.08537	14.9
155.10652	8.6
156.09340	16.3
157.10150	56.4
158.10753	7.6
159.08090	19.2
159.11694	40.8
160.08784	3.3
160.12103	3.0
161.09657	18.5
161.13251	8.5
162.13626	2.6
163.11264	10.3
163.14798	2.4
165.07031	4.9
165.09129	10.1
166.07672	3.0
167.08636	10.1
167.10689	62.5
167.14345	2.3
168.09409	8.4
168.10733	2.2
169.10135	29.1
170.10861	9.0
171.11702	40.7
172.08794	3.2
172.12128	4.6
173.09650	8.2
173.11798	2.4
173.13258	25.6
174.13725	2.2
175.11191	12.8
175.14859	14.8
176.11612	2.3
177.12769	2.1
179.08607	10.5
179.14291	3.3
180.09329	7.2
181.10138	16.8
181.12257	7.4
182.10910	8.5
183.11722	25.1
184.08920	1.9
184.12296	4.9
185.09666	4.6
185.13272	17.3
186.13773	2.0
187.11197	3.8
187.14833	10.8
189.12730	9.0
191.08655	1.8
191.14282	10.0
192.09346	6.0
193.10146	9.9
193.12041	2.1
194.10901	8.5
195.11684	21.9
196.12344	7.4
197.09526	2.2
197.13287	18.6
198.13869	3.3
199.11205	6.1
199.14880	14.1
201.12831	5.8
201.16402	7.0
203.14325	7.6
205.10223	3.2
206.10918	5.2
207.11676	16.3
207.13737	4.4
208.12378	7.2
209.13269	23.4
209.15323	5.0
210.13922	6.5
211.11168	5.3
211.14799	17.4
212.15337	2.7
213.12807	6.3
213.16425	5.4
215.14351	7.6
215.17690	2.1
217.10123	3.4
217.12135	1.9
217.15926	5.5
219.11754	7.5
219.13881	3.3
219.17505	2.0
220.12520	3.9
221.13264	13.1
221.15417	25.6
222.13855	7.3
222.15912	3.5
223.14844	16.8
224.15410	3.5
225.12871	3.6
225.16394	11.3
227.14314	7.6
227.17938	2.8
228.79208	1.7
229.15840	3.6
231.11752	3.3
231.17412	2.7
232.12531	2.4
233.13216	8.5
233.15433	35.2
234.13998	2.8
234.16071	3.0
235.14848	8.7
235.16948	2.6
236.15627	2.8
237.12866	2.3
237.16385	8.5
238.16803	2.0
239.14307	3.2
239.17955	4.1
241.15894	3.6
241.19495	2.0
243.11620	2.9
245.13199	3.1
245.15425	2.3
245.18983	2.8
246.14029	4.6
247.14813	6.6
249.16469	6.5
250.16844	3.0
251.14481	2.4
251.17870	6.4
253.15845	3.3
253.19495	4.8
255.17561	8.6
256.17960	4.3
257.13120	2.3
257.19104	4.5
258.13831	2.6
259.14859	4.7
260.15482	2.7
261.16388	7.6
262.98419	1.9
263.17953	7.0
265.19418	5.4
269.19028	11.7
273.18671	11.8
275.17557	2.1
275.20331	11.0
277.15738	2.1
277.19519	4.9
279.17505	3.2
281.18915	4.6
283.20654	4.9
285.18637	3.0
287.20224	3.1
289.19366	2.5
291.19568	35.4
293.21304	3.1
295.20450	4.9
299.20074	5.1
301.21863	2.8
307.20673	2.6
311.19897	2.2
335.23480	2.2
343.24332	3.0
347.23767	2.9
349.24936	4.1
359.23416	1.9
361.25177	2.6
365.24756	2.0
366.25726	2.3
367.26627	2.2
384.26422	2.0
433.40439	2.1
491.35028	2.4
565.39844	5.4
583.41431	12.1
599.27344	1.7
601.43188	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.05510	6.4
57.07072	6.3
59.05003	2.7
61.59064	1.1
62.10114	1.1
64.71929	0.9
65.03938	1.6
66.29109	0.9
67.05502	14.6
69.03423	7.4
69.07065	6.2
69.49475	5.2
69.49896	2.0
71.05001	1.5
77.03895	1.0
79.05494	14.1
81.07058	18.1
82.07388	0.9
83.04977	3.0
83.08623	2.8
84.98241	0.9
85.06529	2.6
89.06019	1.0
91.05486	22.2
93.07048	30.7
95.04975	5.5
95.08611	19.1
97.06528	4.8
97.10198	1.9
103.05467	2.8
105.04612	1.1
105.07028	34.4
107.04980	1.1
107.08596	20.9
109.06504	7.0
109.10170	8.9
111.08081	3.4
113.09691	1.0
115.05446	2.9
116.06230	1.1
117.07027	11.0
119.08578	36.9
120.08922	1.4
121.06528	5.1
121.10159	17.7
122.10474	1.0
123.08074	13.7
123.11712	3.7
125.06007	2.8
125.09604	1.5
128.06232	3.6
129.07007	5.7
130.07797	3.5
131.08571	16.6
133.06535	1.8
133.10126	18.9
134.10461	1.2
135.08064	11.9
135.11699	6.8
136.12053	0.9
137.09613	12.7
139.11166	1.1
141.07021	2.8
142.07771	6.2
143.08563	15.6
144.09386	2.8
145.06528	1.0
145.10139	22.9
147.08040	21.8
147.11699	5.8
149.09608	4.2
149.13271	1.5
151.07567	10.7
151.11134	1.2
153.09177	0.9
155.08548	4.5
155.10649	1.2
156.09352	6.1
157.10135	17.6
158.10928	1.6
159.08075	2.8
159.11679	14.4
160.12111	1.1
161.09615	4.9
161.13222	6.1
163.11189	6.9
165.06979	2.1
165.09111	46.7
167.08611	3.0
167.10591	1.1
168.09409	1.9
169.10126	7.9
170.10954	3.8
171.11700	10.5
173.09651	3.1
173.13271	6.5
175.11209	3.8
175.14835	5.8
179.08507	1.7
180.09283	1.2
181.10150	4.1
181.12238	6.6
182.10944	1.7
183.11696	9.1
184.12177	1.6
185.13293	8.0
186.13832	1.4
187.11311	2.2
187.14886	2.2
189.12784	3.8
191.10704	1.3
191.14333	2.1
193.10175	3.5
193.12244	2.3
194.10883	1.9
195.11720	5.7
195.13780	1.6
196.12321	1.7
197.13249	7.1
197.44478	1.0
199.11313	1.7
199.14848	3.1
201.12769	1.9
203.14305	15.8
207.11737	4.4
207.13870	5.6
208.12473	1.5
208.14365	1.3
209.13264	6.6
209.15169	1.6
210.14124	1.4
211.14877	4.3
213.16420	1.3
215.14415	2.1
217.15800	1.2
219.11742	1.3
219.13760	1.4
220.12553	1.5
221.13339	3.7
221.15355	100.0
222.15808	2.5
223.11243	1.6
223.14832	4.1
225.12758	1.9
225.16473	2.8
227.14413	1.1
231.13771	1.7
233.13376	1.5
233.15492	1.0
234.14026	1.2
234.16277	2.0
235.14749	2.4
237.16496	2.8
239.14482	1.1
239.17999	1.3
247.14801	1.4
247.17088	2.6
249.16389	2.0
251.17900	1.2
253.16014	1.2
263.18127	1.1
265.19562	1.4
275.17819	1.4
277.19662	1.1
279.17267	1.4
283.20636	1.6
285.18558	1.0
286.19354	1.5
287.20084	3.9
297.22333	1.2
299.20078	3.6
300.20731	1.3
301.21741	1.9
341.30563	1.2
351.22922	1.0
352.23920	4.9
353.24420	3.3
357.25906	1.0
360.93524	1.1
365.24683	2.0
367.26434	3.4
375.27072	1.8
393.28314	1.5
433.08066	1.3
455.31912	2.3
491.35284	9.0
509.36313	3.4
521.36139	10.9
580.52307	1.1
583.41565	10.2
601.42566	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27783	2.9
53.03934	5.5
55.01861	4.4
55.05512	19.7
57.07066	10.4
58.99910	2.6
65.03938	6.5
67.05508	32.3
69.03424	18.3
69.07072	24.1
69.42075	24.9
77.03918	5.5
79.05495	40.1
81.07063	50.0
83.04980	20.4
83.08623	13.0
84.95207	3.0
85.06537	8.0
87.04471	4.0
91.04905	3.4
91.05479	64.4
93.07052	90.2
95.04987	19.5
95.08606	36.2
97.06530	14.8
97.10182	3.5
98.20776	4.6
103.05466	8.2
105.07034	100.0
107.08595	81.1
109.06511	13.0
109.10170	31.8
111.08076	5.4
113.09644	8.5
115.05482	4.6
117.07013	21.3
119.08585	94.0
119.42903	3.3
121.06501	11.2
121.10151	88.7
122.10519	4.0
123.08060	12.2
123.11686	9.7
125.05923	2.9
125.09625	15.8
128.06213	11.8
129.07010	18.8
130.07773	8.9
131.08586	45.5
133.06476	4.5
133.10135	62.8
135.08061	16.4
135.11685	19.9
137.09598	10.5
139.11197	7.2
141.06999	11.0
142.07796	25.6
143.08585	44.5
144.09370	14.2
145.06558	4.9
145.10129	65.9
146.10655	4.2
147.08057	11.1
147.11696	22.8
149.09648	22.4
149.13219	5.0
151.11160	4.4
153.07019	6.9
154.07681	4.2
155.08533	16.9
155.10649	9.6
156.09372	18.8
157.10149	56.3
158.10847	5.9
159.08092	15.1
159.11705	47.9
160.08691	3.5
161.09613	17.5
161.13300	7.0
163.11188	10.0
165.06961	4.4
165.09120	10.7
167.08522	11.8
167.10696	69.1
168.09308	6.6
169.10133	30.7
170.10883	9.9
171.11665	36.8
172.08838	3.2
172.12068	4.5
173.09608	6.6
173.13263	24.5
175.11227	9.2
175.14868	16.2
177.12737	2.9
178.07858	4.0
179.08646	13.3
180.09280	6.7
181.10112	13.8
181.12234	8.6
182.10889	9.2
183.11696	24.8
184.12383	5.2
185.09564	4.7
185.13255	19.9
187.11142	7.5
187.14778	12.0
189.12730	9.3
191.14258	5.1
193.10130	13.4
194.10909	8.0
195.11694	25.6
196.12274	8.4
197.13246	26.3
198.13564	3.2
199.11140	5.9
199.14842	16.0
201.12700	7.9
201.16397	5.4
203.14319	8.8
206.10834	5.0
207.11763	13.2
208.12315	5.2
209.13240	22.2
210.13904	4.6
211.11121	3.3
211.14833	18.3
213.12718	5.5
213.16411	6.4
215.14407	6.6
217.15935	4.0
219.11699	6.3
220.12408	6.5
221.13203	14.7
221.15376	18.3
223.14729	16.1
225.12717	3.5
225.16345	9.9
226.16901	4.5
227.14363	3.8
233.13222	7.5
233.15363	36.8
234.16002	4.9
235.14807	11.2
237.16409	8.4
245.13174	6.6
246.13852	3.7
247.14835	6.4
249.16425	7.2
251.17993	8.9
253.19553	3.2
255.17586	5.2
256.17734	3.4
259.14752	5.5
259.20654	3.9
261.16318	6.5
262.16876	3.0
263.17947	3.3
265.19461	4.6
267.17712	4.2
269.18970	10.8
271.20282	3.5
273.18674	5.7
275.17822	4.4
277.15988	3.9
277.19470	5.5
281.18988	6.6
283.20477	6.7
287.20163	5.9
295.20679	5.1
299.20215	6.4
303.21097	3.2
306.24139	3.0
319.20230	2.6
335.23740	5.1
347.23685	3.7
348.24277	3.9
349.25510	5.2
359.23596	4.6
361.25134	3.6
365.24988	3.3
367.26547	4.8
547.38507	3.9
565.40271	6.8
583.41266	12.5
601.41986	12.5
627.74762	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03947	2.4
55.01873	1.2
55.05519	7.0
55.20197	0.8
56.45943	0.8
57.07082	6.8
57.32570	0.8
59.05001	3.3
65.03925	1.7
67.05511	9.8
69.03427	6.2
69.07076	5.0
70.68541	0.9
70.68886	2.1
71.01331	0.9
71.05586	0.8
79.05499	11.6
81.07061	14.9
83.04987	3.5
83.08618	3.2
85.06542	3.4
91.04967	1.4
91.05490	18.2
93.07052	31.1
94.07356	1.0
95.04961	5.3
95.08617	16.1
97.06541	3.8
103.05497	1.4
105.07038	33.7
106.07341	1.8
107.04950	1.2
107.08604	19.1
109.06536	7.1
109.10143	8.1
111.08096	2.8
115.05465	2.7
117.07029	9.2
119.05058	0.9
119.08592	38.1
120.08937	2.5
121.06534	4.1
121.10146	19.4
122.07284	1.2
123.08074	15.0
123.11728	2.1
124.08344	1.1
125.05994	4.4
125.09581	0.9
126.06295	0.9
128.06252	3.7
129.07051	5.3
129.50177	0.8
130.07777	2.8
131.08578	14.3
131.09531	1.2
132.08905	1.1
133.06499	2.5
133.10146	17.3
135.08052	12.4
135.11699	7.1
137.05984	2.1
137.09650	13.0
139.07607	1.7
139.11223	1.1
141.07027	1.7
142.07819	6.2
143.08580	12.9
144.09325	3.4
145.06493	1.1
145.10136	24.6
146.10472	2.0
147.08058	20.0
147.09218	1.1
147.11667	6.6
149.09692	4.8
149.13432	1.2
151.07556	13.1
153.09071	1.4
155.08549	5.4
156.09361	5.5
157.10144	15.4
158.10818	2.5
159.08049	2.1
159.11694	16.1
160.12247	1.4
161.09601	6.4
161.13268	7.2
162.13591	0.9
162.16125	1.0
163.11154	7.7
164.11568	1.1
165.07043	1.9
165.09126	45.4
166.07777	1.1
166.09468	1.9
167.08644	2.2
168.09387	1.7
169.06474	0.9
169.10178	7.8
170.10870	3.0
171.08076	1.1
171.11694	11.6
172.08830	0.9
172.12151	1.3
173.09631	4.2
173.13254	7.2
174.10321	1.2
175.11192	5.1
175.14844	5.9
176.11537	1.6
177.09164	2.9
177.12724	1.3
179.08612	2.7
179.10706	1.6
179.14337	1.3
180.09193	1.1
181.10179	4.3
181.12225	8.1
182.10948	2.0
182.12646	1.2
183.11761	7.7
184.12225	1.8
185.09683	1.4
185.13252	7.0
187.11218	3.1
187.14857	4.1
189.12711	6.2
190.13507	1.5
191.10738	1.6
191.14304	1.8
193.10196	2.0
193.12260	2.8
194.10933	1.2
195.11707	5.7
196.12363	2.7
197.13211	6.4
199.11131	1.9
199.14850	3.2
201.12791	1.8
201.16377	1.7
203.14340	15.3
204.14523	1.3
206.10878	1.2
207.11720	3.9
207.13858	6.9
208.12454	1.7
208.14511	1.8
209.13290	6.5
209.15324	3.7
210.13879	1.2
211.14848	5.9
212.15118	1.2
213.12753	1.7
213.16275	1.3
215.14220	1.0
217.15878	1.0
219.11795	1.4
219.13800	1.5
221.13356	4.0
221.15372	100.0
222.15767	8.1
223.14897	2.7
225.12692	1.3
225.16415	2.3
226.13167	1.0
227.14334	1.6
231.11520	1.1
231.13763	1.4
233.13332	1.9
233.15427	1.8
234.16135	3.6
235.14801	2.5
235.16846	2.1
237.16386	3.1
239.14320	1.6
239.18015	2.1
245.15501	1.2
247.14687	1.7
247.16975	4.9
248.17377	2.6
249.16264	1.7
261.16354	1.9
263.17963	1.1
269.18964	1.5
274.19302	1.5
283.20517	1.4
285.18686	1.6
286.19193	2.6
287.20071	6.4
288.20447	1.6
295.20728	1.0
297.22064	1.0
299.20087	4.1
300.20795	5.1
301.21658	3.6
311.20056	1.5
312.20532	2.4
313.21533	2.7
325.21671	2.0
326.22104	1.3
327.23038	1.2
337.21890	1.7
340.23996	2.4
341.24661	2.2
352.23920	4.1
353.24399	5.4
359.23499	0.9
366.25366	1.8
367.26340	6.6
375.26834	2.9
378.25366	1.5
379.26331	0.9
391.25992	1.3
392.26794	1.5
393.27823	2.9
403.29639	1.3
419.29688	1.1
420.29980	1.5
421.30908	1.5
426.27151	1.9
427.28333	1.6
428.28976	2.5
440.29214	3.6
441.29742	8.0
455.31787	1.5
491.35297	9.8
508.35059	1.4
509.36087	3.0
511.93759	1.1
520.35468	2.0
521.36011	11.0
565.40228	0.9
583.41608	10.3
586.39545	1.1
601.42468	33.5
618.71790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01868	1.7
55.05515	9.8
57.07074	6.8
59.04990	2.9
62.17108	1.1
65.03934	1.9
67.05508	17.6
68.84891	1.0
69.03435	9.1
69.07069	10.2
71.04993	2.7
71.43138	1.5
77.03948	1.3
77.72635	0.9
79.05495	17.0
80.06265	0.9
81.07062	23.6
83.04989	5.6
83.08617	5.7
85.06571	5.1
87.04466	1.4
89.06054	2.0
91.05486	26.0
92.05786	1.2
93.07047	43.0
95.04984	9.0
95.08617	24.1
96.08943	1.1
97.06535	7.0
97.10190	2.0
103.05478	3.1
105.07036	47.6
106.07357	1.9
107.04968	1.1
107.08601	29.4
108.08886	0.9
108.26573	1.0
109.06535	11.5
109.10152	15.9
111.08090	2.4
113.06001	1.3
113.09667	1.8
115.05495	2.6
117.07008	10.8
119.08585	51.2
120.08916	2.0
121.06550	6.1
121.09312	1.9
121.10149	26.1
122.10489	1.7
123.08071	16.2
123.11726	4.5
123.38889	1.1
125.05990	4.5
125.09663	3.4
128.06219	3.5
129.07018	8.8
130.07780	3.9
131.08578	19.8
132.09100	1.6
133.06439	1.5
133.10146	28.0
134.10500	1.6
135.08051	12.3
135.11693	9.0
137.09618	14.5
139.11237	2.1
141.07007	3.9
142.07771	9.5
143.08566	19.4
144.09407	6.4
145.10133	33.9
146.10483	1.2
147.08052	23.3
147.11708	10.5
148.08466	1.2
149.09650	6.0
149.13257	2.4
151.07565	9.3
151.11237	2.0
155.08591	8.0
155.10692	4.2
156.09355	6.8
157.10139	23.6
158.10657	3.5
159.08035	3.9
159.11707	25.4
160.08800	3.0
160.12079	1.4
161.09628	7.5
161.13228	7.0
163.11195	8.3
164.11475	1.1
165.06982	2.4
165.09128	43.1
166.07738	2.0
166.09462	2.0
167.08618	3.9
167.10760	2.3
168.09349	2.2
169.10143	11.8
170.10872	6.1
170.70782	1.1
171.07956	1.3
171.11708	16.9
172.12187	1.7
173.09579	3.9
173.13251	9.0
175.11234	7.6
175.14854	5.8
177.09178	2.1
177.12772	1.6
179.08588	3.1
180.09216	2.0
181.10129	6.3
181.12247	8.1
182.10896	3.9
183.11703	12.6
184.12419	1.8
185.09642	2.3
185.13284	10.8
186.10350	1.1
187.11201	2.7
187.14832	4.3
188.11639	1.2
189.12769	4.6
190.13528	1.3
191.14333	1.9
192.09433	1.4
193.10167	4.0
193.12303	2.9
194.10915	3.4
195.11732	9.1
195.13565	1.7
196.12396	3.8
197.09761	1.0
197.13306	8.3
198.09889	1.1
198.13760	1.4
199.11165	2.0
199.14842	4.0
201.12788	2.0
203.14339	15.3
204.14645	1.1
205.10182	1.2
205.15875	1.4
206.10979	2.5
207.11732	4.7
207.13860	5.7
208.12416	2.4
208.14522	1.1
209.13243	8.9
209.15323	2.6
210.13858	1.5
211.14778	6.1
212.15289	1.5
213.12917	1.5
213.16455	2.5
215.14345	3.1
217.15910	1.4
219.11763	2.8
219.13867	0.9
220.12387	1.2
221.13351	5.2
221.15367	100.0
222.13857	1.8
222.15680	5.6
223.14783	6.3
225.16397	3.3
227.14409	1.5
227.17876	1.4
229.15952	1.4
233.13246	2.1
233.15393	2.3
234.13966	1.3
234.16159	3.0
235.14763	2.7
235.16817	1.7
236.15439	1.3
237.16441	2.3
239.17943	1.9
241.15883	2.0
245.13255	1.5
247.16977	3.3
248.17383	1.5
249.16402	2.3
251.18150	1.5
263.17981	1.8
265.19510	1.6
273.18762	1.2
274.19235	1.3
275.20020	1.6
283.20520	1.1
285.18411	1.9
286.19409	2.3
287.19928	4.5
289.19418	1.4
293.19086	1.5
299.20053	3.8
300.20667	2.8
301.21713	4.1
312.20987	1.6
325.21881	1.3
326.22238	1.3
337.21616	1.4
340.24042	1.8
352.24075	4.2
353.24335	4.8
365.24792	2.2
367.26364	4.5
390.25394	1.2
440.29324	1.9
441.29636	4.6
443.31067	1.2
455.31287	1.2
491.35254	8.3
509.36017	4.0
521.36029	9.7
565.40588	1.9
583.41425	11.4
601.42450	33.5
601.56464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
53.50627	6.3
55.05494	14.1
55.36701	7.0
57.07066	16.6
57.07336	6.5
61.82243	5.9
67.05493	22.2
67.63083	6.3
69.03443	8.4
69.07059	17.6
71.58244	11.6
71.58616	6.4
76.67485	5.6
79.05487	23.4
81.06667	5.3
81.07064	48.0
83.08625	12.0
85.06543	8.4
89.06040	12.0
91.05482	43.0
93.07060	55.4
95.04972	20.1
95.08620	41.2
97.06525	14.9
105.07032	73.8
107.08613	37.0
109.06505	21.7
109.10153	28.4
117.07039	10.6
119.08593	68.2
121.06499	13.1
121.10144	37.0
123.08073	30.0
123.11662	16.3
125.05927	7.4
125.09629	10.5
128.06177	8.3
129.06989	8.2
131.08575	25.6
133.08638	10.4
133.10138	37.3
135.08151	10.8
135.11717	14.6
135.56160	6.5
137.09615	12.2
142.07758	10.4
143.08540	26.4
145.10130	61.1
147.08057	28.4
147.11702	8.4
149.09593	9.8
151.07536	12.5
155.08551	10.1
156.09241	9.0
157.10144	27.7
159.11691	28.8
161.09671	9.6
163.11116	13.8
165.09074	37.4
167.08478	8.5
169.10147	13.9
170.10826	7.7
171.11685	18.0
173.13243	15.5
175.14854	9.1
181.10089	11.0
181.12381	9.2
183.11661	8.6
185.13300	12.1
197.13179	13.3
199.14702	9.2
203.14359	19.0
208.12187	8.0
209.13261	12.1
211.14708	9.3
221.13351	10.3
221.15396	100.0
247.16917	11.8
300.20767	9.2
367.26367	7.9
441.29306	8.3
521.35718	20.5
583.41333	19.5
601.24927	7.7
601.42804	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	601.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63636	0.3
63.98401	0.3
67.05486	1.0
69.07075	0.5
69.40958	0.3
69.49774	0.3
69.50111	2.5
79.05490	0.6
81.03423	0.4
81.07055	0.8
83.01099	1.7
91.05486	0.8
93.07028	0.4
95.01083	1.2
95.08595	0.6
96.01872	0.8
98.20790	0.8
105.07053	0.6
107.08598	0.4
119.08548	0.5
133.10161	0.5
135.11723	0.6
139.03668	0.5
139.60643	0.4
143.49927	0.3
145.10129	0.4
156.03918	1.8
157.04704	0.6
163.03854	0.5
184.03436	2.4
185.04245	2.1
201.03706	3.2
203.05167	1.8
215.05328	0.6
223.13165	0.6
224.08058	0.5
258.07217	0.4
259.07944	3.1
269.13608	2.2
271.15479	0.5
331.10107	2.6
345.11456	0.6
359.13110	0.9
373.14874	0.9
387.16153	0.5
398.75122	0.4
401.18185	0.5
409.16190	0.5
427.17273	0.4
429.17459	0.6
431.18921	100.0
432.19241	1.3
457.20599	1.5
459.22256	2.9
487.21500	3.2
503.20935	1.1
517.01587	0.4
540.11859	0.4
586.71063	0.4
587.40729	0.3
601.21844	4.1
601.28711	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	601.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
58.99832	0.5
67.05468	1.7
69.07053	0.7
69.79583	1.5
79.05466	1.6
81.07015	1.6
83.04992	0.5
85.01389	0.5
91.05473	0.7
93.07010	1.3
95.08559	1.5
101.00809	0.6
103.02412	1.1
105.07012	0.8
107.08583	1.1
107.49383	0.4
109.10155	0.7
115.02443	0.7
115.03700	3.8
115.43607	0.4
118.52161	0.5
119.01901	0.9
119.08548	1.5
121.10114	1.1
128.99797	0.5
131.01846	1.6
133.03479	7.3
139.02354	1.0
143.01941	0.5
145.03423	1.7
145.10104	0.7
149.02040	1.2
151.04517	2.2
153.03928	0.5
157.03423	2.4
159.04987	0.6
161.02931	2.0
167.01907	1.8
169.03456	1.4
171.05009	2.4
175.04500	1.5
182.98061	1.4
185.02960	3.9
187.04491	1.3
189.05994	0.6
199.04428	0.5
201.06111	5.2
203.04031	0.7
212.98311	0.6
213.05991	0.8
217.05600	1.5
220.99567	0.8
229.05333	0.5
230.97719	1.0
230.99477	2.8
239.00749	1.7
241.05583	1.3
248.99178	2.7
267.00198	2.4
281.01730	3.3
285.01324	0.8
301.20117	26.6
302.20490	0.6
305.01840	1.9
319.21283	2.5
323.03278	1.1
335.25934	0.7
341.04947	11.5
342.22827	2.0
357.24127	1.3
359.04733	0.8
375.25058	100.0
417.26462	1.0
503.29721	1.4
513.23950	0.7
525.50171	0.5
541.23096	5.7
565.23029	1.7
583.25226	6.2
598.21606	0.5
601.25580	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.96547	0.6
57.30305	0.3
60.77813	0.2
67.05505	0.9
69.03432	0.3
69.07061	0.5
70.06576	0.5
71.57159	0.4
79.05513	0.6
81.03399	0.4
81.07050	1.2
84.08129	0.4
85.02909	0.5
85.06516	0.3
86.09684	0.4
88.70730	0.2
91.05496	0.4
93.07033	0.6
94.06533	0.2
95.04964	0.4
95.08593	0.7
97.02896	0.4
97.06541	0.9
98.97567	0.4
105.07021	0.8
107.08618	0.5
109.06522	0.3
109.10150	0.9
119.08552	0.3
120.08149	1.2
121.06516	0.2
121.10104	0.3
123.10945	0.2
123.11697	1.6
124.07522	0.3
131.04897	0.3
133.10173	0.6
135.04375	0.3
135.11687	0.3
143.00151	0.3
143.08624	0.3
147.04408	0.6
149.01212	0.3
151.11180	0.8
161.09573	0.3
174.09149	4.0
185.08382	2.7
195.09154	0.9
196.09889	1.4
197.10744	0.6
198.09175	0.8
198.11453	0.4
200.10760	0.5
209.10779	1.5
210.07762	0.4
210.11491	0.6
211.08632	0.5
211.12318	0.9
212.10864	2.5
212.12813	0.4
213.10318	0.4
214.10991	1.7
223.08638	0.8
223.12289	1.2
224.09506	0.7
224.12997	0.4
225.10127	2.7
226.10953	0.3
227.11826	0.9
236.09535	0.8
237.10226	3.8
238.10945	1.3
239.11809	5.4
240.12585	2.2
241.09766	1.3
241.13400	1.1
242.10477	5.1
251.11781	3.1
252.12549	4.6
253.09689	0.6
253.13344	3.2
254.10440	0.3
255.11194	0.7
259.09708	0.4
264.09033	0.4
265.09650	0.4
266.10480	0.7
267.11285	3.1
268.12000	0.6
269.12839	0.3
270.13565	0.4
279.11319	0.8
280.12070	22.7
281.12894	1.1
283.10760	1.0
285.12332	2.0
292.08606	0.3
297.12396	2.0
299.14035	1.0
301.11710	0.5
310.09387	1.5
313.07025	0.3
317.24719	0.8
325.11832	100.0
326.12119	0.8
335.25821	1.2
343.13004	1.6
373.15817	0.3
499.22189	0.5
541.26880	0.3
583.25214	0.5
601.26953	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.6
53.03934	6.2
55.01872	2.5
55.05519	17.8
57.07081	14.7
59.04988	6.2
65.03922	3.7
67.05508	30.0
69.03439	18.7
69.07064	17.4
70.06596	13.7
70.82327	5.0
71.04976	3.4
79.05488	36.6
80.05820	2.7
80.06242	2.6
81.03413	2.5
81.06584	3.5
81.07056	48.6
83.04984	17.5
83.08616	9.3
85.02920	2.0
85.06532	8.7
89.06034	10.8
91.05482	60.4
93.07046	81.2
94.07365	2.7
95.04976	24.4
95.08601	42.8
96.08888	2.1
97.06528	16.8
97.10143	2.1
103.05441	6.6
105.07030	100.0
106.07322	3.8
107.04957	4.5
107.08598	72.3
109.06522	24.3
109.10164	23.1
111.08065	7.4
115.05449	6.7
116.06296	4.3
116.07091	18.3
116.08180	2.9
117.07009	25.1
119.04924	4.1
119.08585	89.9
120.08881	4.3
120.49466	2.2
121.06514	16.0
121.10154	56.8
122.10429	2.7
123.08065	35.7
123.11702	5.8
125.05977	6.5
125.09625	7.3
128.06169	16.1
129.07001	24.5
130.07809	10.3
131.08578	52.7
132.09315	2.0
133.06506	14.5
133.07407	2.4
133.08566	4.8
133.10135	55.9
135.08063	25.5
135.11697	17.4
137.06001	3.5
137.09619	19.2
139.11182	5.4
141.07010	13.4
141.49626	2.4
142.07777	30.6
143.08568	57.4
144.09360	18.9
145.06425	5.5
145.09047	4.1
145.10129	65.7
146.07237	3.4
146.10628	2.3
147.08052	37.4
147.09190	3.2
147.11710	21.7
148.08713	2.2
149.09615	24.1
151.07539	17.2
151.11142	2.5
153.07002	4.4
153.09140	2.9
154.07730	3.4
155.06207	2.1
155.08585	25.6
155.10547	3.1
156.09357	22.2
157.06503	2.5
157.10136	83.8
158.10864	14.8
159.08076	21.8
159.11694	40.7
160.08810	6.0
160.12115	3.3
161.09598	26.6
161.13255	9.1
163.11180	21.3
165.06944	6.9
165.09122	48.7
166.07762	2.3
167.08556	11.8
167.10669	13.0
168.09294	8.3
169.10138	31.8
170.10884	10.3
171.08022	5.4
171.11699	42.9
172.08786	4.4
172.12477	11.4
173.09627	16.6
173.13261	18.6
174.10315	4.3
174.13579	3.0
175.11198	27.0
175.14865	4.5
177.09106	3.3
177.12679	4.3
178.07764	3.5
179.08580	15.3
179.10663	5.3
180.09291	9.6
180.11287	2.6
181.10124	20.7
181.12157	13.9
182.10886	14.1
183.11696	30.0
184.12303	6.6
185.09628	6.1
185.13245	26.1
187.11169	12.0
187.14799	7.9
188.11864	2.9
189.12750	15.8
190.13524	9.4
191.08659	2.3
191.10667	5.0
191.14275	4.8
191.57446	2.3
192.09279	5.3
193.10127	17.0
193.12224	11.2
194.10953	11.1
195.07982	2.5
195.11699	27.8
195.13535	4.0
196.12424	8.5
197.09584	7.3
197.11636	3.9
197.13274	24.3
198.13777	2.7
199.11203	10.4
199.14777	9.3
201.12691	11.0
201.16336	3.2
203.14297	29.0
205.10202	4.0
205.12105	3.1
206.10837	6.6
207.11671	18.7
207.13756	15.4
208.12444	8.3
208.14543	7.4
209.09508	2.8
209.13220	25.7
209.15321	5.8
210.10257	2.9
210.13905	3.8
211.11176	4.4
211.14778	12.9
213.12750	11.1
213.16422	5.3
215.10622	2.4
215.14310	8.1
216.15099	3.3
217.10161	4.0
217.12209	3.5
217.15765	3.9
218.10895	4.0
218.16603	5.0
219.11656	6.6
219.13731	5.1
220.12442	4.9
221.13275	13.8
221.15350	87.2
222.13913	4.6
222.15730	6.3
223.11229	3.5
223.14879	17.5
224.11813	3.1
225.12701	8.1
225.16391	7.0
227.14301	7.1
229.12245	3.3
229.15910	4.7
231.11650	4.7
232.12479	4.7
233.13213	10.7
233.15344	23.4
234.16086	12.8
235.14893	12.5
235.16885	3.7
237.12700	4.9
237.14633	33.6
237.16875	4.0
238.13493	2.4
239.14372	6.0
241.15868	4.6
243.13811	3.8
245.13182	6.9
246.14008	6.0
247.14787	4.9
247.16948	9.4
248.13989	13.2
249.16376	9.1
251.14326	3.3
251.18121	3.8
253.15860	5.7
255.17487	27.1
258.13748	3.0
259.14673	5.2
259.17105	3.5
261.16330	9.3
263.18085	3.9
265.15863	6.1
267.17386	5.3
268.18283	3.3
269.18890	6.8
270.19598	7.6
271.17026	6.5
272.17831	2.8
273.18610	4.9
274.19168	7.4
275.17551	3.8
275.20236	4.5
277.19406	3.1
279.17334	6.5
281.18954	8.3
285.18539	9.1
286.19318	12.5
287.20236	11.8
289.19525	3.6
294.19751	7.6
295.20425	4.4
297.18402	5.8
298.19452	2.9
299.20291	15.3
303.19516	50.9
312.20868	4.7
313.21835	10.3
319.20493	3.4
322.22937	2.8
325.21707	17.2
333.21951	2.9
337.21524	9.9
345.21851	2.8
347.23740	3.7
352.23969	94.0
352.28403	4.4
359.23712	2.8
365.24838	20.0
374.25861	4.6
377.24915	4.3
378.25436	2.3
383.25708	9.6
420.30307	4.2
424.08008	2.6
487.32108	5.4
492.36615	2.5
502.34406	10.7
503.34808	5.0
505.33014	6.7
507.34720	13.0
508.35217	10.8
520.35529	53.7
531.86176	2.5
561.71069	2.2
567.37567	3.0
582.40234	7.6
583.41479	2.6
585.39069	4.9
600.31946	4.0
600.41241	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06385	2.0
53.03944	3.2
55.01860	3.3
55.05511	15.3
55.42476	2.0
57.07081	10.2
59.05005	4.8
62.22741	2.1
65.03951	2.9
65.88628	1.7
67.05506	24.8
69.03439	12.1
69.07071	15.6
69.26167	15.7
76.35139	2.2
76.49942	1.7
77.03931	3.2
79.05502	29.3
81.03446	4.6
81.07066	33.6
83.04991	15.0
83.08619	9.8
85.02942	1.9
85.06555	6.1
89.06030	7.8
91.05482	44.4
93.07050	64.5
95.04980	19.0
95.08611	37.4
97.06551	11.8
97.10197	3.3
103.05481	3.6
105.07039	81.6
107.04975	5.5
107.08601	51.5
107.09297	3.5
109.06523	18.7
109.10181	20.0
111.04422	2.2
111.08097	7.7
113.09653	2.4
113.48645	1.8
115.05490	4.9
116.06264	2.4
117.07016	18.7
119.08584	74.2
120.09374	2.4
121.06528	15.0
121.10157	40.5
121.72195	1.7
123.08077	26.8
123.11729	5.2
125.06015	4.4
125.09612	10.6
128.06212	10.4
129.07019	17.2
130.07794	9.0
131.08577	38.8
133.06500	7.7
133.08655	3.7
133.10136	42.2
134.07272	2.5
134.11052	2.4
135.08063	23.1
135.11714	12.8
135.96490	2.2
137.05937	3.2
137.09642	15.8
139.07541	3.7
141.07016	7.1
142.07799	21.5
143.08574	37.9
144.09412	11.6
145.06496	4.2
145.09027	4.1
145.10136	54.3
145.11295	2.8
147.08057	30.1
147.11676	14.5
147.28069	2.0
149.09628	18.7
149.13319	3.0
151.07552	18.6
153.07021	2.4
153.09099	3.1
154.07777	4.4
155.08540	14.3
156.09348	13.2
157.10139	68.7
158.10777	8.1
159.08107	14.3
159.11700	34.2
160.08911	3.6
160.12172	2.0
161.09636	18.7
161.13248	9.6
163.07562	2.7
163.11188	18.8
165.07022	4.4
165.09135	40.7
166.07829	2.7
167.07271	2.1
167.08603	5.7
167.10713	12.8
168.09363	2.8
169.10149	25.9
170.10944	11.6
171.08127	4.0
171.11710	33.5
172.08833	3.8
172.12485	7.1
173.09627	13.3
173.13274	14.4
174.10416	2.5
175.11211	22.7
175.14859	5.5
177.12799	5.9
178.07719	2.8
179.08563	9.4
179.10709	5.3
180.09340	4.6
180.11423	2.8
181.10118	10.6
181.12157	10.9
182.10915	8.0
183.11708	21.9
184.12450	4.2
185.09676	3.7
185.13300	18.8
186.14023	4.2
187.11214	8.7
187.13260	2.1
187.14868	7.0
189.12735	12.8
190.13507	11.1
191.10645	3.1
191.14310	3.8
192.09320	3.2
193.10191	10.4
193.12268	12.2
194.10922	6.2
194.12854	2.4
195.08032	2.3
195.11716	21.3
195.13704	4.4
196.12440	5.7
197.09642	3.9
197.11681	3.0
197.13307	20.9
199.11218	8.5
199.14888	6.8
200.11775	2.2
201.12807	6.8
201.16382	2.1
203.14337	25.3
206.10811	5.8
207.11736	11.8
207.13832	15.4
208.12509	5.6
208.14604	9.9
209.09729	3.0
209.13261	16.6
209.15317	5.3
210.13995	3.5
211.11179	8.3
211.14781	13.8
212.11951	2.5
213.12779	10.1
213.16347	3.8
215.14313	5.3
217.10165	2.1
217.12253	1.9
217.15837	2.3
218.10870	2.4
218.16670	3.6
219.11752	5.9
219.13797	4.3
220.12494	4.7
221.13281	12.5
221.15353	100.0
222.13824	4.1
222.15724	6.4
223.11234	2.9
223.14922	9.3
224.12035	3.2
225.12788	7.3
225.16400	7.1
226.13379	2.0
227.14331	4.8
230.13072	3.1
231.11603	3.5
231.13828	4.0
232.12473	2.4
233.13277	7.3
233.15442	20.5
234.13982	3.5
234.16133	11.0
235.14946	10.6
237.12704	6.6
237.14728	39.0
239.14314	3.6
241.15823	4.4
243.13725	2.3
245.13223	3.3
246.13995	3.9
247.14813	4.2
247.17038	10.1
248.13937	17.7
249.16376	6.8
250.15613	3.6
251.14323	3.1
253.15985	5.7
255.17459	21.6
257.18930	2.5
259.14767	3.4
259.17203	3.2
261.16409	9.1
262.17151	2.5
263.18155	3.2
265.15814	4.1
267.17474	3.1
268.18323	2.0
269.19067	4.1
270.19833	7.1
271.17017	6.6
272.17590	2.4
273.18683	3.0
274.19318	14.4
275.17755	3.2
275.20410	2.8
277.19418	3.0
279.17447	5.0
281.15454	2.6
281.18936	6.5
282.19785	2.6
285.18475	6.7
286.19293	18.1
287.20224	11.4
294.19843	6.8
295.20746	4.6
297.18546	4.2
298.19238	2.3
299.20126	15.3
303.19598	54.2
303.22891	4.3
309.18478	3.0
310.19354	3.3
311.20099	4.0
312.20850	7.3
313.21765	14.9
319.20792	3.0
325.21689	17.4
337.21698	9.4
347.23605	3.0
352.23990	97.1
353.28809	2.7
359.23932	3.6
365.24780	20.0
377.24704	6.6
378.25497	2.9
383.25925	6.4
414.27689	3.0
420.30063	4.9
421.27496	2.6
429.28275	2.1
475.31888	2.4
487.32309	3.3
502.34366	13.5
503.35464	4.8
505.33591	4.7
507.34787	15.4
508.34937	7.8
520.35620	55.9
582.40466	7.4
583.41772	4.5
585.39105	6.0
600.41376	46.3
601.36615	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	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.1
57.07068	11.5
67.05508	30.5
67.08957	3.5
69.03415	12.3
69.07059	6.7
70.08434	12.9
70.08848	7.1
79.05498	26.3
81.07051	26.3
81.61317	3.4
83.04978	12.4
83.08607	7.4
85.06552	6.3
89.06027	14.8
90.62895	3.9
91.05479	36.5
93.07050	49.6
95.04966	16.7
95.08626	27.3
97.06543	7.6
105.07039	61.9
107.08614	36.0
109.06505	17.7
109.10172	15.2
110.72351	3.7
111.08054	4.6
115.05415	6.0
117.07015	17.3
119.08576	70.5
121.06467	8.6
121.10164	34.8
123.08081	29.9
123.11713	5.7
125.06063	5.6
128.06178	7.1
129.07033	19.7
130.07744	9.4
131.08586	30.5
133.06438	7.5
133.08679	6.6
133.10092	27.1
134.84047	4.7
135.08041	19.2
135.11676	9.1
137.09659	19.2
141.07024	5.1
142.07788	11.3
143.08548	34.6
144.09325	13.5
145.10121	58.3
147.08034	20.6
147.11665	12.0
149.09618	14.7
151.07561	16.1
155.08557	11.9
155.10684	4.8
156.09335	15.0
157.10123	48.7
159.11710	38.4
160.08868	4.8
161.09654	10.3
161.13208	5.5
163.11198	16.4
165.06906	5.4
165.09120	36.9
167.08549	7.8
168.09332	5.9
169.10123	22.2
170.10899	9.1
171.11685	37.4
172.12469	8.3
173.09695	5.5
173.13252	18.4
175.11169	21.9
177.09073	5.3
177.11301	5.4
179.08513	6.4
181.10161	11.2
181.12248	14.9
182.10957	6.4
183.11699	18.5
185.13240	12.2
186.10400	4.5
187.11195	9.8
189.12714	10.9
190.13530	9.5
193.10298	8.1
193.12236	12.7
194.10884	5.5
195.11659	22.8
197.13344	21.2
199.14812	7.0
201.12759	9.4
203.14334	14.2
205.12305	4.1
207.11667	10.2
207.13821	15.2
208.14554	10.5
209.13292	18.1
209.15239	6.3
211.14818	14.8
213.12723	6.3
215.14308	4.0
219.13741	7.0
220.46461	4.0
221.13393	8.3
221.15382	74.5
223.14870	10.0
224.15527	4.9
225.12917	5.8
225.16270	8.4
227.14265	5.6
231.11681	4.6
233.15334	5.4
234.16086	22.3
235.14815	6.5
237.16544	5.5
239.14516	4.7
247.14722	7.5
247.16965	16.2
253.16003	5.9
262.19333	4.3
267.17383	4.1
273.18503	5.2
274.19333	5.4
287.13095	4.5
287.20044	14.9
299.19962	10.4
313.21881	4.2
325.21594	16.0
326.22430	5.0
337.21677	5.2
340.23895	4.7
352.24002	69.8
365.24783	16.2
415.25592	4.3
420.30185	5.8
425.88510	5.4
440.29327	10.2
454.30872	5.1
507.34515	14.7
508.35168	9.9
520.35577	100.0
525.37250	4.7
585.40027	4.6
600.41254	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01858	13.7
55.05518	53.6
57.03426	3.3
57.07077	7.2
59.05008	5.0
65.03937	5.7
65.10625	2.7
67.05180	5.6
67.05510	85.8
69.03442	7.3
69.07072	47.5
71.01706	5.9
71.02029	2.7
71.04980	3.2
77.03902	3.7
77.53623	3.2
79.05505	53.0
81.07061	100.0
83.04973	14.2
83.08624	31.9
85.06527	10.3
85.71663	3.0
91.05485	56.7
93.06481	4.7
93.07050	88.4
95.04980	15.7
95.08607	69.0
97.06549	31.2
97.10170	20.6
99.08076	5.6
103.05416	6.4
105.04527	4.9
105.07036	82.8
107.08598	64.0
109.06545	8.0
109.10157	43.6
111.08059	9.6
111.11765	3.5
113.09632	5.8
115.05456	6.9
117.07017	39.0
119.08585	78.7
121.06493	5.8
121.10138	66.5
123.08104	16.3
123.11710	13.9
125.09676	22.0
128.06227	7.0
129.07013	22.8
130.07742	3.8
131.08568	52.5
133.10144	59.5
135.08040	12.4
135.11691	20.6
137.09576	7.0
139.11166	12.2
141.06976	9.5
142.07799	10.5
143.08591	42.4
144.09306	3.6
145.06436	3.8
145.10129	64.1
146.10846	3.6
147.08073	9.6
147.11707	30.5
149.09593	13.2
149.13231	12.4
151.07509	6.0
151.11165	3.6
155.08572	26.2
155.10645	7.1
156.09331	10.4
157.10146	43.3
159.08063	11.1
159.11693	44.7
161.09695	5.8
161.13254	18.3
163.11176	8.5
165.09103	12.1
167.08569	7.0
167.09224	4.4
167.10678	68.7
168.09380	4.9
169.10130	30.6
171.11690	33.7
173.09697	6.3
173.13249	29.0
175.11221	6.7
175.14847	9.4
179.08411	6.8
181.10110	14.1
181.12199	8.8
182.10867	4.3
183.11705	29.2
185.09590	3.7
185.13300	20.5
187.14851	15.6
189.12756	7.4
191.14400	4.6
193.10159	7.5
195.11746	20.2
197.13264	20.0
199.11171	3.7
199.14836	14.7
201.12660	3.1
201.16411	9.3
203.14427	5.9
207.11646	9.1
207.13876	6.3
209.13321	15.0
209.15195	3.4
211.14824	15.1
213.16336	11.6
215.14369	5.5
215.17899	6.5
221.13210	8.3
221.15355	28.3
223.14833	10.4
225.12488	3.8
225.16342	8.6
227.17953	5.9
233.13313	3.7
233.15363	19.1
235.14841	5.0
235.16983	3.2
237.16354	4.4
239.17909	5.3
241.15790	3.5
241.19614	5.2
247.16991	4.6
251.18045	5.6
253.15820	3.3
257.19052	5.1
259.14606	4.6
263.20108	4.0
275.20157	4.3
277.21661	5.8
281.19193	5.9
283.20514	4.3
291.23254	12.8
293.24869	3.4
297.22098	4.2
299.20096	8.5
299.23367	3.4
303.23199	5.4
305.24808	5.0
311.19974	6.6
311.23502	4.0
317.24582	3.9
331.26425	5.4
337.25128	5.4
345.27798	4.6
365.24512	4.9
391.26004	4.7
399.32651	17.9
405.31802	6.6
411.32935	3.6
423.32446	12.3
455.35211	13.6
487.31378	5.7
487.37885	67.9
497.36795	4.5
501.39191	6.3
517.40247	11.1
535.41327	9.3
541.42194	3.7
549.42731	13.1
567.44171	31.3
581.46191	56.1
599.39063	38.9
599.47675	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	599.4098
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03944	1.7
55.01876	1.8
55.05536	7.1
55.05745	1.4
57.07068	4.9
59.04999	1.6
65.03929	1.5
66.84078	1.3
67.05515	12.4
67.82739	1.1
69.03435	8.5
69.07071	16.1
71.05003	1.6
71.43761	1.2
71.68556	1.1
79.05502	13.0
81.07062	18.2
83.04980	5.4
83.08613	5.9
84.02229	1.3
85.06537	2.2
88.14461	1.3
91.05484	19.6
91.06031	2.3
93.07053	34.6
95.04976	9.6
95.08614	19.7
97.06535	5.6
103.05499	2.2
105.07039	30.2
105.87518	1.3
107.08606	24.4
109.06516	8.7
109.10155	11.0
111.08105	3.0
111.11774	3.0
111.13436	1.1
115.05439	2.0
117.07027	6.5
119.08592	31.7
121.06522	5.9
121.10160	46.7
123.08081	14.3
123.11724	5.7
123.71729	1.4
125.06008	1.6
125.09646	1.8
128.06236	3.6
129.07025	6.1
130.07796	3.0
131.08578	13.2
133.06488	3.3
133.10141	22.3
135.08125	6.6
135.11696	7.6
137.09581	6.6
139.11205	3.3
141.06998	3.2
142.07816	7.7
143.08549	12.6
144.09366	2.5
145.10133	23.3
147.08023	6.6
147.11729	7.8
149.09645	15.6
149.13322	1.6
151.07564	14.0
151.11197	1.7
153.07101	1.5
155.08588	7.2
156.09369	6.1
157.10141	21.2
158.10922	1.8
159.08119	6.8
159.11693	13.1
161.09665	6.2
161.13275	5.1
163.11220	4.8
165.07028	1.8
165.09152	11.9
166.07790	1.5
167.08511	4.3
167.10693	74.8
168.09380	2.3
169.10190	10.5
170.10947	2.8
171.08128	2.6
171.11694	14.7
173.09647	5.2
173.13268	9.9
175.11273	3.4
175.14844	5.8
177.09174	2.1
179.08545	3.4
181.10114	6.3
181.12236	4.0
182.10959	3.5
183.11746	8.6
185.09627	2.8
185.13220	6.3
187.11214	4.5
187.14848	4.3
189.12752	8.8
191.14374	3.1
192.09366	2.4
193.10179	4.1
194.10916	1.7
195.11693	9.7
195.13387	1.3
196.12500	2.5
197.13252	11.7
199.11151	1.8
199.14861	3.5
201.12819	2.0
201.16455	2.0
203.14372	4.1
205.15895	2.2
206.10970	3.3
207.11729	7.0
207.13885	5.1
208.12567	2.0
209.13300	9.2
209.15431	3.9
211.11229	1.9
211.14879	6.1
213.12865	3.2
213.16434	2.4
215.14337	5.2
217.16069	2.0
219.11722	3.0
219.17471	1.6
220.12361	2.3
221.13289	5.5
221.15317	25.4
223.11241	2.3
223.14835	4.7
225.12932	2.8
225.16463	3.2
229.15958	1.6
231.11742	2.1
232.12360	1.7
232.99861	1.6
233.13336	4.2
233.15392	26.1
234.13933	1.7
235.14857	3.6
237.12817	1.4
237.16478	2.8
239.17944	3.3
245.13315	2.1
246.13995	3.0
247.14857	3.5
247.17020	2.1
249.16568	2.0
251.14230	1.9
253.19724	2.0
255.17552	2.1
257.18976	1.5
259.14752	2.8
261.16367	2.7
267.17746	1.3
269.19006	1.6
273.16211	2.1
275.17899	2.1
281.18912	2.3
283.20706	2.9
287.20062	2.3
299.20111	4.5
311.20343	1.7
313.21701	2.1
351.23312	1.7
365.24921	3.1
373.25293	2.7
377.24756	3.9
391.26440	3.7
419.29639	2.0
507.34412	2.1
563.38885	3.6
571.41895	2.3
581.39764	23.5
599.41016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03956	2.0
55.01881	2.6
55.05508	10.1
57.07075	6.8
59.05010	3.3
59.82590	1.2
61.56986	1.4
62.83024	1.4
67.05507	15.2
69.03446	7.2
69.07070	15.1
69.52020	8.8
70.06614	1.4
71.05000	1.9
71.54206	1.4
76.20403	1.3
79.05491	15.1
81.03432	1.8
81.07062	19.6
83.05001	5.4
83.08627	4.7
85.06560	4.8
90.22971	1.3
91.05484	22.9
91.35526	1.2
93.07049	43.1
95.04980	11.3
95.08617	21.7
97.06516	10.0
98.21523	1.6
103.05473	1.5
105.07034	40.7
107.04944	2.0
107.08598	23.0
109.02938	1.3
109.06520	8.4
109.10162	10.0
111.04498	1.3
111.11732	3.1
112.10745	1.3
115.05458	3.4
117.06986	7.8
119.08577	34.1
119.09348	2.2
120.53680	1.4
121.06544	5.4
121.10148	58.8
123.08065	14.7
123.11705	7.1
125.05987	2.2
125.09671	2.8
127.03957	1.6
128.06241	4.4
129.07014	8.3
130.07802	2.9
131.08562	17.9
133.06531	2.8
133.07529	1.6
133.10138	22.2
135.08072	7.9
135.11691	8.9
137.09650	5.0
139.11201	2.1
141.07054	3.6
142.07838	7.7
143.08592	16.6
144.09407	3.4
145.06570	2.2
145.10126	30.1
147.08023	6.9
147.11661	7.3
149.09636	13.8
149.13297	1.7
151.07518	15.3
151.11232	2.1
153.07013	2.4
155.08600	6.8
156.09349	6.7
156.49344	1.4
157.10143	21.1
158.10942	2.0
159.08076	7.4
159.11691	12.6
161.09601	6.3
161.13324	4.7
163.11252	4.6
165.07059	2.7
165.09123	14.9
166.07880	1.5
167.08521	4.7
167.10684	100.0
168.09387	3.8
169.10149	14.1
170.10913	2.7
171.08145	2.5
171.11719	13.3
172.12479	1.4
173.09683	5.5
173.13280	9.6
175.11153	2.9
175.14967	4.6
177.09229	2.3
178.07800	1.7
179.08575	3.3
180.09430	4.0
181.10124	8.7
181.12291	4.3
182.10945	2.5
183.11673	10.7
185.09679	3.2
185.13370	5.9
187.11319	4.3
187.14911	5.6
189.12708	7.7
191.14389	3.9
192.09401	2.2
193.10226	3.3
194.10909	4.2
195.11682	7.5
196.12474	3.2
197.13235	10.3
199.11276	4.1
199.14882	5.8
201.12874	4.3
201.16362	1.8
203.14406	5.8
205.10228	1.7
206.10953	2.8
207.11794	4.5
207.13907	5.9
208.12589	4.3
209.09654	1.5
209.13338	7.5
209.15230	2.5
211.11313	2.1
211.14780	6.7
213.12825	3.0
213.16521	2.7
215.14413	5.3
217.10210	1.9
217.15927	2.7
219.11810	3.4
219.13870	2.1
220.12494	2.2
221.13326	7.8
221.15477	24.3
223.11308	2.4
223.14919	5.5
225.12810	1.9
225.16318	2.5
227.14320	2.8
231.11873	1.9
233.13268	4.3
233.15323	30.4
233.17406	1.9
234.14212	1.8
235.14929	5.0
235.17049	2.6
237.12810	2.1
237.16533	3.7
239.14494	2.0
239.18100	1.5
245.13362	1.7
247.14868	3.5
247.17174	4.1
248.15700	1.6
249.16518	3.3
251.14456	2.3
251.18080	2.3
253.15877	1.6
255.17476	2.1
257.19138	2.2
259.14865	1.8
261.16357	2.3
269.19284	1.6
273.18817	2.6
277.15784	2.8
285.18820	2.5
286.19321	2.6
287.20526	2.1
293.19061	1.9
299.20212	5.4
311.20309	5.1
313.21597	1.7
359.24100	1.8
365.24857	3.5
373.25238	2.0
377.24939	1.8
391.26309	3.3
419.29620	2.8
443.30667	1.8
507.34808	4.9
543.34998	1.5
552.90594	1.7
563.39221	1.6
581.39990	16.1
599.41241	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01868	2.0
57.03435	0.8
59.05013	1.0
60.36800	0.6
65.03939	1.0
67.05502	1.3
69.03435	0.9
70.06594	3.1
70.90955	1.7
75.04481	0.6
77.24902	0.5
79.05490	6.0
80.25011	0.6
81.03416	0.7
81.07063	1.1
84.08144	0.9
85.02908	1.3
86.09709	1.6
90.67188	0.6
91.05482	6.8
93.03408	2.0
93.07022	1.7
95.04960	1.4
95.08601	0.7
97.02864	0.9
97.06536	1.1
98.97575	3.3
103.05492	5.0
105.07034	19.0
106.04173	3.4
107.04990	3.4
107.05600	0.6
107.08588	1.3
108.05731	0.6
109.02911	0.7
109.06510	2.3
111.04451	0.6
115.05437	1.2
116.98605	0.8
118.04167	5.4
119.04948	2.4
119.08578	1.0
120.05733	1.1
120.08117	0.9
121.06491	6.8
122.07327	1.2
123.08079	3.2
124.05228	1.7
125.05965	1.6
129.10143	0.7
130.68365	0.6
131.04909	1.6
132.05710	1.3
133.06494	20.1
134.07304	0.7
135.04422	1.9
135.08072	4.0
136.06184	1.5
137.05981	7.0
137.09605	1.7
146.03590	1.1
147.04417	2.2
148.05240	1.1
149.05995	10.3
150.06755	11.7
151.07526	4.0
153.09138	3.6
158.99673	2.0
161.06012	2.9
163.03934	1.7
163.07506	1.4
165.09114	13.2
166.06293	0.6
167.07057	9.2
177.00677	1.4
177.05466	5.1
178.06245	1.8
179.04907	0.6
179.07045	2.7
181.08594	3.7
191.07002	1.0
192.06500	1.0
193.08614	60.6
195.06538	1.1
200.04558	0.6
207.08911	1.6
207.13968	0.8
208.01849	0.8
209.06050	1.1
209.08096	34.2
211.09660	100.0
219.01689	0.9
223.04247	6.4
290.12515	0.7
303.11008	3.5
305.10611	0.8
316.14453	1.5
323.11569	1.8
327.26559	0.7
335.04538	0.8
403.17657	0.9
406.17389	7.0
406.67584	1.4
421.15720	0.9
425.14453	0.8
599.33105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01862	6.5
55.05514	49.3
57.03441	20.6
57.07045	2.0
59.04993	5.8
61.02917	6.2
65.03955	1.8
67.05508	100.0
69.03430	5.2
69.07072	12.5
71.01343	2.6
71.04982	4.7
71.56708	3.5
73.02922	4.7
75.04483	2.0
79.05493	26.1
81.03429	13.5
81.07063	30.7
83.04995	10.6
83.08620	20.1
84.04507	4.8
85.02908	23.0
85.06523	5.8
87.04475	12.1
91.03958	2.3
91.05489	12.2
93.07037	16.2
95.04966	6.0
95.08611	14.6
97.02884	5.6
97.06535	4.7
97.10172	36.4
99.04454	2.1
99.08102	1.8
103.03950	9.8
105.07027	5.7
107.04956	5.8
107.08608	17.8
109.06558	3.1
109.10162	82.2
111.04444	4.2
111.08081	6.8
117.07023	5.4
119.08588	11.5
121.06525	2.1
121.10139	4.9
123.08095	3.3
125.06027	1.7
125.09631	42.5
127.03973	1.8
131.08577	1.6
135.08087	2.1
135.11697	8.7
137.09633	5.3
143.10686	9.7
145.10149	8.5
147.11743	1.8
149.09570	2.4
153.12753	10.5
155.10658	11.6
163.11174	13.0
163.59521	1.5
169.12228	1.5
173.09610	2.6
173.10126	2.4
173.11743	40.0
181.12270	7.0
189.11293	1.7
191.10712	6.2
199.13324	8.1
209.11749	12.5
217.14360	6.8
227.12781	18.0
229.14365	77.4
245.13840	4.2
256.15390	13.3
257.13513	14.8
257.16345	8.4
261.55838	1.7
283.15405	17.8
301.16470	46.8
319.17511	15.3
322.25589	1.7
401.25458	2.9
531.53711	1.5
598.33734	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	598.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01877	3.7
55.05518	16.5
57.03434	6.3
57.07085	11.4
67.05512	73.7
68.94093	1.5
69.03436	3.3
69.07076	28.3
70.06597	11.5
70.61345	3.3
70.61658	2.3
71.04992	2.4
71.08627	5.9
71.82494	1.5
75.04474	2.1
79.05503	21.0
80.38051	1.9
81.03433	2.0
81.06580	4.2
81.07063	88.8
83.04987	3.7
83.08624	17.9
85.02911	2.9
85.06545	3.7
85.10223	1.8
91.05495	19.4
93.07049	27.4
95.04984	3.6
95.08616	75.4
97.06541	9.3
97.10189	13.7
99.04475	3.7
99.08128	2.8
105.07041	18.4
107.08610	19.0
109.02904	5.0
109.10162	38.6
110.03664	2.1
111.08098	4.4
111.11748	5.6
113.09629	2.3
116.07115	22.9
119.08599	14.1
121.10159	23.2
123.11713	18.4
125.09618	3.0
127.03926	4.5
127.87232	1.7
131.08589	3.7
133.10129	15.4
135.11708	14.2
137.09671	3.3
137.13264	8.4
141.12759	3.5
145.10147	3.6
147.11696	14.2
149.13242	10.2
151.11159	2.5
151.14822	8.3
155.14301	4.2
161.13243	15.2
163.14836	11.2
165.12784	2.2
165.16422	10.2
167.10649	2.8
167.14326	2.1
175.14815	11.1
177.16415	3.4
179.14322	1.9
179.17955	6.3
179.19351	2.0
189.16411	5.2
196.33687	1.6
199.81172	2.0
199.83156	1.8
217.19652	2.7
245.22676	64.5
263.23718	100.0
270.35028	1.8
281.24777	3.2
311.25781	3.8
337.27408	65.6
355.28381	7.3
563.28986	15.1
598.40283	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	598.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01875	1.5
55.05536	1.2
57.19143	1.1
61.02922	1.9
65.12869	1.4
67.05487	1.6
68.59265	1.3
69.03422	2.6
70.06590	4.1
71.57051	1.9
72.57539	1.4
79.05485	4.3
81.03420	14.6
85.02901	12.1
91.05470	3.2
92.86816	1.4
95.04984	3.5
97.02899	3.5
97.06537	1.3
99.71072	1.3
103.05476	3.2
105.07036	1.8
107.04952	10.9
109.02869	1.6
115.05433	6.0
117.07019	18.8
123.04416	7.8
127.03918	2.6
128.06273	1.5
129.07024	3.8
131.04939	2.0
131.08565	4.2
133.06581	1.4
139.38724	1.3
141.07040	2.3
144.05682	2.4
145.05162	2.0
145.06493	36.7
147.04417	4.5
152.04666	2.2
155.04874	1.8
155.06039	6.2
156.05661	6.5
157.06474	1.8
159.08009	6.8
160.05215	1.4
161.05968	4.2
167.07048	54.0
173.05995	63.4
175.07506	1.7
180.08664	6.8
183.06482	1.5
187.07666	6.3
190.04634	2.7
190.06261	36.8
191.07005	2.3
193.08624	3.3
202.06195	4.0
203.07086	6.5
205.08618	100.0
207.06653	2.2
217.08624	44.0
219.10211	4.4
223.09554	2.5
229.01347	1.8
232.63721	1.5
235.07439	1.5
235.09666	35.9
247.09615	8.1
263.10791	1.5
265.10745	42.4
271.09549	1.6
279.10434	2.3
283.06049	4.8
284.06366	6.0
291.10211	1.6
293.08118	1.6
309.07538	1.6
310.07928	2.1
313.06973	5.1
314.07339	4.9
315.08609	5.5
323.12933	1.9
330.10880	8.0
331.11761	4.8
338.07367	2.1
345.04510	4.6
351.11938	2.0
363.05319	1.4
371.14896	2.9
383.14984	12.4
398.09442	2.1
401.15994	15.7
415.10486	3.1
416.10519	3.6
502.11765	2.3
524.93732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3034
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.34145	0.5
51.43522	0.5
53.03939	1.6
54.35892	0.5
55.05272	0.6
55.05516	10.6
57.03442	7.1
57.07059	1.5
62.10165	0.6
65.03951	1.1
67.05510	26.0
69.03415	0.6
69.07072	14.2
70.17350	1.1
70.17696	1.5
71.05000	1.1
75.06682	0.5
79.05496	6.7
81.03429	2.6
81.07059	26.1
83.04989	0.8
83.08632	7.0
85.06540	0.8
91.05486	4.6
93.07050	6.6
95.04955	1.0
95.08611	18.7
97.06527	2.0
97.10151	3.4
98.98473	9.0
99.04446	0.7
99.08087	0.9
105.07040	2.8
106.73010	0.6
107.08595	4.5
109.02870	2.4
109.06566	0.8
109.10165	6.4
111.08034	0.5
114.98251	0.5
119.08579	3.5
121.10165	3.2
122.05384	0.5
123.08024	0.7
123.11729	2.8
133.10164	3.2
135.11678	1.4
137.09535	0.5
137.13309	0.8
147.11702	1.7
149.13228	0.8
155.01083	3.7
161.13254	1.2
163.06033	0.7
175.14835	0.7
189.12805	0.5
245.22687	1.1
261.03683	2.9
263.23727	2.2
301.20120	2.1
317.06268	0.9
335.07343	1.1
337.27383	100.0
338.27612	0.7
342.64383	0.6
408.52832	0.6
537.28314	0.7
597.39301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01870	1.2
55.05517	12.4
57.03439	4.1
57.07068	2.7
65.03935	1.2
67.05508	34.4
69.03452	1.1
69.06724	1.0
69.07073	14.5
71.04995	0.8
71.08624	0.9
71.57813	0.8
75.37473	0.7
79.05496	11.2
81.03428	5.3
81.07060	35.2
83.04988	1.0
83.08620	7.2
85.02921	1.3
85.06542	1.2
86.80951	0.7
91.04955	0.9
91.05483	7.8
93.07045	12.4
95.04987	1.8
95.07971	0.9
95.08611	29.4
97.06521	1.8
97.10185	3.9
98.98468	33.4
99.04439	1.0
99.08099	1.4
105.07037	5.5
107.08595	8.0
109.02877	3.8
109.06496	0.8
109.10158	10.1
110.23228	0.7
111.11675	1.1
119.08608	5.7
121.10156	8.3
123.08092	0.7
123.11700	4.1
125.09633	1.5
131.08589	1.2
133.10144	5.7
135.11691	3.8
137.13243	2.1
142.10109	0.6
143.08577	1.6
145.10095	1.2
147.11673	2.8
149.13264	2.7
151.14780	1.2
155.01054	22.8
157.93092	0.7
161.13248	2.4
163.14861	1.8
167.10703	0.8
173.02148	1.8
173.09633	0.8
175.14885	1.7
183.11734	0.9
201.95633	0.8
225.26880	0.6
243.02777	1.1
245.22643	6.1
246.78476	0.7
261.03751	3.2
263.23715	10.5
317.06329	6.3
319.26392	1.9
335.07330	3.8
337.27386	100.0
338.27597	1.0
351.11533	0.6
407.27832	1.0
425.29013	2.0
561.27856	1.9
579.08087	0.7
597.39459	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	597.1815
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01856	8.1
55.05513	3.0
57.03436	5.7
62.40519	2.6
65.03960	3.4
67.05495	5.8
68.99792	2.9
69.03407	4.4
69.07064	3.0
70.06583	12.5
71.01353	3.5
71.57071	3.2
74.02420	6.6
79.05479	5.2
81.03426	31.0
81.73274	2.9
83.08618	6.3
84.08148	6.5
85.02915	21.3
86.09720	3.6
87.05589	9.2
88.03997	4.6
91.03922	3.1
91.05482	16.0
92.77383	2.8
93.03420	15.1
93.07039	4.8
95.04988	15.5
97.02887	11.8
98.97599	6.3
103.03928	3.7
105.03365	5.1
105.07031	3.5
107.01315	3.1
107.04956	26.3
109.02881	11.6
111.04457	7.1
116.03435	3.6
117.07047	3.3
119.04958	18.8
119.08570	4.4
121.02888	21.1
121.06499	8.7
121.10087	2.9
123.04407	12.0
127.03905	3.7
128.52762	2.5
131.04903	3.7
133.06081	48.9
135.04402	17.3
137.06046	3.3
139.03905	7.1
145.06480	7.2
147.04424	50.4
149.02336	6.6
151.03949	6.1
153.01857	3.6
158.42807	2.7
158.99664	3.7
159.04453	6.5
161.02333	6.0
161.06017	7.2
161.50856	2.9
163.03932	11.2
165.01866	9.9
173.02373	4.5
173.05960	10.6
175.00201	7.2
175.04033	4.3
175.07588	4.5
175.11211	3.0
177.01871	25.2
177.05482	14.4
181.04958	4.9
185.05881	2.9
187.03902	9.7
189.01846	26.6
189.05568	5.4
191.03395	19.1
193.12213	15.3
195.02914	37.0
201.01910	3.5
201.05452	15.7
203.03397	18.8
205.01343	7.6
205.04958	4.2
207.00935	3.3
207.02888	47.0
213.05507	4.3
215.03421	16.4
215.06924	4.4
217.01346	4.4
217.05013	7.9
219.02901	83.9
221.04459	5.6
223.02373	9.4
225.03879	21.1
227.03352	8.3
229.04982	14.7
229.07034	2.7
231.02899	58.0
231.06477	5.3
231.08923	2.8
233.04503	19.4
237.03926	19.6
243.02921	28.6
243.06549	4.5
245.04388	7.4
249.04062	14.5
255.02902	8.7
255.68211	2.9
257.04480	9.4
259.02466	3.7
259.06140	2.9
261.03949	100.0
261.06744	4.8
267.15909	11.7
269.04437	8.5
271.05942	8.9
273.03940	36.0
273.06699	5.2
275.05603	5.2
281.04343	4.3
285.03998	50.7
285.07208	4.3
285.17099	19.8
291.05075	29.1
297.03900	14.4
297.07510	14.7
299.05515	12.6
303.05051	32.9
309.03903	4.4
309.07458	8.6
315.04996	7.0
321.06003	19.2
323.05740	3.3
327.04953	50.3
327.08655	25.9
339.08099	40.0
345.06119	12.1
351.08606	21.7
357.05969	11.7
357.09851	6.1
363.07108	34.0
369.05948	5.0
375.07263	5.9
381.09772	35.4
387.07129	12.0
393.09555	31.5
405.08514	41.5
409.09149	5.2
411.10645	9.9
417.09787	7.6
423.10257	30.2
429.11893	37.9
441.10916	37.7
447.10779	27.1
459.12817	31.1
465.11923	9.0
477.11978	10.6
483.12848	20.0
489.11829	4.7
495.12799	21.1
507.12796	9.9
525.14026	14.9
532.47968	3.7
543.14911	21.6
597.35962	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	596.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01868	2.1
55.05509	2.3
56.05025	1.3
57.03434	3.0
60.04526	11.0
61.02915	2.4
65.03932	0.8
67.05506	3.9
68.05033	1.4
68.99779	0.8
69.03436	15.9
69.07059	2.2
69.29860	3.3
69.30273	1.3
70.06589	2.7
71.04998	3.1
72.04499	1.8
73.02926	3.7
76.01509	0.6
78.31904	0.5
79.05496	1.9
80.05021	6.7
81.03422	14.2
81.07068	5.8
82.06589	1.9
82.90543	0.5
83.01314	0.5
83.08627	1.5
84.04524	0.8
84.08147	1.5
85.02911	20.1
86.09737	0.6
87.00842	5.0
87.04469	1.3
90.05555	0.9
91.05471	1.7
93.07064	2.6
94.06581	8.4
95.04986	0.7
95.08618	4.0
97.02901	9.4
98.06083	1.3
98.21558	1.2
99.04462	5.5
101.02451	0.5
102.05600	0.5
103.03944	1.5
105.01868	2.0
105.07055	0.9
107.08599	1.6
108.08135	0.8
109.02888	10.4
109.03595	0.8
109.10170	1.6
110.06003	0.7
110.09656	0.5
112.07620	0.6
114.05506	1.0
116.07091	1.2
117.01846	0.8
119.08556	0.8
120.08128	1.0
121.02846	0.7
121.10168	1.2
123.11627	0.7
127.03917	14.9
127.04808	1.0
129.01840	1.0
132.06593	1.9
133.10103	0.6
134.09735	1.1
143.03430	0.6
145.04932	2.7
147.02951	0.8
159.02930	2.8
187.06075	1.2
226.21675	0.6
231.05077	0.6
238.21745	2.4
246.22217	0.8
252.90585	0.5
256.22736	2.4
258.22330	0.7
264.23285	1.5
268.07007	0.7
272.06384	0.6
276.23257	4.2
281.08112	0.6
283.06015	4.0
284.06384	7.2
285.07178	0.8
294.24280	3.9
295.06070	0.8
296.06345	1.5
309.07721	0.9
310.07800	0.9
312.25369	5.6
313.07056	6.3
314.07407	9.4
324.09372	0.7
330.26392	49.4
337.06717	0.8
338.07410	1.9
348.27441	29.9
350.07397	1.1
354.26508	0.9
362.07440	0.9
367.08124	0.7
368.08597	2.6
372.27338	1.1
380.08624	1.0
390.28400	0.6
398.09552	1.8
415.10397	0.9
416.10486	3.5
416.27975	0.7
434.11743	0.8
492.31979	0.7
510.32727	1.6
534.32855	3.4
552.33844	19.2
578.16144	0.6
578.31671	4.4
596.32764	100.0
597.32495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01874	9.2
55.05514	46.8
57.03446	17.7
59.05013	8.0
61.02908	4.7
63.40281	1.4
67.05510	100.0
69.03417	4.0
69.07075	13.9
71.01358	2.0
71.04979	4.6
71.07690	4.2
73.02892	4.8
75.04488	3.0
79.05499	26.7
81.03428	13.4
81.07065	28.7
83.04996	11.4
83.08618	19.0
83.91059	1.6
85.02914	21.1
85.06528	3.8
87.04485	8.6
91.03928	2.1
91.05481	12.1
93.07052	14.2
95.04950	4.6
95.08606	12.4
97.02889	5.8
97.06519	4.6
97.10182	29.1
99.04420	2.8
103.03947	13.5
105.07018	4.7
107.04948	5.1
107.08601	16.9
109.06502	2.2
109.10165	74.6
111.04436	6.2
111.08076	4.1
117.06978	2.3
119.08596	9.5
119.90820	2.0
121.10155	7.7
123.07972	1.6
125.09628	41.3
129.06932	1.8
133.10112	2.4
135.08051	3.0
135.11667	5.7
137.09608	5.8
143.10701	7.5
145.10089	6.2
146.20998	1.6
147.08107	2.8
153.12769	13.6
155.10652	11.9
163.11221	14.2
173.09598	2.6
173.10098	2.1
173.11749	32.6
175.11127	2.1
181.12238	9.1
185.60228	1.8
189.11159	3.0
191.10634	4.4
193.12279	3.1
199.13301	11.6
209.11737	12.0
217.14317	5.1
227.12804	14.8
229.14368	61.9
245.13826	2.5
257.13907	21.0
271.80188	1.8
283.15454	18.7
301.16492	42.3
319.17599	13.2
399.23770	5.7
498.75140	1.6
518.10834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01874	8.9
55.05268	3.2
55.05513	40.2
57.03433	16.9
57.07066	3.1
59.04993	5.8
61.02915	5.0
65.03920	3.1
67.05508	100.0
69.03432	9.7
69.07073	18.1
69.56542	12.5
71.01338	3.8
71.04970	7.7
73.02901	5.9
79.05495	33.4
81.03417	28.6
81.07059	46.3
83.04971	12.1
83.08622	22.5
85.02428	2.7
85.02910	34.1
85.06575	2.8
87.04470	10.8
91.03949	2.0
91.05479	23.5
93.06549	2.3
93.07056	24.0
95.04957	12.6
95.08150	1.7
95.08611	19.5
97.02300	1.8
97.02899	28.4
97.06541	10.8
97.10170	27.3
98.21452	3.5
99.04453	3.6
99.08056	2.7
103.03960	8.9
105.07029	10.3
107.04956	5.6
107.08611	19.6
109.02864	7.8
109.06524	4.1
109.10159	81.2
111.04476	4.8
111.08056	7.0
117.07040	5.5
118.97183	1.7
119.08589	15.6
121.06527	2.1
121.10134	8.5
123.08034	4.9
125.09641	38.5
127.03911	10.5
129.06970	5.0
131.08563	7.6
133.06425	1.8
133.10127	6.8
135.08043	2.7
135.11697	10.3
137.09590	5.2
139.11137	2.7
143.10651	6.3
145.04965	4.0
145.10136	10.7
147.08032	3.3
147.11647	5.8
149.09607	6.4
153.12749	7.8
155.10654	12.9
157.10112	4.9
159.11647	2.1
161.02348	2.7
163.03903	6.1
163.11201	15.3
173.09587	3.7
173.10095	3.0
173.11754	42.1
175.11159	4.2
181.12262	7.4
181.27165	1.8
187.03889	5.2
191.10643	7.2
193.12279	13.1
199.13242	8.4
203.12601	2.5
204.97827	1.8
209.11731	17.8
211.13263	5.7
213.05486	4.0
217.14322	2.9
225.14812	2.5
227.12778	19.2
229.14369	48.1
242.09164	2.0
243.21072	2.3
257.13849	37.3
261.22058	2.5
277.14676	1.9
283.15475	10.9
299.14954	3.9
301.16458	30.2
313.20221	2.0
319.17450	4.1
336.26117	5.2
337.14349	11.2
355.15347	9.6
369.16852	6.5
387.17767	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	596.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92388	1.3
53.03941	4.0
55.01876	3.8
55.05513	15.5
57.03439	5.0
57.07072	4.4
64.86507	1.1
65.03951	1.4
67.05508	75.3
69.03436	2.6
69.07073	13.2
69.26917	2.7
69.27323	9.8
71.05003	2.8
71.08618	1.5
73.02920	1.9
75.04506	1.6
79.05496	45.7
81.03419	3.3
81.07060	84.7
83.04976	2.2
83.08622	8.3
85.02893	3.0
85.06547	2.4
91.04964	2.1
91.05489	24.3
93.07050	61.6
95.04990	2.9
95.08611	65.1
97.02901	1.3
97.06539	4.6
97.10182	3.8
99.04463	2.6
99.08080	1.6
105.07037	21.8
107.07869	2.3
107.08604	42.2
109.02875	5.4
109.10159	35.1
110.03683	3.6
111.04450	2.3
111.08096	2.7
111.11761	1.3
113.09622	1.5
117.07038	10.1
119.08575	17.3
121.10149	43.1
123.08097	2.0
123.11707	14.4
125.09658	2.2
127.03939	3.3
131.08571	21.6
133.10144	15.5
134.97237	1.3
135.11694	30.6
137.09645	2.2
137.13249	9.0
145.10141	18.4
147.11703	12.2
149.13258	21.0
149.14383	1.9
149.25809	1.1
151.11212	3.0
151.14850	2.5
153.12756	1.5
159.11696	15.7
161.13260	12.3
163.14838	17.1
165.12807	3.1
173.13269	17.2
175.14864	4.9
177.12865	2.3
177.16417	5.6
179.14287	2.5
187.14856	8.5
191.00131	3.0
191.14410	1.3
201.16371	2.4
205.16023	1.9
215.18047	1.9
216.09732	1.2
233.22714	2.9
243.21091	33.9
261.22153	100.0
279.23285	4.3
294.57645	1.4
317.24588	1.8
335.25818	30.4
353.26871	40.6
377.26746	1.3
392.57062	1.3
451.21320	1.5
510.41269	1.2
561.27429	12.0
563.73547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.05512	19.7
57.07084	14.1
61.02924	4.9
67.05508	32.1
69.03443	14.7
69.07075	67.1
69.28584	3.0
70.06589	6.9
71.04980	5.2
71.08637	9.7
71.28743	5.9
71.33965	3.0
76.49912	2.8
79.05494	19.9
81.03420	9.9
81.07061	96.2
83.04980	3.5
83.08617	46.5
85.02898	24.8
85.06542	9.9
85.10182	5.0
87.00838	9.6
91.05488	10.0
93.07050	28.3
93.97807	2.9
95.04951	6.5
95.08611	100.0
97.02881	11.4
97.06538	11.8
97.10169	27.9
98.97575	3.8
99.08105	6.8
105.01865	20.9
105.07010	6.8
107.08598	30.6
109.02904	7.9
109.06485	3.6
109.09457	5.8
109.10164	69.2
111.08069	8.6
111.11741	25.3
113.09653	4.5
121.10155	14.4
123.11710	48.5
125.09618	5.0
125.13293	15.8
127.03932	15.4
133.10074	3.5
134.76172	2.9
135.11673	14.0
137.13249	25.6
141.12799	3.5
145.05003	6.4
147.04443	10.1
149.13258	45.2
151.14830	12.7
153.12788	3.4
153.80675	2.8
163.14812	13.3
165.16412	9.5
167.14366	16.3
179.17976	6.5
191.17998	3.7
193.19481	6.4
205.19617	3.1
219.21124	4.6
231.05003	5.3
247.24272	3.2
249.06094	5.3
249.25856	4.7
259.09732	4.5
275.27396	25.4
293.28400	70.8
311.29364	14.1
346.55167	3.4
357.11008	3.2
403.11734	8.9
505.31268	3.6
551.24347	3.2
595.20691	3.9
595.37244	6.8
596.24609	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	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01860	0.6
55.05270	0.8
55.05511	6.9
57.03201	0.5
57.03437	5.8
58.91295	0.5
65.03936	1.0
67.05504	29.1
69.03426	1.2
69.07072	6.1
70.04549	2.3
71.04988	1.2
79.05493	16.9
81.03428	3.3
81.07059	24.8
83.04979	0.6
83.08624	2.4
85.02874	0.5
85.06540	0.7
91.05476	8.3
93.07042	16.1
95.04983	1.0
95.08610	20.2
97.06527	1.0
97.10190	0.8
98.20864	0.8
98.98470	8.9
105.07035	4.7
107.08589	7.6
109.02877	2.8
109.06511	0.5
109.10146	6.8
111.11682	0.5
117.07012	1.4
119.08593	3.7
121.10139	5.9
123.08104	0.6
123.11677	1.2
127.03918	0.7
131.08565	2.9
133.10127	2.0
134.00894	0.5
135.11713	3.2
145.10106	1.8
147.11671	2.0
149.13264	2.0
155.01019	1.4
157.13026	0.5
159.11655	1.8
161.13263	0.7
163.05975	0.9
173.02155	0.9
173.13280	1.0
187.14864	0.9
243.21107	1.2
261.03638	3.1
261.22119	2.5
317.24704	1.1
335.07373	1.3
335.25797	100.0
467.18854	0.6
484.30249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05518	7.1
57.03442	8.1
65.03952	1.0
67.05508	28.6
69.07073	6.5
71.04997	1.4
71.27228	1.2
79.05500	17.3
81.03413	2.9
81.07062	25.1
83.04977	0.8
83.08616	2.4
83.27692	0.6
91.05484	9.5
93.07048	14.2
95.04964	1.1
95.08611	20.8
97.10186	1.3
98.98476	11.0
105.07022	5.4
107.08597	8.8
109.02882	2.6
109.06526	0.8
109.10158	7.6
117.06989	1.4
119.08579	5.0
121.10153	6.6
123.11712	2.9
131.08591	2.4
133.10144	3.8
135.11670	3.6
145.10120	1.9
147.11729	1.6
147.42300	0.6
149.13321	3.0
155.01070	2.4
159.11644	1.7
161.13243	1.2
163.14874	0.8
173.13239	0.8
183.76630	0.6
187.14821	1.2
243.21072	0.8
261.03619	4.0
261.22083	2.7
301.81741	0.6
335.07339	1.2
335.25815	100.0
385.09720	0.7
422.02881	0.7
462.67136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Apigenin 7,4'-diglucoside
Peak:m/z	Relative Intensity
52.59867	0.5
53.03912	0.5
55.05500	0.6
56.17661	0.5
57.03457	0.9
60.04522	1.0
61.02925	1.1
66.54690	0.5
67.05489	0.7
68.99785	0.7
69.03429	3.6
70.06575	2.2
71.04976	0.6
71.57209	1.0
79.05506	0.6
81.03413	2.6
81.07078	1.2
84.08158	1.6
85.02905	4.9
86.09711	1.2
87.00832	0.7
91.05444	1.0
93.07058	0.9
94.06578	1.4
95.08627	1.1
97.02886	2.4
105.01892	0.7
105.07023	0.7
107.08629	0.8
109.02888	2.1
110.97702	0.5
119.04926	1.9
120.08060	1.1
120.50100	0.6
121.02864	9.7
127.03914	1.8
129.10168	0.7
135.04399	0.5
137.06026	0.5
145.02863	0.6
147.04454	1.1
153.01852	0.8
163.03879	1.0
165.01848	1.3
171.02838	0.9
177.01859	1.1
183.02951	1.1
195.02895	0.8
205.05046	0.8
206.95831	0.6
213.05498	2.6
217.05023	2.7
227.06967	0.7
228.07758	0.7
236.20120	1.3
241.04903	1.1
242.05846	0.6
243.02898	1.9
243.06621	1.7
254.21230	1.7
255.06561	2.1
255.21477	0.7
256.07349	2.7
259.06088	2.6
261.03983	1.9
271.06009	4.6
279.06552	0.6
281.08026	0.7
283.06006	44.9
284.06799	20.7
285.07526	1.4
287.05496	8.9
292.22647	0.6
294.05200	1.2
295.06033	11.9
297.07581	10.3
298.04453	0.8
299.05472	1.5
307.06082	1.7
307.35324	0.7
308.06696	2.4
309.07663	3.9
311.05475	2.0
313.07047	65.7
314.91830	0.6
321.07590	0.9
323.05563	1.7
323.09128	11.3
325.07065	5.7
327.08664	0.7
328.24823	4.7
329.25311	2.4
335.09177	0.9
337.07056	15.9
339.08795	0.6
343.08209	4.3
346.25812	4.0
347.26117	3.7
349.07263	1.6
351.08707	5.7
355.08112	2.1
361.07236	0.9
367.08029	6.9
379.08151	7.6
385.09381	0.6
397.09174	13.7
401.39166	0.6
409.09415	1.2
415.04776	1.2
415.10242	17.8
421.08820	0.8
427.09961	1.7
433.11322	100.0
457.11124	2.6
481.11572	1.2
499.11813	0.9
511.12494	1.0
542.01892	0.6
551.32751	1.7
559.14709	0.6
576.30048	1.2
577.30396	1.8
594.31439	4.4
595.13403	2.3
595.31970	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	595.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51788	2.2
55.01860	2.4
56.05027	2.1
57.03436	5.5
61.02936	2.8
69.03423	4.3
70.06594	9.5
72.08126	4.1
73.02922	3.0
81.03419	7.1
81.07034	3.4
84.04498	4.6
84.08157	10.4
85.02892	12.3
86.09670	2.5
86.72497	2.1
91.05476	2.7
93.03416	3.1
93.42470	2.0
94.01569	2.1
97.02901	4.2
98.97593	4.5
107.04979	4.1
109.02896	2.3
110.07181	3.6
119.04962	8.7
120.08078	3.2
121.02882	29.6
129.10295	2.4
131.04982	3.7
135.04425	2.5
145.02859	7.0
147.04439	3.7
148.06046	3.7
152.71947	2.2
177.01865	3.5
177.05516	4.2
189.01823	5.7
191.03407	6.6
195.02939	5.6
201.05508	2.4
203.03348	10.0
205.04921	2.7
207.02959	9.4
211.03940	2.5
217.04901	4.1
219.02992	3.6
226.04123	2.1
229.04988	3.6
255.03030	3.1
268.07278	4.2
271.06033	27.1
279.06638	3.0
281.08044	6.3
283.05945	8.9
287.05627	12.8
291.06439	2.3
293.08224	3.6
294.05182	19.5
295.06024	71.2
295.09351	4.6
296.06787	7.5
297.07639	6.4
307.06036	50.0
308.06766	14.6
309.07574	15.0
313.07132	9.0
317.07971	2.7
318.09015	2.3
319.06061	5.4
320.06888	5.3
321.07629	23.7
322.08334	11.3
323.05600	3.9
323.09296	7.3
325.07083	93.6
333.07541	9.4
334.08267	2.6
335.05524	3.3
335.09048	14.2
337.07080	61.6
337.11151	3.8
339.08679	2.5
345.07303	3.3
347.09174	13.5
349.07040	33.1
351.08679	21.0
355.08154	18.1
359.09302	2.7
361.07056	17.2
361.10861	3.6
363.08609	6.8
365.10184	7.8
367.08170	4.2
373.07098	5.0
375.08548	9.1
379.08115	45.8
387.08163	3.1
391.08136	25.3
401.10486	2.8
403.08203	21.7
403.12976	3.8
409.09204	46.5
421.09091	22.0
427.10434	36.0
433.10962	6.8
439.10229	25.2
445.11017	7.0
451.11017	2.7
457.11331	100.0
462.84412	2.3
463.10013	6.4
475.12372	23.7
481.11301	29.4
487.10498	2.8
493.11240	3.5
499.05817	3.4
499.12332	24.2
505.11191	5.7
511.12521	24.9
523.12415	23.1
529.13385	16.0
541.13391	25.4
559.14563	27.6
577.15625	14.4
577.33502	4.6
595.19647	10.9
595.34344	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	595.1658
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
57.03437	2.4
61.02926	2.1
66.17220	1.6
67.05483	1.7
69.87324	1.5
69.88051	5.9
81.03419	1.9
81.10995	1.6
85.02906	4.8
88.23759	1.7
98.20895	2.4
103.03941	3.3
109.02888	2.1
119.04940	5.7
121.02863	28.6
145.02827	3.1
147.04404	1.9
163.03941	3.0
165.01617	2.0
173.02411	2.0
176.00974	2.3
177.01814	4.8
177.05482	2.0
179.03415	2.8
183.04581	1.7
187.03932	2.2
189.01865	9.4
191.03436	4.0
195.02939	3.0
201.05486	2.4
203.03366	8.4
205.04797	1.9
207.02866	9.3
215.03410	2.7
217.05011	4.2
219.02876	5.1
227.03354	1.8
229.04951	2.4
239.03552	2.5
243.02635	2.1
254.05679	1.8
255.02823	2.4
257.04422	3.3
267.06503	3.0
268.07285	3.8
279.06549	4.5
280.07220	2.1
281.08127	5.1
283.05963	5.4
291.06595	2.5
293.08032	3.8
294.05304	18.9
295.06027	79.2
296.06714	5.3
297.07614	9.0
307.06015	44.6
307.09534	2.8
308.06769	17.2
309.07553	13.1
313.07147	4.0
318.09201	2.0
319.06058	7.1
320.06714	2.0
321.07602	30.1
322.08426	9.1
323.05612	3.4
323.09283	3.8
325.07080	90.5
331.09897	2.2
333.07587	7.5
335.05606	2.2
335.09195	13.6
336.06369	2.5
337.07065	60.2
339.08609	3.4
345.07529	3.5
347.09174	9.3
349.07068	29.6
349.10898	2.9
351.08670	24.0
355.08173	24.0
360.06210	1.9
361.06970	15.4
361.10660	2.5
363.08575	6.9
365.10248	12.1
367.08136	4.6
373.07101	6.3
375.08505	9.6
377.06305	3.3
379.08167	48.7
385.07129	3.9
387.08710	4.6
389.10263	4.3
391.08206	24.4
403.08112	25.3
409.09180	40.8
415.08450	3.3
417.09662	2.6
421.09177	21.6
427.10339	35.1
433.09265	4.7
439.10309	24.1
445.10403	6.2
457.11340	100.0
463.09979	5.8
475.12402	26.5
481.11334	27.5
487.09885	2.9
493.11069	3.7
499.12375	22.5
505.11084	5.0
511.12445	26.5
523.12451	25.9
529.13397	12.2
541.13409	27.0
559.14502	28.0
577.15436	16.3
595.16394	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01879	2.8
55.05518	22.0
57.03431	10.0
57.07070	2.6
59.04992	3.3
60.05642	13.9
63.26468	2.2
67.05505	48.3
69.07069	8.5
71.57667	3.5
79.05492	29.7
81.03436	3.2
81.07061	52.1
83.08621	12.9
91.05479	29.8
93.07049	43.2
95.04962	4.7
95.08600	29.8
97.02853	4.1
97.06532	4.9
97.10139	3.5
99.00807	15.2
103.96210	2.4
105.07023	22.2
107.04943	6.2
107.08597	16.9
109.02885	8.2
109.10163	15.0
111.08009	2.9
111.12581	2.5
115.03920	3.2
117.07032	6.3
119.08587	15.8
121.06528	8.6
121.10125	15.2
121.93880	2.4
123.11726	3.9
123.84422	2.4
129.07056	2.8
131.08571	8.8
133.10112	37.4
135.11707	10.6
139.07584	2.9
143.08588	6.6
145.10040	5.5
147.11699	3.4
149.13255	6.7
151.11183	8.0
156.67044	2.6
159.11694	5.3
161.09657	14.8
161.13252	4.1
171.08160	5.2
173.13281	3.5
179.10689	8.3
189.09113	6.6
197.11494	3.0
212.45479	2.5
225.11267	16.1
243.12355	3.3
243.21057	5.4
261.22202	11.6
299.14883	80.2
317.24579	4.6
335.25787	100.0
555.35437	2.6
559.36328	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10257	0.2
55.05503	0.5
57.07084	0.3
67.05499	0.4
69.07069	0.4
69.83432	0.4
69.83837	0.8
79.05502	0.4
81.07066	0.8
83.08612	0.2
88.07659	0.3
91.05469	0.5
93.07025	0.2
95.08616	0.4
98.98467	3.6
99.27121	0.2
100.07619	0.3
107.08582	0.4
117.05827	0.3
117.07007	0.6
118.06554	0.9
119.07339	0.9
119.08583	0.3
121.44227	0.2
125.00012	13.0
128.06206	0.3
130.06508	0.4
132.08096	0.5
134.09665	13.4
144.08096	6.0
144.09232	0.3
145.08873	3.9
146.08130	0.4
160.11229	85.8
161.11539	0.2
178.12292	5.4
182.33302	0.2
256.26349	0.4
258.08920	100.0
259.09204	0.5
265.27536	0.2
337.27576	0.2
576.34265	1.4
576.45892	0.5
580.88141	0.2
594.27063	0.3
594.35315	3.2
594.47040	0.6
595.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60197	1.8
53.03932	7.5
55.01864	3.1
55.05516	9.9
56.05020	7.4
56.96564	2.8
57.03423	7.3
57.03667	2.0
60.04526	21.1
61.02916	7.4
61.10651	1.9
65.03941	3.2
67.05505	26.7
68.99787	2.8
69.03429	27.5
69.07077	14.0
70.06590	9.6
71.04988	6.2
71.57431	3.5
72.04522	31.1
72.08166	3.1
73.02901	6.7
79.05495	17.1
80.05003	3.5
81.03428	26.0
81.07059	34.7
83.04993	3.0
83.08612	6.1
84.04046	3.8
84.04507	54.2
84.08123	5.1
85.02905	57.2
86.06069	6.3
86.09692	5.6
87.00833	21.4
91.03972	2.4
91.05478	8.9
93.07040	18.4
94.06551	3.1
95.04946	6.7
95.08620	29.1
96.04480	4.7
96.08144	2.3
97.02892	20.0
97.06534	19.0
97.10162	2.1
98.06090	2.6
99.04447	7.4
102.05534	6.6
105.01871	9.7
105.07037	9.3
107.04940	3.9
107.08591	10.8
108.04472	2.5
109.02892	26.3
109.06544	2.5
109.10166	24.2
110.06011	6.9
110.07102	2.0
111.04444	4.5
114.05520	3.4
117.06993	3.8
119.08573	9.8
120.08106	3.9
121.06461	2.8
121.10162	25.3
122.06021	3.1
123.04462	2.5
123.07972	2.4
123.11685	8.4
126.05490	10.5
127.03924	34.3
129.01799	5.2
131.08572	5.1
133.10132	9.0
135.11723	14.3
135.70514	2.1
136.07555	5.0
142.87399	2.3
145.04958	9.7
145.10106	4.2
147.04347	4.5
147.11713	4.1
159.02852	9.8
159.11717	3.5
161.13231	3.8
163.03847	2.6
173.02335	2.8
189.03824	2.8
191.17966	15.9
203.18007	5.1
208.20624	2.4
209.19026	5.7
213.03894	3.1
227.20149	2.1
231.04933	7.8
259.09900	3.9
269.17496	2.8
274.21664	14.4
275.20013	5.8
283.53888	1.9
292.22708	32.3
293.21100	3.0
295.06003	2.2
296.06485	2.3
310.23770	49.7
311.22131	4.9
312.12396	2.0
328.24820	100.0
330.26346	3.4
332.09854	2.1
346.25861	9.1
352.24619	3.9
370.25793	7.4
379.21457	2.9
392.11984	2.6
411.10092	4.7
419.10855	2.4
420.11725	14.3
522.26733	8.7
532.30402	2.2
540.27966	11.0
550.20984	2.2
558.28961	14.2
576.30164	85.2
594.16772	4.8
594.31458	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	594.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38002	0.5
53.03911	2.0
55.01877	3.4
55.02096	0.9
55.05514	7.9
56.04995	1.7
57.03399	1.8
57.07032	1.7
58.02945	0.5
60.04528	9.1
61.02889	0.8
65.03914	0.9
67.05506	25.2
67.05847	0.8
68.05000	1.2
69.03429	3.6
69.07070	10.2
70.02910	1.1
70.06544	1.8
71.04996	3.2
71.08585	0.6
71.56969	1.0
72.04471	2.2
72.23194	0.6
73.02885	0.7
74.06029	2.0
74.47517	0.5
79.05492	14.8
80.05022	10.9
81.03421	6.6
81.07059	28.7
83.04988	3.3
83.08614	6.5
84.04524	2.8
84.08106	1.0
85.02911	7.6
85.06493	1.7
86.06075	2.8
87.00836	3.3
88.03987	7.8
91.05485	16.1
93.07047	18.9
94.06560	1.0
95.04969	4.8
95.08609	30.8
96.04479	0.8
96.08176	0.6
97.02837	2.1
97.06536	4.4
97.10194	4.0
98.02417	1.0
98.06012	1.7
98.09644	2.4
98.97545	0.6
99.04459	1.2
99.08053	1.7
100.03942	2.3
100.07590	1.2
102.05542	5.4
103.05419	1.0
105.01804	1.2
105.06411	0.7
105.07034	11.7
105.23764	0.6
106.06548	0.7
107.04921	2.0
107.08600	11.3
108.04481	7.6
109.02866	2.8
109.06474	2.4
109.10158	19.1
111.08082	3.0
111.11679	0.7
112.07556	1.2
114.05533	0.7
116.10715	0.8
117.01736	0.6
117.07018	4.8
118.04961	0.8
119.07810	0.7
119.08581	11.3
120.08046	1.7
121.06478	2.1
121.10145	16.6
122.09621	0.5
123.07999	2.2
123.11707	5.7
125.09607	0.7
126.05491	1.4
126.09066	0.7
127.03915	3.1
128.07045	1.0
130.04964	1.9
131.08578	11.1
133.09268	0.6
133.10147	9.1
135.08008	1.5
135.10719	0.7
135.11700	11.7
137.09593	1.4
137.13213	1.5
139.11121	0.6
145.04918	0.9
145.10123	8.2
147.11690	5.0
148.07506	2.3
149.09593	1.1
149.13263	3.8
151.11130	0.8
151.14832	0.8
159.02974	0.9
159.11690	4.5
161.13225	2.0
162.09111	0.8
163.03879	0.6
163.11038	1.0
163.14827	1.4
173.13242	2.7
175.14882	0.8
177.16411	1.2
187.14801	1.3
191.17926	3.4
196.07364	1.3
201.16389	0.9
203.17952	1.4
205.19484	0.8
209.18956	1.6
219.48427	0.6
227.20076	2.1
229.19530	6.7
232.33649	0.6
246.22130	1.6
247.18120	1.2
247.20573	13.5
259.09570	1.2
264.23224	9.3
264.25784	0.4
265.21634	6.2
270.36673	0.5
274.21637	2.9
282.24283	4.7
283.22733	1.5
292.22702	6.1
293.21075	0.8
300.25333	4.4
310.23755	17.5
318.26416	7.2
328.24826	100.0
329.25247	0.7
337.23538	0.6
346.25891	88.3
347.26367	0.6
371.27356	0.6
392.11896	0.6
402.10150	0.6
478.22250	1.0
496.22995	1.2
520.88171	0.5
536.40894	0.7
576.29938	1.0
594.31183	1.9
598.23322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00021	0.4
53.03948	2.7
55.01868	2.6
55.05514	2.5
56.05029	1.8
57.03436	2.8
57.23783	0.4
58.06594	0.5
60.04527	9.0
61.02913	1.5
67.05502	4.1
68.05017	1.2
68.99797	0.8
69.03432	16.2
69.07067	2.3
70.06596	3.9
71.01033	1.0
71.04996	2.8
72.04516	1.6
72.08145	0.5
73.02935	2.8
74.06078	0.7
79.05495	2.2
80.05013	7.3
81.03419	14.9
81.07051	3.8
82.06580	3.8
83.04987	1.4
83.08636	0.6
84.04491	0.9
84.08148	0.9
85.02908	16.9
85.06554	1.3
86.09700	0.6
87.00826	5.2
87.04472	0.7
90.05626	0.5
91.05485	2.9
93.07042	2.9
94.06023	0.8
94.06574	9.7
95.04989	0.6
95.08620	4.2
96.08157	0.8
97.02885	7.5
97.06516	1.0
98.06066	1.6
99.04451	5.0
102.05525	0.5
103.03969	0.9
103.33724	0.5
105.01869	1.6
105.07035	0.8
106.06554	1.0
107.08624	1.4
108.08128	1.5
109.02879	9.7
109.10162	0.7
110.06030	0.9
111.04420	0.6
111.08120	1.5
115.03976	0.8
116.07067	0.6
117.07008	0.5
119.08594	1.4
120.08105	2.1
121.10142	1.8
122.09727	0.6
126.09147	0.6
127.03913	12.5
129.01836	1.2
131.08540	0.9
132.06586	0.4
133.10141	1.0
134.09663	0.8
135.11697	0.5
138.12779	0.6
145.04996	2.1
145.10133	0.8
148.11234	0.8
159.02939	1.9
179.14330	1.9
180.13940	0.6
187.05998	1.1
195.17381	0.5
196.46046	0.5
206.15366	0.9
208.16928	0.8
214.27213	0.5
223.20613	0.5
224.20132	2.1
231.05075	0.5
236.16574	0.6
236.20085	6.9
241.06442	0.7
244.20755	1.1
254.21152	8.8
262.21677	1.6
264.19635	0.9
264.23337	0.9
272.22559	0.6
274.21646	6.6
282.20767	0.7
283.06091	0.9
288.89178	0.5
292.22672	7.5
300.21750	0.5
310.23785	4.7
313.07080	3.1
328.21539	0.4
328.24811	29.3
346.25888	55.6
347.26263	0.6
354.11752	0.9
370.25864	1.1
388.26923	1.6
414.24817	0.8
415.10248	0.5
415.83163	0.5
427.31451	0.5
508.31226	1.0
514.30035	0.6
528.33282	0.5
532.31317	1.3
550.32184	19.6
551.32605	0.6
576.29999	5.3
594.31219	100.0
595.31445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01866	2.2
55.05498	1.7
56.05029	1.0
57.03422	1.9
60.04531	10.3
61.02911	2.0
67.05512	3.4
68.05044	1.3
68.99790	0.8
69.03075	1.1
69.03432	14.4
69.07059	1.7
70.06588	1.3
71.04994	4.2
71.28313	1.0
71.28654	0.6
72.04519	1.0
73.02927	3.1
73.80341	0.6
79.05502	2.0
80.05021	6.1
81.03419	13.3
81.07056	2.7
82.06578	4.6
83.04980	1.0
83.08604	0.8
84.04493	1.2
84.08152	1.0
85.02905	14.3
86.06085	0.7
87.00836	3.9
87.04470	1.5
89.93111	0.5
90.05544	1.4
91.05476	2.1
93.07040	2.4
94.06574	7.2
95.04961	0.6
95.08618	2.4
96.08140	0.8
97.02897	7.7
97.06534	5.4
98.06036	0.7
99.04449	5.0
102.05531	0.6
103.03955	1.4
105.01876	1.7
105.07050	0.7
107.08588	1.1
108.08130	2.8
109.02888	9.9
109.10109	0.7
110.06002	0.7
112.07572	0.6
115.03939	0.9
116.07094	1.5
117.07041	0.6
119.08577	1.6
120.08128	1.8
121.10136	1.5
127.03921	12.0
129.01842	1.3
131.08620	0.7
133.10127	1.1
134.09644	1.1
136.07607	0.8
145.04982	2.0
159.02907	2.8
222.18469	0.7
224.20146	1.9
231.04974	0.6
236.20070	8.4
250.17813	0.6
254.21149	6.1
262.21619	2.9
264.23218	2.7
274.21674	9.8
292.22635	6.6
310.23788	3.9
328.24823	48.6
330.26572	0.8
330.42807	0.5
346.25897	34.5
352.25082	0.7
370.25952	0.7
388.26981	1.5
508.31232	1.1
532.31281	1.8
550.32251	18.5
576.30237	3.9
594.31226	100.0
595.31042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01891	3.0
55.05511	3.0
56.05038	2.3
57.03438	2.4
60.04532	12.4
60.04816	1.2
61.02939	1.6
67.05508	5.8
68.05043	1.7
68.99814	1.0
69.03436	14.2
69.07083	0.9
70.06601	6.2
71.04993	3.0
72.04545	1.9
72.08170	1.0
73.02916	3.0
74.06098	1.4
79.05511	4.6
80.05016	5.5
81.03432	11.1
81.07066	6.0
82.06600	2.5
83.05004	1.3
84.04523	2.8
84.08170	2.1
85.02911	16.8
85.06578	1.3
86.06105	0.6
86.09728	2.2
87.00837	4.8
87.04489	1.1
91.03989	0.8
91.05474	3.5
92.99850	0.7
93.07045	4.2
94.06572	5.6
94.07043	0.6
95.04993	1.3
95.08611	3.6
96.04533	0.8
96.08170	1.1
97.02895	7.9
97.06536	1.1
98.06075	2.1
98.20784	1.6
99.04469	4.0
102.05579	1.2
103.03973	0.6
103.05505	0.7
105.01887	1.8
105.07079	1.1
106.06589	1.0
107.08640	2.6
108.08161	1.2
109.02883	8.7
109.03455	0.8
109.10195	1.6
110.06091	2.6
111.04507	0.8
111.08128	1.1
114.05561	1.1
116.07096	1.4
117.07049	0.9
119.08652	2.2
120.08150	2.8
121.02875	1.0
121.10210	2.2
122.06001	0.7
122.09716	0.6
122.21879	0.6
124.07602	1.3
124.11214	0.7
127.03931	12.5
129.01903	0.9
129.06978	0.8
129.10298	1.1
131.04921	0.9
131.08598	1.4
132.06572	5.2
133.10153	1.4
134.06078	0.8
134.09657	1.1
135.11720	0.7
136.07574	0.9
137.09612	0.8
138.09187	0.7
138.12804	0.7
144.06583	1.5
145.05017	2.2
145.10214	1.1
146.08189	1.9
147.03082	0.7
147.04425	0.7
147.11804	0.8
148.11308	0.7
159.02956	2.6
165.85724	0.7
172.09795	1.1
179.14421	1.4
204.08727	1.0
224.20258	1.4
236.20102	5.0
246.18562	0.8
254.21155	9.4
262.21796	1.2
272.22382	1.2
274.21716	3.2
283.06229	2.5
284.06912	1.4
287.05515	1.3
290.21240	1.2
292.22742	5.4
295.06030	0.9
297.07840	0.8
308.22266	1.2
310.23788	6.3
311.24091	0.7
313.07104	4.9
328.24854	34.5
337.07144	1.4
343.07941	0.7
344.24374	1.8
346.25919	28.7
347.26382	1.5
370.26138	1.4
397.09338	1.2
398.25684	1.2
414.24884	5.6
415.10623	1.5
416.26578	1.6
431.18927	1.2
432.19443	2.4
432.26279	1.2
433.11426	8.0
435.66248	0.7
508.31390	1.1
532.31641	3.6
534.29150	0.8
550.32275	14.4
576.30206	12.8
594.31525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01870	7.3
55.05519	19.9
57.03435	15.9
57.07078	9.9
61.02918	14.6
67.05508	62.4
67.75607	3.8
69.03429	55.9
69.07072	33.4
71.04992	12.0
71.08643	4.4
72.08179	4.2
73.02910	8.7
79.05499	36.5
79.93017	3.5
81.03429	38.3
81.07062	94.4
83.04961	8.3
83.08614	22.2
85.02909	100.0
85.06543	5.3
87.00842	43.8
91.03935	9.4
91.05461	23.7
93.07048	55.7
95.04979	10.4
95.08619	88.9
97.02915	52.4
97.06521	9.3
97.10172	5.6
98.20718	7.8
99.04444	19.2
105.01865	48.1
105.07039	31.9
107.04971	9.0
107.08607	47.5
109.02880	32.7
109.06528	5.2
109.10164	41.0
111.04420	4.6
111.08112	6.9
111.11723	8.2
117.07009	14.7
119.04962	4.2
119.08599	22.9
121.06495	5.9
121.10161	32.4
123.11700	28.4
125.09630	4.8
127.03930	72.0
129.07010	6.0
131.08594	12.5
133.10173	17.8
135.11710	35.9
137.09714	4.2
137.13257	13.6
141.06882	4.0
143.70241	3.9
145.04962	22.6
145.10156	8.3
147.04424	12.1
147.08058	4.7
147.11702	12.9
149.09593	4.0
149.13245	36.9
151.14818	7.4
153.12764	4.7
159.02890	11.4
159.11647	22.1
161.09637	6.5
161.13258	8.1
163.14857	14.9
171.11661	3.9
175.14807	3.8
177.12741	13.7
177.16354	4.8
179.14368	6.4
183.13882	5.0
189.49707	4.1
191.18001	5.2
195.13850	6.7
207.57463	3.8
229.51117	5.4
231.04999	23.0
249.06122	5.8
251.16316	5.0
269.17474	74.5
273.25778	13.9
275.19980	10.7
287.03729	4.6
289.05151	27.4
289.25262	5.2
291.26837	14.9
309.20062	3.8
309.28052	9.0
327.22906	4.0
349.23688	10.9
363.27515	4.3
367.17758	10.5
399.28897	5.4
413.21725	9.5
491.30313	5.5
521.31384	4.5
532.36542	4.1
575.27563	6.0
593.29498	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	593.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52653	0.5
55.01859	0.6
55.05490	1.2
55.79866	0.5
57.07052	0.7
67.05506	3.4
69.03424	0.7
69.07037	2.5
69.23656	4.0
69.24059	1.0
71.04961	1.0
71.08602	0.6
78.62770	0.5
78.66200	0.5
79.05469	1.7
79.94083	0.5
80.48290	0.6
81.03410	1.1
81.07066	6.2
83.04990	0.8
83.08601	1.4
85.02876	2.0
85.06564	1.1
91.05435	1.8
93.07060	4.3
95.08614	5.4
96.67882	0.6
97.02859	0.9
97.06533	0.8
97.10140	1.0
98.09653	0.8
101.00864	1.0
105.01833	0.9
105.07021	3.3
107.08581	2.3
108.84169	0.6
109.02880	0.6
109.10151	3.3
117.07052	0.5
119.01947	1.1
119.08558	1.8
121.10118	1.7
123.11684	1.6
127.03903	1.6
131.08508	1.4
133.10110	1.9
135.11655	1.4
137.13251	0.7
143.01942	1.2
145.10114	0.7
147.04333	0.7
147.11606	1.2
149.13263	1.4
151.11221	0.6
159.11700	0.6
161.02968	1.4
171.05006	1.0
175.14751	0.6
185.04276	0.9
187.00916	0.9
189.16396	0.6
196.07387	0.5
201.92964	0.5
203.05255	3.6
227.05302	1.7
243.04802	1.6
245.06310	9.3
269.17554	1.4
271.04349	1.7
273.25803	1.1
287.03726	14.4
289.05310	100.0
291.26788	1.0
309.27737	0.7
327.22943	6.0
329.24454	2.2
345.24084	1.1
385.11969	0.8
413.21561	1.3
417.14789	1.0
495.21982	1.3
505.24078	10.4
531.29584	3.2
549.30475	7.3
557.27197	12.7
575.28314	50.6
576.28149	0.7
588.90424	0.6
593.29321	76.5
594.29773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52653	0.5
55.01859	0.6
55.05490	1.2
55.79866	0.5
57.07052	0.7
67.05506	3.4
69.03424	0.7
69.07037	2.5
69.23656	4.0
69.24059	1.0
71.04961	1.0
71.08602	0.6
78.62770	0.5
78.66200	0.5
79.05469	1.7
79.94083	0.5
80.48290	0.6
81.03410	1.1
81.07066	6.2
83.04990	0.8
83.08601	1.4
85.02876	2.0
85.06564	1.1
91.05435	1.8
93.07060	4.3
95.08614	5.4
96.67882	0.6
97.02859	0.9
97.06533	0.8
97.10140	1.0
98.09653	0.8
101.00864	1.0
105.01833	0.9
105.07021	3.3
107.08581	2.3
108.84169	0.6
109.02880	0.6
109.10151	3.3
117.07052	0.5
119.01947	1.1
119.08558	1.8
121.10118	1.7
123.11684	1.6
127.03903	1.6
131.08508	1.4
133.10110	1.9
135.11655	1.4
137.13251	0.7
143.01942	1.2
145.10114	0.7
147.04333	0.7
147.11606	1.2
149.13263	1.4
151.11221	0.6
159.11700	0.6
161.02968	1.4
171.05006	1.0
175.14751	0.6
185.04276	0.9
187.00916	0.9
189.16396	0.6
196.07387	0.5
201.92964	0.5
203.05255	3.6
227.05302	1.7
243.04802	1.6
245.06310	9.3
269.17554	1.4
271.04349	1.7
273.25803	1.1
287.03726	14.4
289.05310	100.0
291.26788	1.0
309.27737	0.7
327.22943	6.0
329.24454	2.2
345.24084	1.1
385.11969	0.8
413.21561	1.3
417.14789	1.0
495.21982	1.3
505.24078	10.4
531.29584	3.2
549.30475	7.3
557.27197	12.7
575.28314	50.6
576.28149	0.7
588.90424	0.6
593.29321	76.5
594.29773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94323	0.4
55.01881	0.6
55.05523	1.7
56.96584	0.5
57.03435	1.3
64.45809	0.4
65.03963	0.6
67.05505	4.2
69.07083	1.3
70.45447	0.6
70.45798	1.6
71.05000	1.1
72.87598	0.4
76.29144	0.6
79.05492	4.3
81.07050	5.2
83.04990	0.6
83.08643	1.0
91.05469	4.2
92.36271	0.4
93.07053	5.4
95.04983	0.6
95.08604	2.9
97.06532	0.6
98.20793	0.5
98.98490	1.2
105.07029	3.4
107.08588	3.5
109.10185	1.9
117.07041	1.2
119.01957	0.6
119.08582	4.1
121.06518	0.5
121.10171	2.5
127.00019	1.0
129.05495	0.8
131.08606	1.4
133.10110	2.4
135.11749	1.5
145.10156	1.5
147.11664	2.5
149.13295	0.9
157.10170	0.8
159.11702	1.5
161.13243	2.5
163.14919	0.7
171.05060	0.5
171.11771	1.3
173.13309	0.9
175.14857	0.6
185.04242	1.1
185.13364	1.3
203.05424	0.6
215.17964	0.6
216.84633	0.4
217.19618	1.1
235.72916	0.4
241.19540	4.5
243.21198	0.6
245.06529	2.0
259.20743	2.1
269.10620	0.7
275.20172	0.8
287.03726	3.0
289.05316	13.1
291.19635	0.5
315.23361	0.7
323.39407	0.5
327.22958	14.2
329.24432	5.0
333.24234	21.9
337.28159	0.6
342.42673	0.5
367.18094	0.7
384.59729	0.5
387.23962	0.8
431.18878	0.7
505.24344	1.3
538.37653	0.5
549.30255	7.0
575.28400	2.0
593.29498	100.0
594.29669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.8
69.07041	0.7
69.22963	4.9
71.04946	0.7
71.48950	0.5
79.05460	0.8
81.07014	1.6
91.05437	1.6
93.06998	2.2
95.08578	0.9
101.00856	0.7
105.07010	0.9
107.08554	1.9
109.10077	0.6
119.01891	1.1
119.08530	0.8
133.10068	0.6
135.11711	1.2
147.11618	0.6
153.03963	1.1
161.02875	0.6
171.05048	3.8
185.04227	0.9
203.05278	3.7
206.28688	0.5
206.39314	0.5
217.58179	0.6
227.05298	1.5
229.03194	0.8
230.98308	0.5
236.37851	0.5
243.04773	0.9
245.06366	10.1
263.02066	0.5
271.04160	1.1
287.00729	1.0
287.03738	12.3
289.05313	100.0
293.37042	0.6
309.21924	0.6
327.22943	9.4
329.24603	2.5
333.24631	0.6
345.23840	1.3
351.21796	1.0
387.24002	2.9
405.24792	0.9
505.24161	7.7
507.22131	1.6
531.29297	2.6
549.30414	9.4
557.27209	11.2
557.35278	0.9
573.53424	0.5
575.28333	34.6
576.28424	0.9
593.29413	71.2
594.29559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17656	0.6
76.48150	0.2
81.11813	0.3
86.37601	0.2
97.87360	0.2
102.75143	0.3
107.75403	0.3
128.54037	0.2
141.80606	0.3
221.10768	0.3
293.67340	0.3
388.16858	0.5
389.17581	1.1
390.18579	0.5
402.18671	0.9
403.19141	3.0
404.20224	0.9
405.20737	2.0
415.19382	0.5
416.20184	1.0
417.16324	0.5
417.21268	4.2
418.21848	1.8
419.22379	3.4
430.17886	1.0
431.18167	7.6
431.23593	0.6
432.19473	1.9
432.24060	0.7
433.24194	7.9
434.24692	1.2
444.19565	0.8
445.19861	9.1
446.20743	4.6
447.21741	4.4
449.23407	0.7
459.21695	3.8
460.22580	11.7
461.23251	11.0
473.23752	2.4
474.24203	0.5
476.26059	1.2
477.26834	0.6
478.23816	0.3
487.24960	1.2
491.24451	1.1
492.25085	1.4
505.21887	4.4
515.24341	0.5
518.23358	0.5
519.24091	0.7
533.25525	44.5
534.25964	0.9
547.26843	0.5
561.24915	0.4
564.23718	0.5
565.28534	1.4
575.26575	0.5
593.27600	100.0
594.27740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.26717	0.2
53.40997	0.2
69.49993	0.6
69.50424	0.7
70.02290	0.2
72.14134	0.2
74.28896	0.2
115.85962	0.2
151.73132	0.2
176.20493	0.2
223.12332	0.2
314.16476	0.2
319.32056	0.2
376.17953	0.2
387.16254	0.4
389.17508	1.0
390.18643	0.2
401.17813	0.4
402.18353	0.5
403.19193	1.9
404.20172	0.9
405.20782	1.5
406.21686	0.2
416.20267	0.4
417.16544	0.8
417.21518	2.5
418.21906	1.2
419.22424	3.0
421.24069	0.3
430.17899	0.6
431.18213	6.5
432.18430	1.5
432.23990	0.5
433.24265	4.7
434.24692	1.0
444.18903	0.3
445.19858	7.5
446.20740	4.0
447.21713	4.5
449.23456	0.5
459.21597	3.5
460.22577	9.1
461.23349	7.8
462.20358	0.4
473.23697	2.0
474.24246	0.4
476.25476	0.8
477.22678	0.5
487.25076	0.7
489.26343	0.8
491.24176	0.7
492.25223	1.1
504.21509	0.3
505.21951	4.9
515.24561	0.3
518.23029	0.7
519.23608	0.9
533.25494	24.9
534.25995	0.6
547.27234	0.3
564.23792	0.8
565.27789	0.7
578.25000	0.2
593.27576	100.0
594.28101	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	593.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44888	0.4
53.03929	1.3
55.01861	1.7
55.05508	3.9
56.96552	0.6
57.03193	0.5
57.03444	7.9
57.07059	1.4
67.05507	12.8
69.03422	0.9
69.07068	4.1
71.04974	0.8
71.57386	0.6
73.02910	0.9
77.03918	0.6
79.05069	0.8
79.05496	13.6
81.03419	3.6
81.06579	0.8
81.07056	15.1
83.04980	1.3
83.08613	2.2
85.06522	0.7
86.09648	0.5
91.05480	15.0
93.06477	1.0
93.07043	16.4
95.04947	1.4
95.08610	10.4
97.06522	1.6
97.10167	0.6
98.98467	8.4
99.04438	1.2
99.08055	0.5
103.03935	1.5
105.07035	14.8
107.04951	0.9
107.08600	11.3
109.02850	1.0
109.06516	1.1
109.10171	4.0
111.04482	0.6
117.07015	4.7
119.08588	15.1
121.06465	0.5
121.09315	0.8
121.10146	9.6
123.08015	0.8
123.11703	1.2
125.09626	0.5
127.03856	0.4
128.06209	0.6
129.05492	4.1
129.06993	2.8
130.02135	0.5
130.82317	0.4
131.08569	8.3
133.06485	0.7
133.10133	10.3
135.08084	0.8
135.11699	7.4
137.09610	0.7
143.08568	2.5
145.10117	6.3
147.08044	0.5
147.11702	8.2
149.09578	1.0
149.13239	4.4
151.14859	0.4
155.01013	0.9
155.07022	2.5
155.08421	0.6
157.10149	3.0
159.11687	6.0
161.13261	8.4
163.11145	0.9
163.14825	3.2
171.11694	4.9
173.02092	0.7
173.13272	4.6
175.14835	5.2
177.16342	0.5
183.11850	0.7
185.13275	3.9
187.14795	1.6
189.16432	0.5
190.79364	0.5
191.14371	0.5
197.13266	0.7
199.14844	2.5
203.14594	0.4
209.88467	0.4
213.16316	1.5
215.17967	3.4
217.19530	5.9
224.66524	0.4
231.21071	1.8
241.19521	20.2
243.21118	2.4
259.20554	11.0
261.03827	0.5
275.04736	0.4
275.20068	1.3
277.21713	1.2
287.03699	0.5
289.05325	1.0
291.19708	1.1
292.19434	0.4
297.21954	1.0
315.23087	2.7
317.06393	0.6
333.24234	100.0
334.24457	1.1
335.07419	1.8
349.17096	0.5
381.19342	1.3
431.18839	1.7
443.01337	0.4
549.29956	0.5
565.45178	0.5
575.27246	0.9
593.23511	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	592.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01882	4.2
55.05512	4.2
56.05034	2.3
57.03432	2.7
59.05002	0.9
60.04255	1.2
60.04527	13.5
60.26454	0.7
61.02927	5.7
65.06976	0.6
67.05505	6.7
68.05022	2.2
69.03077	0.8
69.03435	9.8
69.07079	3.6
69.50065	4.4
70.06592	5.8
71.01353	1.5
71.04993	2.5
72.04523	1.9
72.08157	1.4
73.02921	3.6
74.06092	1.0
79.05507	5.2
80.05019	11.7
81.03424	6.8
81.07053	7.0
82.03756	0.9
82.06575	3.8
83.01320	0.8
83.04984	2.9
83.08630	1.6
84.04507	2.2
84.08141	2.0
85.02910	8.1
85.06567	0.9
86.03283	0.8
86.06015	0.9
86.09720	1.5
87.00849	2.3
87.04463	1.4
90.05562	1.2
91.03932	3.4
91.05480	4.9
92.39177	0.8
93.07047	5.2
94.06577	13.1
95.04977	4.0
95.08600	5.1
96.05288	0.8
96.08168	1.2
97.02287	1.1
97.02898	14.5
97.06527	2.5
97.10165	0.8
98.06046	2.4
98.20785	1.4
98.97576	1.2
101.02387	2.0
101.89755	0.7
103.03970	0.8
103.77355	0.6
105.07059	3.3
106.06554	1.3
107.04980	1.7
107.08586	3.1
108.05308	0.8
108.08138	1.6
109.02895	1.6
109.06558	1.4
109.10127	1.6
110.06052	0.7
110.07172	0.7
111.08092	2.7
112.07635	1.0
112.40733	0.6
113.02348	2.0
115.03940	2.4
116.07096	1.7
117.07048	1.2
119.05037	0.9
119.08566	1.2
120.08108	3.0
120.08898	1.2
121.06470	1.0
121.10120	1.9
122.09645	0.7
123.04439	1.4
123.08096	1.3
124.04827	1.0
125.02350	4.2
127.03938	1.9
129.07013	1.2
129.10310	0.8
131.04950	1.0
131.08591	1.3
133.06549	0.9
133.10170	1.9
134.09683	1.3
135.11670	1.4
143.03366	4.8
145.10117	1.1
147.04448	1.8
147.11702	1.7
150.34962	0.7
157.10135	0.8
161.04503	2.6
161.05977	0.8
163.11214	1.0
165.12816	0.8
176.14293	0.7
179.14388	0.8
183.06645	0.6
193.12263	1.4
202.07182	0.8
206.15463	0.7
208.16928	1.0
211.13379	0.7
212.13618	1.1
220.16960	0.8
221.89317	0.6
224.20135	2.5
234.08728	2.0
235.13332	1.3
236.13739	2.1
236.16235	1.0
236.20105	4.0
246.18590	1.5
254.21147	5.7
262.21771	2.4
264.23312	1.9
267.15909	1.6
268.16321	1.4
274.15137	1.4
274.21658	8.4
282.20718	1.8
292.22736	8.4
300.21820	2.6
302.14795	1.5
309.16922	1.3
310.17325	1.1
310.23679	5.2
320.16116	0.7
325.13983	0.8
326.23279	0.8
328.24811	27.6
338.23581	0.7
344.24509	0.9
346.25897	17.1
346.29889	1.3
356.24304	1.8
374.25351	4.7
375.18167	0.9
376.18573	1.6
388.27191	1.1
394.19547	1.2
396.23291	0.8
412.20151	0.9
413.55145	0.7
414.25031	1.9
417.11588	0.8
426.00287	0.8
430.21924	0.8
506.29486	2.6
530.29401	0.9
548.30670	31.0
574.29236	0.9
592.29663	100.0
593.13385	1.2
593.22241	12.2
593.30585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01875	2.5
55.05529	4.5
56.05031	2.5
57.03445	3.9
58.06620	0.8
59.03982	0.8
60.04531	12.7
60.10656	0.6
61.02927	6.6
67.05517	8.0
68.05033	2.1
68.99835	1.0
69.03435	10.3
69.07071	3.1
69.23299	2.8
69.23729	3.9
70.06592	4.3
71.01354	1.9
71.04997	2.8
73.02915	3.6
79.05492	4.7
80.05025	9.4
80.89473	0.8
81.03429	8.5
81.07056	6.5
82.03767	1.7
82.06588	4.4
83.04977	3.4
83.08649	1.7
84.08148	1.0
85.02914	11.3
85.06528	1.4
86.03251	1.3
86.09717	1.3
87.00835	2.4
87.04494	1.7
90.05567	1.4
91.03974	3.7
91.05471	4.5
93.07048	4.7
93.22304	0.8
94.06577	13.0
95.04965	3.7
95.08623	4.6
96.05321	1.7
96.08120	1.1
97.02901	13.7
97.06531	2.8
98.03193	0.9
98.06056	2.4
99.04482	0.9
101.02391	2.1
103.03925	1.1
105.07046	2.8
106.06551	1.4
107.05004	1.2
107.08607	1.9
108.08162	1.7
109.02908	1.6
109.06538	1.0
109.10178	0.8
111.08105	2.5
113.02376	1.5
115.03912	3.6
116.07101	1.3
119.08607	2.3
120.08122	2.3
121.06473	0.9
121.10140	2.4
122.09616	0.7
123.04477	1.6
124.04829	1.1
125.02347	4.3
127.03918	1.8
129.07034	0.9
131.04964	1.5
131.08603	1.7
133.10104	1.4
134.09691	1.2
143.03392	4.7
145.04950	1.9
145.10185	1.3
147.04446	1.2
159.11630	0.9
161.04475	2.4
176.14314	0.8
179.14368	1.2
190.15802	0.8
191.10828	0.9
193.12271	1.4
206.15431	1.1
220.17020	1.1
224.20126	3.2
235.13292	1.9
236.13689	1.7
236.20193	3.2
244.20796	0.9
246.15106	0.8
246.18550	1.7
250.21773	1.0
254.21170	4.8
262.21759	3.0
264.19751	0.8
264.23209	1.3
267.15942	1.3
268.16357	1.9
273.14835	1.0
274.15292	0.8
274.21640	8.1
282.20645	1.2
292.22696	8.6
300.21887	1.8
302.14743	1.0
309.17120	1.8
310.17426	2.0
310.23849	5.3
328.24872	29.4
346.25925	17.4
356.24298	1.0
374.25381	5.4
376.18491	3.6
394.19528	1.8
411.19058	0.9
412.20660	1.7
414.25055	2.1
506.29639	2.1
520.22351	1.0
543.03857	0.8
548.30695	34.8
549.30804	0.8
574.28333	1.3
592.29681	100.0
593.22217	6.4
593.30023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.4
55.05507	19.6
57.03440	3.0
57.07071	7.0
59.05009	17.1
61.01688	1.7
61.02902	3.1
67.05508	30.6
69.03427	12.5
69.06728	3.2
69.07072	44.8
69.20557	2.4
70.45698	5.8
71.04994	4.3
77.98901	1.9
78.78561	2.0
79.05486	19.1
81.03417	7.6
81.07059	100.0
83.04971	3.5
83.08617	13.8
85.02907	14.5
85.06540	4.3
87.00829	8.4
91.05474	17.1
93.06477	2.7
93.07043	44.7
95.04990	5.5
95.08611	98.5
97.02891	9.9
97.06552	12.2
97.10175	9.9
98.21364	2.4
98.97533	2.5
99.04464	1.9
105.01864	4.6
105.07038	18.9
107.08601	34.3
109.02868	6.6
109.06548	3.9
109.10158	54.5
111.11724	9.8
117.07021	5.9
119.08591	14.4
121.06531	2.3
121.10147	38.1
123.04430	2.5
123.11711	31.3
125.09623	3.7
127.03941	11.1
131.08574	8.8
133.10118	16.0
135.11688	40.1
137.05971	2.3
137.09662	2.4
137.13264	47.5
139.11162	10.7
141.10466	1.9
145.04974	5.3
145.10165	4.7
147.04442	4.7
147.11705	10.0
149.09683	2.6
149.13266	34.3
151.14763	2.4
153.12730	5.4
159.11670	6.9
161.09612	1.9
161.13271	7.6
163.14799	5.9
167.14291	2.4
173.13315	4.2
175.14825	7.4
177.16377	5.3
187.14839	5.8
189.16409	4.7
201.16466	3.6
203.17874	2.0
205.19601	9.8
215.18013	3.7
219.21222	1.9
231.21100	15.9
232.15881	2.2
244.09753	2.2
249.22055	3.2
271.24179	16.8
275.20120	2.5
277.25259	6.0
289.05273	4.7
289.25247	48.6
295.26462	2.7
297.28528	2.0
307.26294	31.6
325.27332	4.2
327.26343	3.0
331.22754	3.9
415.28592	5.3
501.28528	2.3
519.29816	4.5
591.39825	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	591.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40098	0.3
53.03948	0.7
55.01881	0.4
55.05511	2.4
56.05041	7.6
60.04527	3.2
61.02921	0.7
65.03956	1.0
67.05505	3.2
68.05027	0.9
69.03431	1.5
69.07066	1.5
69.51358	2.8
70.06606	3.6
71.04992	0.4
72.04506	0.4
72.08152	0.5
73.02916	0.6
79.05489	3.8
80.05009	2.7
81.03432	2.2
81.07062	3.7
82.06580	3.9
83.04989	1.1
83.08627	0.4
84.04515	1.6
84.08147	97.7
85.02900	2.6
86.09713	1.6
91.05482	7.3
93.05806	0.8
93.07044	3.7
94.06581	5.7
94.83628	0.4
95.04973	0.9
95.08597	1.9
96.08143	3.3
97.02895	1.6
97.06556	0.9
97.08926	1.9
98.06049	0.5
98.09694	3.1
99.04447	0.4
100.07639	0.4
105.07031	2.6
106.06570	1.5
107.04971	0.7
107.07422	0.4
107.08604	1.4
108.08131	1.8
109.06536	0.4
109.10159	1.0
109.86774	0.4
110.06070	0.8
110.07189	0.7
110.09695	6.8
114.09171	2.2
116.82052	0.4
117.07038	0.7
119.04951	10.6
119.08614	1.4
120.08110	2.2
121.10152	1.2
122.06064	0.5
122.09665	2.1
123.08085	0.4
123.10477	1.2
123.11662	0.4
124.11247	1.8
126.09159	3.8
127.03924	0.7
129.07053	1.3
131.08572	1.7
132.08072	1.0
133.08966	0.4
133.10164	1.4
134.09680	2.1
136.11205	2.8
137.05934	0.5
137.12013	0.5
145.05000	0.4
145.10184	0.5
146.09676	0.5
147.04416	35.3
147.11713	1.2
148.04768	0.6
148.11232	1.5
149.09680	0.5
150.12808	1.2
153.01857	1.0
157.10173	0.7
160.11182	0.6
162.12840	1.6
163.03929	0.9
163.11234	0.6
164.14380	1.3
174.12819	4.5
175.11316	0.5
176.14368	2.1
178.15958	1.1
186.12967	0.4
188.14359	0.9
190.15932	2.0
192.13852	2.3
192.17621	0.4
193.12291	0.9
204.17570	0.6
206.15288	0.5
210.14934	0.8
213.05515	0.6
216.17520	0.7
218.19092	1.1
222.15346	0.4
228.15897	0.5
236.20164	0.9
242.19212	0.6
242.41911	0.4
248.20197	1.8
254.19073	0.7
259.21686	4.2
260.04889	0.4
260.20261	0.4
266.21152	0.4
267.16101	2.1
271.21713	4.0
272.20151	1.4
277.22635	1.9
281.05063	0.4
289.22797	4.0
290.21295	1.3
297.04068	0.9
300.15384	0.4
301.22626	3.6
307.23825	1.6
311.05539	2.7
313.22894	0.4
319.23859	1.8
325.24805	2.0
331.23969	2.2
339.08627	4.7
347.09351	0.5
349.24866	6.1
355.15524	1.4
367.25952	7.5
383.11298	1.1
385.27170	0.9
409.27026	0.4
411.19968	0.5
415.13974	4.0
427.28275	0.9
429.19904	0.8
453.27655	0.4
471.28485	3.8
495.28555	1.0
513.29602	21.2
531.23059	0.3
531.30640	7.2
555.30438	0.9
573.31726	30.6
574.31714	0.7
591.32770	100.0
592.33081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69207	0.4
53.03944	0.7
54.23575	0.5
55.01870	0.6
55.05517	2.0
56.05040	6.4
56.96560	0.9
60.04537	3.1
65.03953	0.8
67.05511	3.7
68.05042	0.7
69.03433	1.5
69.07079	1.6
69.56718	3.0
70.06602	2.9
72.04510	0.7
74.06059	0.4
76.43666	0.4
79.05489	2.9
80.05037	1.8
81.03419	1.7
81.07059	4.6
82.06588	2.6
83.04985	0.5
83.08644	0.6
84.04520	1.5
84.08148	93.9
85.02915	1.5
86.09715	1.0
91.05483	6.7
93.05810	0.8
93.07034	2.8
94.06574	4.8
95.04983	1.3
95.07385	0.6
95.08605	3.6
96.08135	2.6
97.02917	1.1
97.06536	1.1
97.08918	2.2
98.09675	2.1
98.97566	0.7
99.04429	0.5
100.96516	0.4
102.05527	0.4
105.07012	2.5
106.06571	1.2
107.04964	0.8
107.08603	1.8
108.08143	1.3
109.02879	0.9
109.10184	1.5
110.06052	0.7
110.07213	0.4
110.09689	7.7
112.07616	0.5
114.05563	0.7
114.09174	2.3
117.07034	0.4
119.04956	8.3
119.05774	0.6
119.08629	1.5
120.08128	1.5
121.10155	1.8
122.09655	2.4
123.10514	0.7
123.11730	1.7
124.07632	0.5
124.11268	1.2
126.09174	2.7
127.03915	1.0
129.07028	0.7
131.08594	1.1
132.08109	0.6
133.10202	1.3
134.09682	2.2
135.08052	0.7
135.11693	0.9
136.11252	3.3
137.13255	0.6
145.10106	1.0
147.04417	34.9
147.11742	1.1
148.11247	2.0
149.09596	0.5
149.13281	0.6
150.12807	1.4
157.10205	0.4
159.11703	0.5
160.11295	0.5
161.13254	0.5
162.12794	1.3
163.03952	1.3
164.14418	2.0
173.02460	0.5
173.13417	0.4
174.12770	4.5
176.14406	1.9
178.15997	1.8
178.94539	0.4
187.04013	0.8
190.15891	2.4
192.13890	1.3
204.17476	0.6
210.15176	0.6
213.05486	0.7
218.19069	0.8
220.20729	0.6
236.20164	0.8
243.22055	0.5
248.20090	2.6
254.19112	0.5
259.21698	3.1
266.21106	0.6
271.21667	4.6
272.20114	1.4
277.22879	2.2
283.09741	0.9
289.22668	3.7
290.21124	0.9
299.15384	0.6
301.22766	4.5
307.23578	0.9
310.58118	0.5
311.05692	0.7
315.13342	0.5
319.23929	2.2
325.24646	2.4
331.23569	2.3
349.24881	5.2
355.15512	2.1
367.25940	6.9
383.11569	0.6
385.26819	0.7
401.12045	0.5
409.27252	0.5
415.14075	2.0
427.28259	0.7
429.19351	0.6
447.76443	0.5
471.28531	3.4
495.28171	0.9
513.29620	21.4
531.30743	6.8
547.23901	0.7
555.30225	0.5
573.22681	1.0
573.31757	23.9
591.32794	100.0
592.33588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.4
55.01852	0.4
56.96564	22.6
57.08609	0.4
59.71411	0.4
67.05467	1.2
69.07057	0.6
70.28873	1.4
70.98133	2.4
71.95262	2.3
72.96021	0.7
79.05502	2.6
81.03370	0.4
81.07016	1.4
84.95989	1.6
84.97337	0.4
88.99120	0.5
91.05435	1.6
93.07005	1.2
95.08578	0.8
97.96773	0.5
98.97536	1.3
105.00110	1.2
105.07012	0.6
107.08573	1.0
109.06500	0.5
109.10067	0.6
110.97569	4.2
115.00700	0.9
116.98582	0.5
119.08463	0.6
123.01183	0.8
127.00648	0.7
128.98616	4.4
129.02193	0.8
131.00150	0.6
131.08470	0.5
133.01709	0.6
133.10083	0.9
137.02684	1.0
139.00641	0.8
141.02182	0.9
143.00159	1.1
145.01712	0.5
146.99590	1.3
151.00652	0.6
152.00269	0.5
153.02193	0.9
155.03780	1.7
157.01753	0.6
159.03258	0.8
161.01143	0.6
163.11197	0.6
165.02170	0.7
167.03748	0.6
169.01718	1.4
169.05319	1.4
171.03247	1.8
173.04874	2.4
181.05360	1.3
183.03281	1.0
185.04832	2.7
187.02757	0.5
187.06403	1.7
189.04388	1.1
191.03912	0.5
191.05826	0.8
195.06894	0.8
197.04897	0.8
197.08382	0.8
199.02650	0.6
199.06384	5.4
201.07846	0.5
203.05859	1.9
205.01691	0.7
205.05566	0.4
205.07420	2.4
207.06895	0.8
209.04797	0.5
210.02013	0.8
211.06352	1.2
213.08005	2.9
217.07422	3.6
219.08916	0.5
221.04803	0.5
221.08466	0.9
223.02693	1.3
223.06464	0.6
223.10254	2.4
225.04430	0.5
225.08089	2.5
227.05887	1.2
227.09427	1.1
229.07393	0.8
231.08946	2.1
235.10112	0.5
237.04402	0.8
237.07944	1.6
239.09526	2.8
241.07404	1.7
241.11055	3.1
243.09099	4.9
247.08417	0.6
249.08002	0.7
251.09593	2.5
253.07500	0.5
253.11111	2.2
255.09058	4.7
257.10489	2.2
259.08926	0.5
259.12271	0.7
261.10110	1.6
262.08749	1.1
263.09515	1.2
265.11127	1.0
269.10605	2.6
271.12286	0.8
273.09958	2.4
277.11044	3.5
279.09036	1.4
279.12640	1.5
280.09836	2.8
281.10547	2.6
287.11703	1.0
291.12766	0.8
295.12271	0.7
297.10135	0.9
297.13599	0.6
299.11652	5.5
303.16467	0.7
305.17960	0.6
313.14584	1.3
317.12717	1.5
319.15604	0.9
321.13580	0.5
322.13156	0.7
331.15796	58.6
349.16852	100.0
367.17917	44.9
372.18457	9.1
373.18576	0.5
390.19537	10.9
457.05365	0.5
573.30505	2.3
591.32001	29.6
605.74017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01875	8.1
55.05514	13.1
56.42168	2.1
57.03441	30.3
59.46878	2.2
61.02931	72.4
67.05511	18.1
69.03437	41.1
69.07066	5.9
70.06587	8.5
71.01355	9.8
71.04984	6.2
71.57151	2.9
73.02924	29.1
79.05499	22.0
81.03426	95.3
81.07074	19.7
83.01325	3.0
83.04990	10.5
83.08627	17.2
84.08125	3.6
85.02911	100.0
86.09686	4.2
87.04480	4.5
88.04017	2.2
91.03960	48.4
91.05485	22.9
93.07046	14.4
95.01369	3.8
95.04980	54.4
95.08624	7.5
97.02898	76.9
97.06536	4.9
97.10188	6.9
98.97610	6.6
99.04470	10.2
101.02394	9.0
103.03931	17.2
103.05472	5.6
105.07046	20.0
107.04974	15.5
107.08606	13.2
109.02894	19.7
109.06517	7.6
109.10139	3.3
111.04429	7.4
111.08083	6.6
115.04025	4.1
116.98659	2.2
117.05516	3.2
117.07020	6.8
119.04955	5.0
119.08566	11.3
121.02831	2.8
121.06527	9.2
121.10171	9.4
121.61739	2.3
123.04440	31.4
125.09676	3.5
127.03929	32.8
129.05525	3.0
129.07018	9.7
131.04884	14.2
131.08568	11.4
133.06502	7.5
133.10144	9.2
135.08041	4.3
135.11673	5.8
137.05980	8.6
138.12872	2.3
143.08578	4.9
145.04984	24.5
145.06450	4.0
145.10135	11.1
147.04416	19.3
147.08069	6.3
147.11685	8.8
149.06017	3.9
149.09610	5.3
151.07578	3.1
153.09106	5.1
157.10146	9.0
158.99774	3.7
159.06586	4.0
159.08083	4.3
161.06046	7.2
161.09598	2.6
161.13332	3.8
163.06012	3.9
163.11176	13.2
171.08080	2.2
171.11729	5.3
173.05975	5.1
173.09677	7.6
175.11198	9.7
177.00766	2.7
177.05473	3.2
179.07018	2.0
183.06494	5.0
187.07611	3.3
189.05499	6.1
189.12746	7.9
191.10655	2.8
193.12273	30.1
199.11319	2.9
201.07623	5.6
203.10674	2.7
207.13869	5.7
210.71190	2.1
211.09660	2.6
211.13304	26.6
213.12793	2.2
217.12277	6.8
223.13240	3.4
231.13905	4.4
235.13324	51.5
246.14832	2.3
247.13347	2.5
249.14796	13.5
253.14423	12.3
255.13699	3.3
257.04462	4.6
259.13354	16.6
263.12607	2.5
265.12030	2.6
267.15967	39.1
273.14847	25.9
277.14389	9.0
283.13266	6.3
285.17026	12.2
286.04709	4.2
289.14246	3.0
295.15198	2.9
301.14371	37.3
309.16986	40.7
315.16156	3.2
319.15405	12.4
324.11404	2.3
328.57858	2.4
333.16724	5.4
337.16531	8.1
343.15454	2.5
345.16656	3.1
346.25760	3.0
351.18045	11.1
357.16815	3.0
363.18045	6.6
375.18045	39.8
393.19113	29.1
396.23856	4.3
411.20117	25.4
415.06512	11.2
417.19113	5.4
429.20975	12.1
453.21103	5.0
474.53207	2.4
537.23132	3.2
590.71387	5.1
591.20447	16.6
591.27985	4.2
592.29382	7.9
610.19574	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	591.2604
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
63.95599	0.2
70.15273	0.4
70.15685	0.7
81.07103	0.3
92.76140	0.3
94.79591	0.2
98.20815	0.3
125.77219	0.2
126.71066	0.2
193.02969	0.2
350.79456	0.3
367.26245	0.2
388.17914	0.2
400.16916	0.3
401.17709	0.8
402.19205	0.3
403.19296	0.3
404.21152	0.3
413.17896	0.7
414.18274	0.7
415.19226	4.4
416.20117	2.0
417.21033	1.0
418.21829	0.3
419.22757	0.3
427.19571	0.5
428.20142	1.0
429.20920	6.4
430.21671	3.7
431.22574	1.8
433.23990	0.9
442.22101	0.3
443.22867	2.9
444.23724	6.0
445.24216	4.4
446.25015	0.6
448.26346	0.8
456.19101	0.3
457.19431	1.6
458.20251	0.7
458.25049	1.0
459.21078	1.8
459.25604	4.1
460.23553	0.5
461.23572	0.4
469.24146	0.3
470.21008	0.3
471.21982	0.5
472.22726	3.1
473.23486	5.2
474.24326	2.0
475.24875	1.0
476.22034	0.6
485.23764	1.6
486.24060	0.6
487.24969	21.5
488.25818	0.3
489.22766	1.9
490.23782	0.5
500.22098	0.4
503.25055	1.9
513.22980	0.3
515.24548	1.2
517.22278	0.8
518.23297	0.8
531.23956	15.3
532.24695	4.5
559.23529	0.5
563.26581	0.5
576.23370	0.4
591.26038	100.0
592.26123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79019	2.3
53.03918	3.5
55.05504	5.4
56.96557	3.0
57.03412	3.2
57.66220	2.4
61.02905	2.5
63.77479	2.6
67.05493	8.7
69.03419	3.3
69.07073	3.7
69.85068	12.9
71.04974	4.0
72.08156	4.1
77.00889	3.4
79.05478	5.4
81.03420	3.2
81.07076	15.5
83.08598	3.4
85.02887	10.9
85.70935	3.0
87.00785	3.5
87.04483	2.9
91.03964	2.9
91.05501	5.8
93.07050	9.6
95.08599	10.2
97.02884	3.8
97.10181	4.7
98.06053	4.5
98.21521	2.5
105.01859	4.0
105.07053	7.5
107.08611	6.8
109.10158	9.7
119.08562	9.1
121.10132	5.3
127.03896	2.8
129.15218	2.7
131.08517	3.8
133.10141	3.8
135.11682	4.3
140.10701	5.1
145.04997	3.0
145.10181	3.8
147.11705	4.3
149.09416	2.6
149.13248	6.1
155.05602	4.9
158.10617	2.8
158.11710	14.1
159.11639	3.1
163.14830	3.1
169.07133	2.9
170.07521	2.8
173.06595	3.7
187.08171	2.9
201.09729	3.5
217.10855	3.2
229.12854	5.4
235.11827	4.6
248.12148	4.7
265.12903	18.8
266.13138	23.4
271.24182	5.1
283.13809	14.1
284.14163	17.3
288.14536	5.0
332.20865	3.7
483.78894	2.9
509.25409	4.0
554.33990	8.8
590.35956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.2
55.05487	0.4
57.05469	0.3
63.39511	0.2
67.05489	0.6
69.03412	0.6
69.07048	0.5
70.06564	0.5
70.20646	0.7
70.21064	0.4
79.05459	0.6
81.02536	0.2
81.03389	0.8
81.07053	1.1
81.40447	0.3
83.04942	0.5
83.08612	0.4
84.08102	0.4
85.02890	0.9
86.09683	0.3
91.05450	0.3
93.07011	0.7
95.04974	0.6
95.08563	0.6
97.06497	0.9
98.09645	0.2
98.97562	0.5
105.07009	0.6
107.08606	0.6
109.06414	0.2
109.10154	0.6
113.21997	0.2
116.10685	0.5
116.98611	0.3
119.04903	0.4
119.08578	0.4
121.10136	0.3
123.04340	0.3
123.11678	0.4
127.03912	0.2
131.08575	0.3
135.11696	0.2
139.56165	0.2
147.04402	0.8
147.11592	0.4
152.14905	0.2
153.01779	1.0
184.07407	0.2
203.03363	0.3
226.14272	0.5
227.14899	0.4
229.04915	1.0
241.04422	0.3
244.15445	1.6
245.15755	1.0
257.04456	33.0
258.05234	3.8
259.09662	0.3
270.05298	0.5
285.03909	0.5
286.04721	13.1
287.05496	13.5
293.19669	0.2
297.07669	0.3
307.26389	0.5
312.18643	0.3
313.07178	0.3
325.06732	0.3
337.10544	0.3
383.11252	90.8
384.11609	0.6
415.13879	100.0
416.14114	0.9
559.14453	0.9
591.17206	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	589.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08674	0.7
51.10886	0.7
53.03937	2.8
53.18819	0.6
55.01873	4.2
55.05518	1.0
56.05034	1.1
57.03435	1.9
57.41643	0.7
61.02914	1.8
65.03947	0.9
66.91226	0.8
67.05485	1.6
68.99786	1.2
69.03433	13.4
69.04083	0.6
69.07048	1.3
70.06610	3.4
71.04990	2.5
71.57464	1.3
73.02908	2.6
79.05488	3.2
80.94656	0.8
81.03419	11.8
81.07069	4.0
83.04999	1.0
84.04521	0.7
84.07665	1.0
84.08141	5.2
85.02907	20.4
86.09727	1.8
87.00838	7.8
91.05485	5.8
93.07043	1.3
94.04176	3.8
95.04969	0.9
95.08602	0.9
97.02893	7.7
97.06532	2.5
98.97575	1.6
99.04453	3.7
103.05479	4.7
105.01886	5.3
105.07045	5.6
107.04960	1.6
107.08560	1.3
109.02888	11.1
109.06532	2.1
109.10163	1.5
115.03930	1.2
115.05454	3.4
117.01875	1.9
117.03374	1.2
117.07030	2.4
119.04913	1.4
119.08586	4.4
121.10151	1.5
122.03664	8.1
123.11749	1.0
127.03931	14.8
128.06233	2.7
129.06990	2.7
131.04941	8.5
132.05724	3.7
133.06502	2.4
135.08131	0.7
137.05988	100.0
141.06984	0.9
145.02863	3.7
145.04962	5.1
145.06506	1.0
146.03587	1.5
147.04433	5.7
147.08061	4.3
149.05994	1.6
151.07591	1.5
151.13585	0.7
153.01836	0.9
159.02869	5.5
159.08095	2.0
160.05199	2.2
161.05974	11.9
163.03928	1.1
163.07553	15.4
167.07074	1.1
171.08044	1.4
175.07556	58.0
177.05484	3.2
184.05247	2.3
186.06789	1.5
187.07567	5.7
189.07048	0.9
189.08997	1.1
191.08626	2.7
199.07555	15.8
201.09175	2.1
202.07719	3.8
203.08508	8.5
205.06490	0.9
213.03812	0.9
215.07008	1.3
217.08575	1.1
218.07378	1.8
219.08026	5.6
220.08867	2.9
221.09477	1.0
230.07272	1.1
231.05099	1.9
231.08078	12.8
232.08913	2.6
235.07642	1.2
237.09241	1.0
243.08151	1.0
247.07587	2.5
248.08354	5.9
251.10750	4.2
259.07501	8.4
259.09714	0.8
260.08435	2.8
261.09335	1.4
262.09842	0.9
263.07306	0.9
263.10629	7.0
264.07733	1.0
265.08740	1.2
271.09726	1.0
275.07031	1.1
276.07797	3.5
277.08694	4.9
279.10193	2.9
281.08267	0.9
287.23889	1.0
291.10156	17.2
292.10812	4.2
293.08133	3.0
293.11401	0.8
295.13245	1.6
304.11218	0.8
305.24951	1.2
308.10355	3.5
311.12772	8.8
323.12787	34.2
325.14288	5.6
327.26355	2.2
333.11368	0.8
335.12851	1.7
337.07126	1.2
341.13788	2.2
353.13712	1.1
365.14008	0.9
369.27634	1.4
413.12381	2.5
511.28180	1.1
529.29565	1.1
571.30457	1.5
589.23657	1.8
589.31451	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	588.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97774	0.4
55.05492	0.4
60.07887	0.4
60.08169	5.7
60.08485	0.6
67.05492	1.0
70.06571	0.4
70.45881	1.2
71.07369	2.5
79.05461	0.4
81.07043	0.8
83.08608	0.4
85.88087	0.4
86.09707	27.2
91.05470	0.6
93.06999	0.4
95.08578	0.6
97.02877	0.6
98.98464	2.3
104.10743	3.0
105.41659	0.3
108.82277	0.4
119.08576	0.8
125.00003	17.2
182.05635	0.3
184.07341	100.0
202.14720	0.4
218.81525	0.4
346.48157	0.4
570.35590	0.9
588.28668	0.4
588.36743	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	588.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.8
55.05510	22.0
56.23576	5.6
57.07084	8.7
60.30461	5.6
67.05513	32.0
69.07079	41.9
69.53824	12.3
69.54243	21.9
71.05013	8.8
78.19499	5.0
79.05506	36.2
81.03423	11.3
81.07063	39.2
83.04994	5.7
83.08611	12.3
91.05491	27.9
93.07050	44.1
95.04978	16.0
95.08605	23.2
97.06549	5.7
97.10151	5.5
99.08089	6.3
103.07060	5.2
105.07042	24.4
107.04955	20.5
107.08598	20.2
109.10188	17.2
117.06998	6.9
119.08604	20.6
121.10140	23.7
124.92281	5.1
131.08589	10.5
133.10176	21.0
135.08052	17.1
135.11658	6.1
139.86626	5.1
145.10130	14.3
147.11736	9.5
149.09630	8.7
151.11240	6.1
190.05779	5.8
203.12778	7.2
237.14854	15.5
239.18187	5.6
249.01245	5.4
275.17111	4.2
275.20074	100.0
277.21494	11.1
278.21948	7.0
293.21152	63.6
293.37244	5.0
319.44098	5.8
371.49838	5.8
546.78973	6.1
588.47278	33.1
604.18610	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	588.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05503	11.1
57.07079	3.7
62.38219	2.4
67.05511	37.7
69.06724	3.0
69.07072	35.8
69.64465	16.4
71.04972	3.6
73.02927	2.9
79.05492	19.2
81.03402	4.0
81.07063	60.1
83.08635	13.3
85.02900	11.3
85.06561	4.9
87.00808	4.3
91.05470	23.3
93.06488	3.1
93.07050	55.0
95.08607	66.4
97.02872	4.8
97.10146	4.8
97.16978	2.4
100.75176	2.3
105.01876	14.3
105.07041	84.9
105.45618	2.4
107.08602	55.1
108.83438	2.4
109.02869	3.7
109.09466	4.6
109.10165	81.9
111.40718	2.5
113.09636	9.9
115.62672	2.2
117.07087	3.4
118.16627	2.1
119.08582	59.5
119.24123	2.8
121.10146	43.0
123.11703	25.8
127.03924	6.4
131.08572	8.6
133.10152	33.4
135.11688	43.6
137.13258	8.2
139.75398	2.8
145.10130	10.7
147.11703	48.3
149.13197	6.6
157.10155	5.6
157.28676	2.6
159.11703	9.7
161.13268	67.0
173.13202	3.5
175.14778	14.1
189.16391	4.9
201.16357	6.5
205.15817	3.8
213.16299	4.2
217.19508	100.0
249.06007	7.9
269.22641	5.2
289.93213	2.4
552.71600	3.1
588.27747	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	588.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64225	1.3
55.01861	1.7
67.05511	1.5
69.03432	5.5
69.23108	11.1
69.23515	2.2
70.06594	5.3
72.08152	3.2
72.86189	1.4
79.05493	6.2
81.03424	3.0
84.08135	1.7
85.02919	7.3
86.09709	3.7
91.05453	8.6
95.05012	1.6
97.02918	2.9
97.06535	2.2
98.97596	2.0
103.05458	18.0
105.07044	21.1
107.04958	3.7
109.02843	1.8
109.06528	3.2
115.05428	3.2
117.07032	1.4
118.04190	7.5
119.04934	8.3
121.06467	2.3
122.03649	2.0
122.07269	1.9
123.04475	1.9
123.08022	2.4
127.03880	3.5
131.04930	37.6
132.05679	2.1
133.06499	25.2
135.04391	2.0
135.08081	6.8
137.05991	43.3
137.07042	2.4
147.04414	10.3
148.05173	2.2
149.05997	5.1
150.06760	15.1
151.07545	9.7
152.08324	3.7
161.06004	5.8
163.07549	55.2
165.09138	18.1
167.07056	11.1
175.07571	3.9
178.06268	2.3
179.07051	9.6
181.08586	2.4
193.08615	81.0
203.07123	2.2
211.09656	100.0
213.11191	3.4
215.13992	1.4
228.13760	1.7
229.14476	2.1
237.14346	1.8
246.14890	8.2
246.65187	2.0
274.10748	1.8
285.38980	1.6
341.13843	9.9
373.16318	4.0
375.18149	2.1
378.09674	3.0
559.86072	1.6
613.80518	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.9
57.07076	4.4
60.04504	5.1
61.02922	2.8
67.05174	3.8
67.05505	47.1
69.03427	7.2
69.07069	38.1
70.06582	2.7
70.10497	9.0
71.04994	12.6
79.05496	18.0
80.05029	3.4
81.03419	5.8
81.07061	70.8
83.04966	2.6
83.08631	15.7
83.09033	2.6
85.02888	10.1
85.06568	5.5
86.09698	3.3
87.00835	3.4
91.04973	2.8
91.05486	33.1
93.07044	96.8
94.06595	2.3
95.04984	4.1
95.08610	90.6
97.02865	6.6
97.06517	2.2
97.10162	7.2
102.63065	2.4
103.05447	3.6
105.01855	6.8
105.07036	95.0
106.75656	2.2
107.08601	60.0
109.10159	100.0
111.08096	3.2
113.09651	43.5
117.07008	6.7
119.08582	77.7
121.10138	44.4
123.11715	25.2
127.03932	7.3
129.07045	2.8
131.08574	16.0
133.10130	43.1
135.11702	39.8
137.09621	15.3
137.13231	8.8
142.30530	2.6
143.08559	6.1
144.09401	2.7
145.10130	29.6
147.04434	3.4
147.11690	53.1
149.13252	8.6
150.12865	2.7
156.09343	2.7
157.10132	10.3
159.11736	12.8
161.13252	69.0
171.11650	3.1
173.13277	3.9
175.14810	15.0
177.12665	3.1
185.13269	2.9
187.14813	16.8
189.16393	7.5
201.16342	6.3
204.13829	2.6
205.15887	34.0
213.16388	4.7
217.19527	97.5
231.04918	3.1
246.50156	2.6
249.06018	2.4
269.22650	12.5
280.00391	2.4
290.21075	3.3
297.50424	2.3
311.00342	2.4
394.04810	2.7
408.27402	10.1
426.28918	3.6
505.03220	2.5
570.35284	4.9
588.20984	9.8
588.30084	11.4
588.37061	20.1
599.39685	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	587.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
67.05500	3.3
69.07066	2.0
70.00258	4.0
70.44105	0.7
77.24512	0.8
79.05505	3.1
81.03383	0.8
81.07058	3.3
83.08607	0.9
91.05479	2.6
93.07047	4.0
94.33090	0.8
95.04967	1.2
95.08615	2.8
97.10069	0.7
105.07022	3.3
107.08591	2.2
109.10172	1.3
117.07026	0.8
119.08596	2.4
120.57663	0.7
121.10152	2.3
126.76128	0.7
131.08621	2.4
133.10121	2.2
135.11711	0.8
145.10164	0.9
146.53110	0.8
170.64246	0.8
197.81189	0.8
235.13037	0.7
253.14162	2.8
269.13605	1.5
275.20062	2.7
277.14127	1.5
277.21652	1.8
281.13663	8.9
283.04913	0.8
291.23593	0.8
293.21109	1.3
297.13098	100.0
313.21497	0.8
335.58401	0.8
345.20340	1.3
587.35443	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	587.304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39178	0.2
53.03955	0.2
55.01876	0.3
55.05516	0.7
56.32375	0.2
56.96559	0.5
57.03424	0.5
59.20512	0.2
61.02931	0.4
66.65173	0.2
67.05496	0.6
68.78497	0.2
69.03418	1.1
69.07060	0.5
70.06584	1.0
71.57178	0.3
72.08146	0.4
79.05491	1.1
81.03428	1.2
81.07041	1.2
82.22016	0.2
83.08612	0.3
84.08159	0.3
85.02901	1.0
86.09706	0.6
91.05489	1.5
93.07044	1.2
95.04970	0.4
95.08610	0.6
97.02882	0.5
97.06547	1.0
99.04462	0.3
105.07040	0.8
107.08598	0.4
108.08137	0.2
109.02843	0.3
109.10200	0.3
111.08133	0.2
117.07034	0.4
119.04905	0.3
119.08587	0.3
121.10168	0.6
127.03925	0.5
133.10133	0.4
143.08620	0.4
145.10118	0.5
146.50859	0.3
147.04459	1.7
147.07973	0.2
159.08173	0.2
159.11707	0.3
161.05994	0.3
163.03851	0.6
171.11647	0.3
173.02390	0.3
185.04262	1.0
201.03703	0.3
215.07037	0.3
259.07806	0.4
275.07520	0.3
276.84598	0.2
306.75760	0.3
327.26443	0.4
331.09854	1.2
351.20563	0.3
361.19931	0.3
405.31348	0.3
407.20816	0.3
425.25375	2.2
431.18948	1.2
489.23041	0.5
517.22357	1.0
543.31622	0.3
569.28168	0.3
569.35931	1.0
587.30292	100.0
588.30927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3041
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
51.47044	0.3
55.05506	0.5
67.05499	0.9
69.07072	0.4
69.88813	0.3
70.06585	0.6
70.53762	0.9
70.54115	0.3
72.42092	0.3
79.05483	0.3
81.07050	0.8
84.08108	0.3
85.02901	0.8
89.06033	0.3
91.05441	0.5
93.07037	0.7
95.01174	0.3
95.08593	0.4
97.02896	0.6
97.06541	0.8
105.07046	0.6
107.08588	0.7
109.10121	0.6
118.61713	0.3
119.04930	0.3
119.08598	0.4
121.10127	0.5
138.23212	0.3
145.10175	0.3
147.04433	1.6
158.08174	0.3
172.90947	0.3
185.04312	0.8
201.03703	0.6
203.05287	1.2
259.07840	1.9
327.26480	0.4
331.10147	0.9
351.21555	0.5
373.14307	0.4
425.25137	2.1
431.18616	1.5
471.22095	0.4
489.23099	0.6
517.22400	0.9
569.20264	0.4
569.35815	0.7
577.89880	0.4
586.90942	1.9
587.30304	100.0
588.30853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.08369	0.9
55.01871	2.8
55.05509	14.5
57.03437	1.7
57.07071	2.0
59.04988	1.4
65.03923	1.2
67.05173	2.0
67.05502	21.1
69.03420	1.8
69.07066	23.7
69.53176	2.5
69.53595	4.8
71.04983	3.9
74.80104	1.0
79.05061	2.2
79.05494	29.8
81.03411	4.2
81.07055	28.8
83.04976	5.6
83.08627	7.2
85.06528	1.5
89.06036	2.4
91.05478	23.3
93.07048	33.8
95.04958	12.8
95.08609	22.9
97.06530	5.9
97.10168	5.5
105.04552	1.0
105.07029	28.1
106.07375	1.4
107.04956	18.2
107.08584	19.8
109.06540	6.5
109.10141	7.9
111.08059	2.3
115.05363	1.2
117.07027	8.4
119.08578	22.6
120.08907	1.6
121.06502	3.6
121.10139	16.5
123.08077	3.4
123.11646	1.7
125.09617	1.1
129.07018	3.6
130.07747	1.3
131.08568	13.1
133.06496	1.7
133.08607	1.8
133.10136	18.3
135.08066	13.5
135.11684	4.6
137.09616	3.2
139.11183	6.5
143.08582	4.2
145.10123	12.7
146.10454	1.6
147.11714	9.6
149.09586	7.4
149.13280	1.3
151.11157	3.5
155.08604	2.2
157.10168	3.8
157.35483	0.9
159.11736	6.3
161.09605	1.9
161.13217	2.9
163.11137	5.7
165.09081	1.2
165.12701	1.3
167.10646	1.2
169.10118	4.2
171.11682	3.4
173.09656	2.8
173.11862	1.2
173.13274	3.7
175.11198	1.7
175.14880	1.7
179.10773	1.3
183.11743	2.8
183.13895	1.7
187.11172	1.1
187.14862	1.8
191.10632	1.3
191.14278	1.7
195.11681	1.5
197.13274	1.9
201.12782	2.4
201.14680	1.2
203.12781	9.4
207.13849	1.4
219.13896	2.0
223.13289	3.4
223.16960	1.5
229.19521	1.6
237.14932	3.9
239.18011	2.3
247.20547	2.7
257.19000	9.2
275.20056	100.0
289.17975	4.5
293.21109	44.4
295.11499	1.2
307.18924	2.5
567.40485	1.7
585.37207	1.5
585.45020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2674
Annotation	kirkinine D
Peak:m/z	Relative Intensity
56.96573	3.1
65.72149	0.4
69.03383	0.4
69.07054	0.4
71.21288	0.8
80.42186	0.4
80.79651	0.3
81.07044	0.5
85.02888	0.5
91.05463	0.4
97.06554	0.6
98.87373	0.4
98.97585	2.2
100.99168	0.5
109.10143	0.6
112.99133	1.7
116.98632	1.0
119.08624	0.5
124.38857	0.4
131.00185	3.1
143.00163	0.8
149.01219	3.3
158.99644	0.9
167.02327	0.4
173.01276	0.5
177.00728	0.8
191.02321	0.9
199.02760	0.6
199.06563	0.5
203.02328	0.4
211.08769	1.1
212.09515	0.5
213.10229	0.5
215.15413	0.8
217.03813	0.4
225.10182	0.6
226.11014	2.5
227.11652	0.5
230.86060	0.4
240.08942	0.7
241.13377	16.7
251.09589	1.5
251.11942	0.8
255.09070	0.8
267.08969	0.5
269.10596	4.2
269.12982	4.8
275.04443	0.6
285.10287	0.4
287.11804	0.9
290.36581	0.4
293.05463	3.9
311.06583	1.6
311.11777	1.5
315.13492	0.7
331.15848	0.4
349.16956	1.6
365.02826	0.7
367.17828	1.1
380.05026	0.6
483.21942	0.4
487.19025	2.1
490.81876	0.4
523.35956	0.4
557.27728	6.5
585.26746	100.0
586.27319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01877	1.9
55.05518	16.4
57.07075	7.2
63.14024	1.2
67.05507	34.5
69.07069	16.4
69.19673	2.7
69.20077	12.0
71.08611	4.8
73.06545	1.7
79.05497	48.5
81.03391	2.3
81.07062	35.2
83.04980	4.0
83.08625	8.4
83.47420	1.3
83.65958	1.2
85.06533	3.2
85.10192	1.7
89.06039	22.2
91.04905	1.6
91.05481	29.6
93.07050	73.3
95.04976	8.1
95.08614	25.9
97.06523	2.3
97.10146	5.0
105.06386	2.5
105.07040	24.7
107.08601	36.1
109.06525	4.2
109.10161	13.6
111.08028	2.0
117.07024	6.4
119.08592	18.4
121.10149	43.5
123.08066	3.4
123.11678	4.5
125.09646	2.2
125.56760	1.5
129.07004	4.0
131.08586	11.5
133.08626	13.0
133.10147	22.7
135.08066	2.6
135.10681	2.6
135.11684	35.3
137.09607	4.2
139.11177	1.5
143.08559	5.7
145.10112	11.2
147.11678	12.8
149.09615	5.1
149.13272	19.4
153.12860	1.4
155.08543	1.9
155.10619	1.9
156.09334	1.9
157.10114	8.3
158.10773	1.3
159.11681	10.4
161.09624	1.6
161.13251	5.3
163.11174	3.0
163.14799	7.5
169.10184	2.9
171.11679	4.6
173.11870	1.8
173.13248	5.8
175.11211	2.2
175.14845	5.1
177.11198	4.7
177.12613	3.5
181.12260	1.6
183.11731	2.2
185.13275	4.3
187.11172	1.7
187.14754	1.9
189.12814	1.9
193.09933	1.9
193.12277	3.1
193.15866	1.6
194.10733	1.2
195.11816	2.4
195.13979	2.0
199.14856	3.4
203.14336	1.9
207.13795	1.5
213.16292	2.7
217.19531	2.0
221.15399	2.1
225.14757	2.6
227.12750	1.7
231.21098	1.7
241.19501	5.2
249.18523	1.7
252.71483	1.4
259.20624	8.6
270.92776	1.4
275.20050	3.4
277.21518	1.8
291.23199	100.0
311.29492	3.2
371.22955	7.0
584.42230	2.5
584.55811	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	584.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
54.42777	1.0
55.01861	1.9
55.05500	3.1
56.05025	3.2
56.96558	1.2
57.03418	1.6
60.04513	1.6
61.02934	7.9
65.03941	0.9
67.05495	4.4
68.05013	1.6
69.03075	1.8
69.03431	24.0
69.07063	3.0
69.50933	5.5
69.51350	1.7
69.52790	1.0
70.06592	17.1
70.09724	1.0
71.04982	1.9
71.45264	1.0
72.04533	6.2
72.08138	1.0
73.02914	6.6
79.05491	2.8
80.05036	1.3
81.03407	3.3
81.07061	4.1
82.06580	5.3
84.04503	4.0
84.08148	12.5
85.02905	10.4
86.06068	16.6
86.09721	1.4
87.04475	30.9
87.08069	1.2
91.03949	4.7
91.05481	19.3
93.07039	4.1
93.80701	1.1
94.06571	3.0
95.04974	1.9
95.08607	2.3
96.04519	1.4
96.08150	3.7
97.02902	6.4
97.06533	4.0
97.10186	1.5
98.06062	34.1
98.97588	2.0
99.04459	1.5
102.05551	4.0
103.03965	1.0
104.07115	3.9
107.08611	1.3
109.10162	1.8
110.07212	1.7
112.07610	42.1
114.05528	1.6
116.07089	19.2
119.04964	3.2
119.08597	4.3
119.43464	0.9
123.08051	1.5
124.07613	5.5
126.05527	29.1
127.03912	2.8
130.08636	8.5
132.06566	1.9
136.06184	1.2
136.07585	2.3
137.02396	1.7
137.09625	3.9
138.09215	1.4
139.69012	1.0
140.07066	7.5
141.07903	1.4
142.08638	5.6
144.06567	23.7
147.04408	13.1
147.08049	3.1
148.04796	2.5
149.09637	4.4
152.07040	2.7
155.03413	1.6
156.10197	3.2
158.08145	32.0
163.11124	1.4
165.09140	1.4
188.09181	10.1
192.91982	1.1
200.12769	5.8
212.39809	1.0
218.56105	1.3
219.01836	1.1
222.14934	3.5
224.16335	1.3
228.15929	1.5
232.13293	1.8
250.14403	1.8
252.15929	1.8
270.17166	1.7
288.17963	2.3
308.00989	1.2
314.19543	1.3
316.17236	1.6
332.20566	5.4
342.19226	4.2
343.20004	4.9
344.20905	1.4
360.20181	6.2
361.20975	3.8
362.21527	1.6
364.26828	2.3
378.21222	21.1
386.21774	3.7
404.22504	5.0
422.23843	47.5
425.13013	2.4
441.10934	1.4
488.64948	1.0
494.25787	2.6
523.26154	1.3
535.41687	1.1
540.26575	18.0
566.28577	4.6
584.29071	100.0
585.29651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01872	6.2
55.05513	35.6
55.63390	1.1
57.03432	1.9
57.07059	2.4
59.04986	2.4
65.03941	3.0
67.05508	43.9
67.05871	2.2
69.03421	3.1
69.07070	32.3
69.56011	4.2
69.56436	4.3
69.66278	1.2
70.68494	1.3
71.04995	2.9
71.08615	1.6
73.06524	1.4
76.01949	1.2
78.48882	1.2
79.05493	47.1
81.03410	4.3
81.07059	47.0
83.04982	7.3
83.08625	23.7
85.06542	4.0
91.05485	47.8
93.07044	59.1
95.04967	20.7
95.08607	34.7
97.06538	9.7
97.10175	9.2
103.05518	1.5
105.07033	59.9
107.04950	15.2
107.08597	33.8
109.06535	6.7
109.10168	16.3
111.08100	6.9
111.11701	2.1
115.05440	3.0
117.07028	19.6
119.04952	1.3
119.08590	45.9
121.06490	5.7
121.10148	39.7
123.08105	6.3
123.11704	4.8
125.09643	5.1
128.06232	3.4
129.07018	7.7
130.07755	2.6
131.08568	27.9
133.06500	2.1
133.10135	37.9
135.08052	14.2
135.11693	10.9
137.09607	5.6
139.11183	13.8
141.06999	3.9
142.07744	4.6
143.08569	16.3
144.09274	1.6
145.06468	1.3
145.10117	33.7
147.08057	3.7
147.11703	19.6
149.09630	21.3
149.13249	4.9
151.11172	4.0
155.08531	6.5
156.09346	3.0
157.10136	13.1
158.10817	1.4
159.08029	1.8
159.11693	18.1
161.09752	2.6
161.13257	8.9
163.11182	16.6
163.14795	2.5
165.12775	3.3
167.08469	2.0
167.10693	1.7
167.14247	1.5
169.10127	10.1
170.10779	2.2
171.11699	11.3
173.09578	3.9
173.13266	12.6
175.11171	3.5
175.14798	3.7
177.12755	2.8
179.08440	2.2
181.10112	3.0
181.12308	1.9
183.11632	9.3
185.13292	6.7
187.11166	3.7
187.14832	4.5
189.12721	2.9
189.16429	1.2
191.14328	2.0
195.11671	4.1
195.13765	2.4
196.12462	2.0
197.13278	9.3
198.13914	1.6
199.14832	4.3
201.12767	2.3
201.16394	3.0
203.12706	2.3
203.14378	1.9
205.10272	1.9
205.12248	3.5
205.15967	1.5
207.13812	2.7
209.13194	4.0
211.14964	2.5
213.16414	3.2
217.14328	10.9
219.13713	2.6
221.15385	3.2
223.14822	3.5
227.14153	1.7
229.19456	3.5
237.14809	4.5
239.17941	9.4
241.19551	3.4
247.20532	3.3
257.18979	12.0
259.20593	8.1
273.18558	2.0
275.20078	100.0
276.20737	3.7
277.21716	6.8
289.21713	2.7
297.22137	1.6
301.21594	4.5
307.22693	24.9
352.23621	3.7
353.24261	3.7
367.29999	3.4
369.27936	4.0
383.28906	1.7
407.29361	2.0
423.32111	1.6
445.30347	2.9
455.35178	4.7
457.33054	1.6
491.35138	5.8
551.40686	2.0
565.42780	6.9
583.42676	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
54.24948	3.4
54.64775	3.1
55.05502	17.9
57.07066	11.8
65.03940	7.0
66.04355	3.0
67.05507	32.1
69.03426	9.4
69.07072	19.6
71.21778	6.7
79.05495	33.2
81.07056	41.4
83.04955	9.8
83.08606	9.8
85.06539	6.3
91.04963	5.3
91.05486	60.8
93.07044	67.2
95.04952	11.8
95.08612	47.5
97.06539	3.7
103.05460	5.4
105.07038	92.8
107.08598	59.2
109.06536	10.7
109.10162	30.8
111.08064	3.9
111.11610	3.3
115.05452	9.7
117.07025	21.2
119.08585	100.0
121.06506	7.0
121.10148	54.9
123.08067	13.2
123.11700	5.0
125.06017	4.8
125.09644	3.6
128.06218	11.6
129.07002	19.1
130.07820	8.0
131.08572	43.5
133.10132	47.3
135.08067	10.2
135.11696	21.0
135.20752	2.9
137.09676	14.3
141.06978	13.3
142.07797	30.1
143.08572	54.1
144.09320	9.0
145.10127	61.6
147.08009	14.7
147.11687	21.7
149.09605	9.7
149.13239	9.8
151.07549	13.5
151.11169	4.0
153.06985	6.1
154.07735	6.0
155.01059	4.0
155.08511	21.8
156.09338	27.3
157.10133	64.0
158.10928	9.1
159.08092	7.0
159.11674	31.0
161.09595	9.8
161.13255	10.4
163.11197	10.0
165.06958	9.8
165.09149	35.0
166.07800	3.7
167.08607	16.4
167.10704	17.4
168.09312	13.0
169.10135	35.0
170.10912	10.1
171.11674	32.9
172.08916	3.2
173.09613	4.4
173.13268	30.7
175.14809	12.5
179.08539	18.9
180.09328	9.2
181.10117	16.7
181.12199	10.2
182.10896	8.6
183.11700	32.3
184.12460	7.3
185.13284	18.7
187.11014	4.4
187.14809	12.4
189.12717	6.3
191.08662	4.3
191.14320	8.9
191.64334	3.4
192.09421	7.0
193.10168	19.9
194.10867	13.7
195.11731	24.4
196.12498	6.3
197.13239	22.5
199.14903	15.5
201.16370	6.2
203.14351	11.0
205.10175	5.8
206.10835	9.5
207.11697	18.5
207.13620	5.4
208.12457	9.4
209.13272	34.4
210.14021	5.1
211.14815	12.8
213.16307	7.3
217.10046	4.3
217.15915	9.6
219.11673	8.9
220.12495	8.8
221.13240	19.9
221.15375	60.8
222.13994	3.0
223.14841	17.0
225.16414	10.6
229.15765	3.7
231.11649	9.6
233.13249	11.2
233.15239	6.2
234.13992	5.3
235.14810	13.1
237.16423	7.1
239.17924	5.2
241.15822	3.5
245.13237	9.6
246.13992	7.8
247.14662	9.5
247.17093	3.7
249.16373	12.5
251.17969	4.8
257.19003	12.7
259.14767	6.8
260.15652	4.3
261.16409	12.7
263.17941	8.2
265.19440	7.5
271.14777	3.3
271.20642	3.4
273.16290	5.0
275.17975	10.5
283.20663	17.6
287.17676	4.0
289.19598	4.3
295.15125	4.1
295.20511	4.5
315.21094	4.1
331.24265	5.6
349.25543	7.3
375.26877	6.3
473.33755	3.7
491.35019	7.8
503.34909	4.1
565.40405	19.2
583.41583	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03949	3.2
55.05515	12.1
57.07078	7.9
59.05006	2.5
65.03941	4.1
67.05507	19.3
69.03423	4.0
69.07071	13.8
69.26943	7.9
69.27370	3.6
71.04981	1.3
77.03893	1.2
79.05498	19.5
81.07065	24.3
82.68613	1.3
83.04986	6.0
83.08648	6.9
85.06536	3.9
91.05487	35.1
93.07047	43.9
95.04984	5.8
95.08612	28.9
97.06522	6.2
97.10132	1.5
98.21462	2.0
103.05476	3.2
105.04575	1.5
105.07033	55.9
107.04996	1.6
107.08598	39.6
109.06524	7.6
109.10162	15.1
111.08117	3.4
111.60023	1.4
115.05389	2.9
116.06287	1.4
117.07022	11.9
119.06119	1.4
119.08588	57.6
121.06536	4.2
121.10149	48.6
123.08078	14.7
123.11726	6.0
125.05971	1.5
125.09654	2.7
128.06207	8.4
129.07011	13.4
130.07797	5.0
131.08577	26.4
133.06578	3.0
133.10132	31.4
134.49777	1.2
135.08081	4.9
135.11678	10.8
137.09613	6.9
139.11212	4.1
141.07021	6.9
142.07784	16.1
143.08562	32.1
144.09329	6.3
145.06378	1.3
145.10130	41.1
147.08078	9.6
147.11678	13.5
149.09633	7.4
149.13269	4.0
151.07549	12.8
151.11186	1.4
153.07053	3.8
154.07808	3.2
155.08572	12.8
155.10640	1.6
156.09348	11.1
157.10146	40.6
158.10933	4.6
159.08087	4.8
159.11693	21.2
161.09641	4.6
161.13272	7.1
163.11229	4.6
165.07008	5.8
165.09102	12.4
166.07750	3.1
167.08603	6.5
167.10672	29.3
168.09384	4.9
169.10120	19.3
170.10951	5.8
171.11696	22.7
173.09636	2.6
173.13283	16.8
175.11192	3.7
175.14815	8.0
178.07744	1.7
179.08553	12.4
180.09337	6.6
181.10135	13.2
181.12265	5.3
182.11002	5.7
183.11700	20.6
184.12489	4.5
185.09697	2.5
185.13264	15.3
187.11201	2.9
187.14839	6.7
189.12708	6.5
191.14377	6.0
192.09392	3.5
193.10162	12.1
194.10905	8.9
195.11685	19.1
196.12543	4.2
197.09627	1.5
197.13263	18.0
199.11206	1.8
199.14793	9.2
201.12779	1.6
201.16431	2.8
203.14340	5.3
205.10133	4.5
206.10910	5.0
207.11720	13.6
207.13855	6.8
208.12480	5.3
209.13298	18.9
209.15231	1.4
210.14091	4.1
211.11356	1.9
211.14890	9.6
213.12782	1.5
213.16409	4.3
215.14346	4.3
217.10204	2.0
217.15948	5.5
218.11047	2.2
219.11702	5.8
220.12505	4.4
221.13271	10.8
221.15440	26.8
222.14069	3.9
223.14836	12.1
225.12801	1.5
225.16437	6.7
229.10123	1.6
229.15880	2.9
231.11760	3.8
231.17426	2.9
232.12489	4.3
233.13251	7.5
233.15448	10.2
234.14108	3.2
235.14804	10.0
236.15623	2.3
237.12894	1.8
237.16269	6.7
239.17928	1.9
241.15901	2.4
241.19635	1.8
243.11707	2.4
243.17593	1.8
245.13298	4.6
246.14162	3.3
247.14708	6.2
248.15698	2.2
249.16399	6.9
251.14240	1.5
251.18076	5.0
253.19600	2.2
255.17416	1.7
257.19083	4.7
258.14017	2.0
259.14865	4.7
260.15564	2.8
261.16406	6.3
263.18054	6.4
265.15762	2.3
265.19632	5.2
269.13101	1.7
269.19116	5.6
271.14703	1.7
271.20636	2.3
272.15411	2.7
273.16290	2.8
274.17166	2.1
275.17932	8.5
277.19617	5.1
279.17413	1.5
279.20996	1.5
281.13599	1.6
281.19171	1.7
283.20609	10.1
287.17783	3.2
289.19580	3.9
293.18866	1.8
295.20673	3.5
297.16306	1.5
297.22296	1.8
299.20474	1.6
301.19321	2.3
303.21027	2.0
307.20557	1.9
315.21024	1.9
321.22266	1.9
326.20419	1.5
331.24304	3.3
333.21921	1.9
335.23526	2.9
341.23517	1.3
343.24374	2.2
347.23532	1.6
349.25366	5.5
357.25839	2.2
361.25305	2.4
365.25058	1.6
375.26715	4.0
403.30133	3.4
491.35059	4.3
509.34415	1.7
521.35272	1.6
547.39056	4.5
565.40485	23.6
583.41461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01872	1.1
55.05292	1.3
55.05512	11.8
57.07076	9.3
59.04998	3.4
65.03934	4.5
67.05508	18.9
69.03426	6.2
69.07068	13.8
70.03342	4.9
71.04984	1.9
79.05492	19.7
81.03403	1.3
81.07065	25.0
83.04979	5.3
83.08617	6.0
85.06548	4.0
89.06032	1.2
91.05482	33.7
93.06467	2.4
93.07048	42.1
95.04956	6.2
95.08608	30.9
97.06512	4.0
98.65888	1.1
103.05450	2.6
105.04507	1.8
105.07034	56.7
107.04995	1.3
107.08593	32.7
109.06537	7.8
109.10164	17.4
111.08073	2.7
115.05460	4.5
116.06216	1.3
117.07038	12.0
119.08585	57.5
121.06522	4.9
121.10145	33.8
123.08071	15.6
123.11707	6.3
125.05922	1.3
125.09645	1.7
128.06232	9.7
129.06989	13.8
130.07794	5.1
131.08582	29.3
133.06500	1.9
133.10141	28.5
135.08070	8.1
135.11678	8.4
137.06015	1.3
137.09625	9.6
139.11171	2.3
141.06990	6.9
142.07780	16.2
143.08566	29.9
144.09351	6.2
145.06531	1.3
145.10132	40.7
147.08051	16.9
147.11699	10.4
149.09656	5.2
149.13297	2.0
151.07561	12.2
151.11223	1.4
153.06981	2.3
154.07834	3.6
155.08556	14.2
156.09343	15.8
157.10146	42.1
158.10934	4.9
159.08058	4.5
159.11696	18.9
161.09523	5.7
161.13281	5.3
163.11208	6.4
165.06984	4.1
165.07642	1.4
165.09120	29.6
166.07813	1.7
167.08623	6.4
167.10634	6.5
168.09349	6.2
169.10130	20.5
170.10947	6.9
171.08055	1.3
171.11691	24.0
172.12558	1.5
173.09557	2.1
173.13274	17.0
175.11284	3.0
175.14871	7.4
177.09193	2.2
177.12804	1.9
178.07791	2.0
179.08543	9.8
180.09364	4.5
181.10130	12.9
181.12251	3.4
182.10895	7.4
183.11676	23.3
184.12477	2.7
185.04849	1.6
185.09630	2.3
185.13257	16.0
187.11256	2.8
187.14864	6.3
189.12796	5.2
191.08591	2.6
191.14236	6.4
192.09343	4.3
193.10117	11.7
194.10907	9.5
195.11690	17.4
196.12459	4.5
197.09483	1.5
197.13269	18.0
199.11089	1.2
199.14795	9.4
201.16479	2.1
203.14322	10.5
205.10190	4.0
206.10884	6.9
207.11719	13.7
207.13821	4.3
208.12547	6.0
209.13254	18.5
209.15114	2.4
209.28355	1.2
210.14110	3.7
211.11205	1.7
211.14832	10.2
213.12778	1.6
213.16478	3.2
215.14339	3.7
215.17790	1.5
217.10271	1.9
217.15886	6.8
218.11052	1.4
219.11736	4.8
220.12524	6.2
221.13269	13.0
221.15421	50.3
222.13989	2.8
223.14825	14.5
225.12936	2.1
225.16386	6.3
229.10097	1.4
231.11725	3.8
231.17455	1.9
232.12483	3.1
233.13266	9.6
233.15456	3.3
234.14140	2.2
235.14803	9.7
236.15515	1.9
237.12912	1.8
237.16330	5.9
239.14449	2.3
239.17970	3.8
241.15875	1.6
243.11798	2.1
243.17459	2.2
244.12460	2.2
245.13194	6.3
246.14066	3.5
247.14774	7.4
247.17003	1.6
248.15639	2.2
249.16383	8.7
251.14119	1.6
251.18066	3.3
253.19662	1.5
255.17564	1.8
257.13181	1.9
257.19037	6.5
258.13928	1.8
259.14761	2.8
260.15674	4.2
261.16351	7.7
263.17950	6.1
265.19470	6.0
267.17444	1.6
269.13190	1.7
269.19022	3.9
271.14783	2.4
271.20648	1.4
273.16327	3.3
275.17737	6.2
277.19565	4.6
279.21103	2.8
281.19165	2.1
283.20554	11.7
287.17871	3.5
287.20410	1.9
289.19672	1.9
291.21323	1.5
293.23035	1.2
295.20639	3.4
297.16190	1.4
297.22089	4.8
299.17825	1.8
301.19220	2.3
307.20413	1.9
315.21063	2.1
329.22821	2.0
331.24191	5.4
333.22192	1.4
341.22498	2.2
349.25418	4.3
352.23999	1.7
357.25757	2.8
361.25500	1.5
365.24948	2.4
373.25363	1.6
375.26892	5.3
403.30148	7.4
427.30783	1.2
464.33087	1.4
491.35019	3.2
503.35196	4.1
509.34296	2.1
547.39209	3.0
565.40332	21.6
583.41479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
53.04177	1.4
55.01884	2.9
55.05511	19.9
55.39699	1.4
57.07074	8.6
59.04997	5.5
65.03947	4.6
65.36384	1.6
65.89775	1.4
67.05506	28.0
69.03118	1.6
69.03429	9.2
69.07065	19.8
69.51958	9.2
70.61896	1.6
71.04993	2.0
73.88853	1.6
77.03944	1.8
79.05492	34.1
81.03429	2.9
81.07055	42.7
83.04993	12.0
83.08617	13.8
85.06536	8.2
91.05482	57.5
93.07045	56.5
95.04990	14.5
95.08614	32.7
97.06545	7.2
97.10152	4.0
102.79702	1.7
103.05489	4.6
104.60527	1.6
105.04555	2.9
105.07034	91.2
107.04980	4.4
107.08603	49.9
107.09162	1.3
109.06499	9.6
109.10150	26.5
111.04411	1.7
111.08074	3.1
115.05466	5.8
116.06285	2.3
117.07008	20.7
119.08583	85.9
121.06505	5.7
121.10143	51.5
121.11024	2.0
123.08090	16.5
123.11732	5.9
125.05998	3.5
125.09632	5.2
128.06197	12.8
129.07018	20.6
130.07758	9.5
131.08578	39.6
133.06541	3.1
133.10133	46.5
135.08037	14.0
135.11699	19.0
137.09628	13.6
141.06995	13.1
142.07787	30.5
143.08560	41.8
144.09344	8.5
145.06525	2.0
145.10132	58.5
145.11285	3.0
147.08044	20.7
147.11658	16.0
149.09616	9.0
149.13211	3.9
151.07515	14.5
151.11226	2.6
153.07004	6.6
153.09044	2.6
154.07724	2.3
155.06128	1.9
155.08563	19.2
156.09358	18.1
157.10138	60.8
158.10956	9.4
159.08115	5.5
159.11702	28.6
161.09654	5.6
161.13235	8.7
163.11139	9.2
165.07008	8.6
165.09119	30.3
166.07793	5.9
167.08578	13.2
167.10674	11.9
168.09309	8.9
169.10124	35.2
170.10912	12.1
171.11699	30.5
172.12395	2.2
173.09674	7.2
173.13260	23.3
175.11224	4.8
175.14830	10.6
178.07713	2.4
179.08585	17.0
180.09410	7.4
181.10107	17.3
181.12201	7.9
182.10951	8.6
183.11702	31.4
184.12564	8.1
185.09682	2.7
185.13235	21.4
187.11267	2.6
187.14867	7.0
189.12801	6.4
189.16380	2.2
191.08617	2.3
191.14299	9.5
192.09402	6.4
192.11162	2.1
193.10130	20.0
194.10944	12.2
195.11688	25.2
196.12529	6.2
197.13269	23.6
198.14095	2.3
199.11337	2.7
199.14830	17.5
201.12823	3.9
201.16451	4.1
203.14348	11.7
204.09438	2.1
205.10155	4.8
205.15764	2.2
206.10863	8.9
207.11751	23.5
207.13870	6.9
208.12567	10.6
209.13275	31.4
209.15207	1.5
210.13994	3.1
211.11386	2.4
211.14832	12.1
212.15714	1.7
213.12694	2.4
213.16383	3.9
215.08583	1.6
215.14323	3.8
216.09398	1.6
217.10072	2.4
217.15910	12.5
218.10982	4.8
219.11700	8.4
220.12489	8.4
221.13283	16.7
221.15440	58.6
222.14041	3.7
223.14850	18.8
224.15712	3.9
225.12772	2.3
225.16382	7.5
227.14296	3.9
229.10229	2.4
229.15845	2.1
230.10982	1.7
231.11713	8.6
231.17480	2.2
232.12520	6.0
233.13315	12.1
233.15437	4.9
234.14046	5.4
235.14842	14.2
236.15652	2.3
237.16483	8.1
239.14362	3.5
239.18031	7.2
243.11790	4.6
245.13335	5.7
246.14073	7.5
247.14874	10.6
247.17044	2.8
248.15540	2.4
249.16432	9.9
250.17212	4.5
251.18082	7.6
253.19548	3.7
257.13400	1.7
257.18948	9.2
258.13965	2.1
259.14862	6.4
260.15524	4.3
261.16351	11.4
262.17300	1.9
263.18094	6.2
265.15894	2.0
265.19501	8.7
267.17514	2.2
269.19061	3.3
271.14948	4.4
271.20651	2.2
272.15662	2.2
273.16422	5.9
273.18881	2.5
275.17847	12.7
277.19321	3.0
281.19031	3.8
283.14902	3.0
283.20483	17.5
285.16293	3.0
287.20291	3.9
288.18661	1.7
289.19412	3.5
292.20105	2.8
293.19009	2.9
295.20612	3.7
297.22116	4.5
301.19250	2.9
303.21069	3.5
306.21469	4.7
307.20706	2.6
309.22162	2.5
317.22638	2.2
323.24020	1.7
331.24338	6.1
335.23639	3.8
347.24118	2.1
349.25345	8.8
361.25403	2.5
365.24747	2.9
375.26932	5.6
403.30048	5.2
491.35037	6.9
503.35504	5.2
517.22632	1.9
547.39728	4.6
565.40417	21.8
573.26263	1.8
583.41522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
56.96572	3.3
56.96813	0.6
61.02934	0.8
67.05495	2.2
68.95850	0.6
69.03394	0.6
69.07061	1.3
71.56528	0.8
79.05489	1.6
81.03394	1.0
81.07030	1.8
91.05478	0.7
93.07065	1.0
97.06501	1.1
98.97580	2.6
100.88966	0.7
105.07018	1.5
109.10147	1.1
110.97546	0.7
112.99152	2.4
116.98629	1.4
119.08549	0.8
123.11699	0.6
126.88785	0.6
131.00194	3.5
138.61475	0.6
149.01228	2.4
155.52184	0.7
158.99667	1.1
182.69226	0.6
191.02159	0.7
267.09229	1.2
292.12469	1.3
292.62839	0.8
293.05426	1.5
305.10580	0.8
309.10052	1.1
329.14261	2.5
347.15460	6.6
365.16348	4.8
388.18103	0.9
445.19690	0.8
485.16638	1.8
565.23199	1.2
583.25000	100.0
584.25177	1.2
585.67804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01878	2.3
55.05504	7.5
57.07074	4.3
59.05013	2.4
65.03943	1.6
67.05507	10.9
69.03423	5.1
69.07074	12.0
70.14925	8.2
71.04989	2.2
79.05489	18.8
81.07061	20.7
83.04984	4.1
83.08620	4.6
85.06548	2.2
88.24343	1.5
91.05486	34.5
93.07047	45.6
95.04977	44.7
95.08601	16.3
97.06526	3.3
103.05485	2.4
105.07036	60.6
107.08601	26.3
109.06530	7.2
109.10152	10.7
115.05463	6.4
116.06240	2.3
117.07026	22.3
119.04965	4.1
119.08591	61.5
121.06517	5.2
121.10154	52.0
121.30067	1.9
122.10883	3.4
122.17525	1.7
123.08070	18.2
123.11692	3.5
125.09642	2.4
128.06218	12.3
129.07016	18.4
130.07805	9.6
131.08586	34.5
132.09395	4.2
133.06496	11.2
133.10133	24.9
135.08076	6.8
135.11670	5.4
137.09602	5.6
138.10399	5.2
139.11154	4.0
141.07019	7.8
142.07787	17.2
143.08568	42.3
144.09370	8.3
145.06517	4.1
145.10132	83.8
146.07275	6.6
147.08069	11.4
147.11705	13.3
149.09627	15.3
151.11205	2.9
153.06955	4.3
154.07790	4.9
155.08543	25.1
156.09364	14.0
157.10147	44.0
158.10922	9.8
159.08035	19.7
159.11716	15.8
161.09628	10.9
161.13213	2.8
163.11195	2.0
165.07039	6.8
166.07790	4.1
167.08630	12.2
167.10684	66.5
168.09338	5.6
169.10143	38.8
170.10901	11.7
171.08078	5.0
171.11696	24.7
172.12540	2.9
173.09636	11.6
173.13263	12.4
174.10381	2.7
175.11188	4.2
177.09131	1.8
178.07846	3.1
179.08549	13.1
180.09424	8.9
181.10135	21.6
182.10901	14.6
183.08093	3.9
183.11696	28.5
184.12471	2.4
185.09627	8.0
185.13263	10.8
186.10504	2.5
187.11197	8.8
187.15002	2.2
189.12723	11.0
191.14310	9.7
192.09439	4.8
193.10114	12.7
194.10931	6.7
195.08015	1.7
195.11700	21.3
196.12500	7.1
197.09627	6.2
197.13258	19.7
198.14038	3.0
199.11177	16.2
200.11975	5.0
201.12796	5.4
202.13525	2.3
203.08630	1.9
203.14339	2.3
205.10144	5.4
205.12071	2.0
206.10898	5.6
207.11729	17.3
208.12526	5.8
209.09586	2.2
209.13261	25.7
210.10435	2.6
210.13994	3.4
211.11249	8.5
211.14784	16.5
212.11958	2.4
213.12808	6.6
213.16318	2.4
215.14360	7.6
217.12321	2.0
218.10904	2.1
219.11758	7.2
219.13683	2.3
220.12509	5.2
220.14635	13.1
221.13342	12.6
221.15294	3.2
222.14017	4.1
223.11211	13.0
223.14818	11.7
224.12004	2.6
224.15634	4.1
225.12711	8.9
225.16417	4.9
226.13695	1.9
227.14328	3.4
229.15990	2.4
231.11746	3.1
232.12462	3.2
233.13277	6.9
233.15428	30.0
234.14102	3.3
234.16223	5.4
235.14751	11.6
237.12747	3.5
237.16486	5.3
239.14317	5.6
239.17979	3.1
243.11801	2.2
245.13260	3.1
246.14035	2.6
246.16246	4.4
247.14844	6.8
247.17068	3.0
249.12923	3.3
249.16327	4.3
251.14296	3.8
253.15952	5.1
255.17542	3.8
257.13190	3.7
259.14673	3.2
259.17142	2.4
260.15601	2.9
260.17969	2.4
261.13632	1.6
261.16528	4.8
263.14594	3.4
263.18079	3.2
265.15872	9.1
273.18643	18.6
274.19699	1.9
275.17923	3.0
277.15912	4.5
277.19666	2.9
281.18893	2.5
285.16174	2.8
285.18900	2.2
286.19382	4.5
287.17706	2.1
289.15811	2.3
289.19595	4.2
291.21033	2.4
297.18793	4.0
298.19360	9.5
299.20087	17.3
303.21265	2.6
305.18887	2.3
309.22177	3.4
310.19342	6.4
311.20068	5.5
312.20941	3.4
319.20612	4.0
323.19864	3.6
324.20691	2.9
325.06244	2.0
325.21625	3.2
333.22192	3.9
335.20148	13.4
337.21658	19.8
338.22369	3.4
345.22003	2.9
349.21634	6.3
350.22467	6.4
351.23300	12.2
352.23981	100.0
353.24683	5.1
363.23114	16.5
364.24023	3.2
365.24579	9.7
376.24023	5.0
389.24826	4.7
416.27066	2.6
429.27994	5.9
434.28238	5.2
443.29526	5.1
444.30249	48.7
457.31229	2.0
468.02289	2.0
472.32657	2.1
490.34326	17.3
503.34958	3.0
526.34723	2.6
549.37030	2.5
564.39832	3.4
582.40723	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.05514	8.7
57.07066	4.8
59.05000	2.2
63.43267	1.1
65.03933	2.4
66.32904	1.1
67.05508	10.5
69.03420	4.1
69.07076	8.1
69.07391	1.5
69.26667	1.9
69.27077	9.7
79.05488	14.2
81.07056	20.0
83.04964	2.7
83.08624	3.9
85.06530	2.1
91.05477	25.2
93.07044	24.1
95.04970	37.0
95.08610	13.9
97.06560	1.7
103.05457	2.9
105.07028	42.1
106.07835	1.7
107.04981	2.2
107.08595	26.9
109.06520	7.3
109.10167	8.9
115.05445	4.6
116.06246	1.8
117.07023	16.9
119.04958	2.9
119.08575	43.1
120.09449	1.3
121.06490	5.2
121.10146	24.5
122.07295	3.9
123.08049	11.7
123.11736	6.1
125.09661	1.7
128.06221	10.8
129.07002	14.7
130.07809	7.9
131.08563	31.9
132.09360	2.7
133.06516	3.9
133.10124	24.4
134.07364	2.3
135.08057	13.3
135.11670	6.1
137.09608	3.6
138.10399	2.8
139.11200	2.0
141.07002	7.3
142.07784	13.1
143.08560	41.3
144.09340	7.8
145.06477	3.3
145.10114	40.4
146.07243	2.6
146.10815	1.4
147.08055	7.9
147.11690	12.0
148.08809	2.2
149.09595	5.6
151.11195	2.4
152.06236	1.3
153.06973	2.4
154.07787	3.1
155.08554	18.3
156.09335	13.5
157.06531	1.8
157.10130	34.5
158.10916	7.7
159.08060	8.2
159.11691	18.1
160.08891	3.0
161.09604	13.9
161.13252	2.7
163.11217	1.7
165.06984	5.7
166.07773	2.9
167.08530	8.2
167.10696	4.3
168.09357	4.6
169.10123	21.1
170.10910	7.4
171.08026	4.1
171.11670	22.6
172.08833	2.5
172.12469	1.9
173.09601	12.7
173.13257	11.4
174.10344	1.6
175.11153	5.8
175.14836	2.1
177.09114	2.3
178.07773	1.7
179.08543	8.8
180.09366	4.4
181.10104	14.8
182.10910	7.9
183.08154	3.0
183.11697	24.8
183.13214	2.2
184.08911	1.4
184.12512	4.2
185.09665	7.5
185.13261	13.3
186.10486	2.6
186.14012	1.3
187.11186	8.8
187.14886	3.9
188.11981	4.4
189.09163	4.0
189.12741	7.8
191.08521	1.5
191.14243	6.8
192.09421	3.6
193.10138	11.2
194.10861	7.4
195.11684	21.0
196.12502	4.6
197.09624	4.9
197.13258	15.7
198.10498	2.2
198.14070	2.1
199.11180	13.9
199.14813	7.0
200.12064	2.0
201.12762	4.6
201.16573	1.6
203.14322	3.8
205.10089	2.2
206.10863	3.7
207.11676	15.7
208.12439	6.5
209.09633	2.0
209.13219	15.6
210.10529	2.8
210.14063	3.4
211.11250	6.3
211.14832	10.6
211.63231	1.2
212.12003	2.5
212.15529	1.4
213.12799	7.4
213.16348	4.5
214.13390	1.3
215.10796	1.3
215.14374	2.9
217.10156	4.1
217.12149	1.4
217.15929	2.9
218.10954	2.6
219.11691	7.1
220.12523	3.5
221.13283	10.4
222.14030	3.1
223.11220	3.9
223.14757	8.8
225.12743	8.7
225.16341	2.8
226.13713	1.3
227.14307	12.1
230.11058	1.7
231.11743	3.5
231.13867	2.0
232.12497	3.1
233.13258	8.9
233.15353	2.1
234.14128	1.5
235.11172	1.4
235.14784	8.2
237.12637	3.4
237.16412	5.3
238.13629	2.1
238.17291	1.7
239.14365	4.0
239.17923	2.7
240.15031	1.7
241.15839	2.1
243.11726	2.8
244.12482	1.9
245.13239	3.4
245.15463	3.4
246.14139	2.8
247.11177	1.6
247.14883	7.0
248.11958	1.3
249.12825	2.9
249.16411	4.5
251.14259	3.7
251.17947	2.1
253.15849	6.6
255.17422	6.1
256.18076	1.7
257.13153	2.4
257.15479	2.5
257.19128	1.5
259.14832	3.2
259.17215	1.4
260.15619	1.6
261.13055	1.4
261.16431	5.7
263.14301	3.7
263.17908	2.2
265.15918	4.8
267.17462	2.1
269.13245	1.5
269.18930	1.3
271.16995	4.9
273.18524	49.4
274.13791	1.8
275.14371	2.4
275.17764	2.3
276.18860	1.5
277.15887	3.7
277.19501	2.6
279.17542	3.5
281.18970	2.2
283.14990	1.4
285.16238	1.4
286.19318	4.7
287.20193	1.9
289.15915	6.6
289.19580	3.4
291.17468	4.7
291.21155	4.5
297.16263	1.4
299.17661	1.4
299.20169	15.9
301.19540	2.5
303.21136	1.7
305.18985	1.6
307.20523	1.4
309.22198	1.8
310.19681	1.2
311.20148	3.6
317.18903	1.7
319.20557	5.3
323.20084	1.6
325.21564	4.2
329.18961	1.5
331.20679	1.7
333.22092	1.8
334.22849	2.0
337.21692	18.4
339.23260	2.3
350.22226	2.3
351.23221	5.4
352.23956	100.0
353.24991	5.8
357.21741	2.2
363.23193	4.4
365.24881	8.3
376.24091	4.0
377.24695	1.3
389.24683	1.6
401.28683	1.9
411.27097	2.7
429.27936	2.7
434.27835	7.6
443.29382	2.8
444.30246	35.8
445.31000	4.9
472.33221	1.7
475.24734	1.3
490.34464	17.2
495.32672	1.8
521.37738	1.5
526.34247	1.8
564.39923	4.1
582.40680	77.1
594.73578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05519	6.3
57.07064	3.8
59.04988	1.1
65.03942	3.2
67.05501	10.8
69.03426	4.3
69.07072	8.5
70.07285	1.9
70.07681	2.9
72.48924	1.1
79.05502	11.9
79.33966	1.2
81.07066	17.1
83.04985	2.3
83.08609	4.1
85.06548	1.4
91.05482	21.5
92.90159	1.3
93.07048	23.5
95.04978	39.5
95.08613	11.6
98.20788	1.2
99.64491	1.1
103.05446	3.0
105.07040	43.0
107.04992	3.6
107.08598	28.3
109.06556	7.0
109.10161	9.2
111.08046	2.6
115.05476	3.1
116.06252	2.0
117.07019	14.6
119.04935	1.9
119.08587	43.0
120.09370	2.8
121.06483	3.5
121.10151	22.8
122.07304	2.6
123.08083	10.2
123.11715	3.8
128.06238	8.8
129.07018	13.6
130.07819	6.9
131.08583	30.4
132.09367	2.0
133.06535	4.0
133.10132	22.6
134.07259	1.9
135.08047	11.9
135.11673	7.4
137.09616	2.7
138.10388	3.0
139.11217	1.6
141.06972	8.1
142.07799	13.6
143.08569	40.5
144.09364	6.4
145.06491	2.5
145.10141	43.8
146.07295	2.3
146.10948	2.2
147.08099	6.7
147.11697	11.1
148.08870	1.9
149.09601	6.0
149.13290	1.9
151.11218	3.7
153.07043	4.1
154.07870	1.3
155.08553	14.8
156.09348	14.3
157.10143	37.9
158.10930	8.2
159.08061	11.4
159.11708	15.3
160.08798	1.5
161.09639	12.8
161.13283	3.6
163.11230	1.8
165.07018	6.2
166.07742	2.7
167.08575	11.4
167.10707	4.4
168.09375	6.3
169.10126	24.9
170.10953	5.2
171.08066	3.7
171.11705	23.9
172.08795	1.8
172.12477	2.2
173.09625	13.3
173.13261	11.1
174.10339	1.2
175.11189	5.0
175.14867	1.7
177.09201	2.4
179.08585	8.9
180.09329	5.4
181.10121	15.9
182.10928	8.4
183.08118	1.9
183.11707	22.5
184.08905	1.5
184.12483	3.9
185.09641	6.6
185.13289	9.2
186.10461	2.7
187.11208	9.6
187.14821	4.0
188.12016	3.0
189.09172	5.7
189.12749	8.4
191.14368	8.0
192.09383	4.0
193.10132	15.5
194.10919	7.6
195.07944	1.4
195.11693	22.7
196.08859	1.5
196.12503	4.9
197.09663	6.0
197.13284	16.9
198.10434	2.6
198.14067	3.1
199.11195	14.6
199.14813	7.8
200.12018	2.0
201.12715	5.3
203.08728	1.3
203.14377	3.6
204.15144	1.3
205.10196	3.0
206.10928	5.4
207.11728	14.0
208.12492	5.9
209.09648	2.5
209.13269	15.6
210.10422	2.6
210.14107	4.2
211.11227	8.4
211.14816	10.7
212.12042	3.1
213.12717	8.0
213.16417	4.1
214.13608	1.8
215.10741	1.7
215.14378	5.2
217.10194	2.8
217.12152	1.4
217.15892	3.6
218.10968	2.3
219.11688	5.9
220.12485	3.9
221.13318	10.4
222.14093	4.5
223.11319	6.2
223.14815	11.3
224.12166	1.5
224.15642	2.0
225.12752	8.9
225.16444	4.2
226.13503	2.0
227.14287	11.5
229.10187	1.9
231.11720	3.2
231.13774	2.5
232.12552	1.9
233.13272	8.7
233.15320	1.9
234.14136	2.6
235.11195	2.0
235.14847	7.1
237.12791	2.9
237.16452	6.0
239.14313	4.3
239.18069	3.3
241.15921	2.3
243.11765	2.5
244.12517	2.4
245.13306	4.9
245.15445	2.3
246.14015	2.4
247.14946	6.0
248.15648	2.7
249.12650	2.6
249.16473	4.7
251.14404	3.8
252.15230	1.4
253.15912	7.0
254.16534	1.3
254.77693	1.2
255.17529	3.9
256.12680	1.9
256.18390	1.3
257.13174	2.2
257.18973	1.9
258.14063	1.9
259.14835	3.6
259.17218	1.4
260.15845	1.4
261.12894	1.8
261.16467	4.9
262.17365	2.5
263.14362	3.2
263.17923	2.3
265.15915	5.4
269.19128	1.9
271.17032	5.8
272.15390	2.0
273.18555	51.1
275.14468	2.3
275.17966	3.4
276.15237	1.9
276.18445	1.3
277.15921	3.7
277.19623	2.4
278.16370	1.4
279.17542	1.9
281.19077	2.6
286.19458	5.2
287.14163	1.2
287.20135	1.9
289.15927	7.2
289.19635	3.7
291.17542	4.6
291.20789	2.2
293.19083	2.8
299.20169	19.7
300.21127	2.1
303.21078	1.6
305.19083	2.2
307.20453	2.4
309.22250	4.0
311.20132	3.1
312.21112	1.4
315.21310	1.5
319.20764	4.9
325.21887	6.2
334.22876	2.7
337.21634	20.9
338.22372	1.5
343.20407	1.5
345.22266	2.6
349.21964	1.3
350.22632	2.5
351.23245	4.8
352.23996	100.0
353.24704	5.9
357.22107	1.4
363.23285	6.4
365.24811	9.8
375.23334	1.5
376.24081	5.2
401.28589	3.4
406.28616	1.8
411.26779	1.8
429.28033	3.9
434.28262	6.9
443.29752	3.0
444.30276	40.6
445.31058	5.3
472.33545	3.0
490.34512	19.2
521.37903	1.5
526.34985	1.6
549.37323	1.5
564.39899	3.3
582.40723	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.77677	1.4
55.05511	10.4
57.07070	3.6
59.04992	2.4
65.03948	3.1
67.05506	14.8
69.03431	4.6
69.07067	14.0
69.56554	10.6
79.05500	29.8
81.07061	30.4
83.05006	3.5
83.08627	4.9
85.06544	1.8
91.04962	2.5
91.05486	29.6
93.07047	52.1
95.04974	41.7
95.08604	17.3
97.06533	4.8
97.10158	1.7
103.05448	3.1
105.04508	1.8
105.07037	60.6
107.05027	1.8
107.08602	30.5
109.06541	5.6
109.10168	11.7
111.11691	2.0
115.05460	5.0
116.06290	2.3
117.07023	20.2
118.07825	2.4
119.04990	2.5
119.08585	55.8
120.09338	2.1
121.06529	4.2
121.10147	57.7
122.10941	1.8
123.08086	12.8
123.11718	5.3
125.09682	1.7
128.06224	7.3
129.07001	16.5
130.07800	8.5
131.08566	32.1
132.09375	5.3
133.06488	11.7
133.10141	26.9
135.08070	7.4
135.11679	13.7
137.09631	4.9
138.10379	3.8
139.11215	3.0
141.06999	7.5
142.07790	13.0
143.08563	41.2
144.09335	5.6
145.06505	3.6
145.10127	68.1
145.11295	3.3
146.07285	5.6
147.08051	10.1
147.11681	11.8
149.09631	13.3
149.13277	6.4
151.11217	3.1
153.07018	5.2
154.07829	4.7
155.08539	18.7
156.09354	15.6
157.10129	37.5
158.10936	6.9
159.08055	14.1
159.11682	14.6
160.12515	1.5
161.09641	10.6
161.13263	3.6
163.11209	2.7
165.07036	6.4
166.07849	2.5
167.08647	10.3
167.10686	60.7
168.09357	4.9
169.10126	33.6
170.10925	11.0
171.08112	3.2
171.11716	23.8
172.12523	3.4
173.09650	8.5
173.13260	11.5
174.10542	2.8
175.11243	3.9
175.14868	2.0
178.07787	2.1
179.08615	7.5
180.09381	5.8
181.10129	18.8
182.11008	9.2
182.12495	1.8
183.08118	3.9
183.11707	26.7
184.12453	4.0
185.09596	7.5
185.13231	12.2
186.10492	2.8
187.11211	10.3
189.12671	10.1
191.14409	8.5
192.09354	3.5
193.10164	10.3
194.10876	8.9
195.11713	22.3
196.12498	5.5
197.09654	7.0
197.13249	22.2
198.10324	2.7
198.14040	3.4
199.11168	15.9
199.14851	2.8
200.11903	4.6
201.12758	4.7
205.10213	2.6
206.10994	4.5
207.11691	12.6
208.12468	5.0
209.09628	1.7
209.13254	18.9
210.14114	3.8
211.11267	5.5
211.14821	13.4
213.12869	5.5
213.16281	1.9
215.14325	7.9
217.10104	2.8
217.12102	3.1
218.10936	2.3
219.11742	5.2
220.12540	4.0
220.14619	7.8
221.09630	1.7
221.13301	11.2
221.15292	3.1
222.14153	2.0
223.11272	9.0
223.14799	13.3
224.15619	2.8
225.12881	8.0
225.16351	3.6
227.14310	2.6
231.11748	4.0
232.12502	2.9
232.14682	2.6
233.13258	5.7
233.15359	31.6
234.14119	2.8
234.16255	4.0
235.14886	7.4
236.15636	2.2
237.12794	5.8
237.16469	3.5
239.14378	3.9
243.11833	2.6
245.13272	3.4
246.14043	2.4
246.16341	3.8
247.14856	6.4
247.17041	2.3
249.12828	3.5
249.16377	3.9
251.14395	2.9
253.16005	4.5
255.17430	3.2
259.14789	3.4
259.17233	2.1
259.20435	1.9
260.15439	2.5
261.16348	5.1
263.14401	4.8
263.18036	1.9
265.15961	7.4
269.19485	1.9
273.18634	18.6
275.17972	3.4
277.15982	4.3
279.17532	2.2
285.18719	2.2
286.19458	4.6
287.20331	2.7
291.17673	3.3
291.23413	10.2
293.18713	1.9
297.18643	3.6
298.19324	9.0
299.20139	21.6
300.20929	3.6
301.19662	2.5
303.21088	2.9
309.22357	3.4
310.19312	4.9
311.20099	5.7
312.20956	5.9
319.20541	3.0
321.18637	2.5
323.20123	2.5
324.20941	2.7
333.22162	3.4
335.20038	11.1
337.21637	21.3
338.22675	3.1
349.21765	5.5
350.22363	4.3
351.23215	9.4
352.23969	100.0
353.24692	4.2
363.23309	11.1
364.24002	4.3
365.24811	9.1
376.23694	3.4
387.23602	1.9
389.24710	3.9
391.26431	2.1
429.27985	4.2
434.28421	5.1
443.29572	5.9
444.30301	39.8
490.34366	15.8
503.35535	3.0
526.34253	3.3
549.37628	2.1
564.39636	3.6
582.40741	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	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05502	6.4
57.07077	2.9
59.04988	2.0
65.03937	2.5
67.05514	11.1
69.03413	5.0
69.07072	9.7
70.02247	1.5
71.04988	1.8
71.28152	1.8
79.05502	13.8
81.07055	19.2
82.35558	1.7
82.36048	1.6
83.04978	2.3
83.08620	4.6
85.06532	2.1
91.05487	27.6
93.07043	29.6
93.07619	1.9
95.04973	42.6
95.08607	17.5
97.06502	2.3
103.05447	1.4
104.67809	1.5
105.07034	52.4
107.04983	2.0
107.08595	27.2
109.06519	6.7
109.10143	9.8
111.11748	2.2
115.05428	4.0
116.06248	1.9
117.07020	19.6
118.07712	1.8
119.04930	2.3
119.08584	57.4
120.66623	1.4
121.06519	5.7
121.10144	35.5
123.08064	12.3
123.11713	3.1
124.05087	1.4
125.09521	1.4
128.06242	9.1
129.07024	18.6
130.07780	6.2
131.08569	32.1
132.09338	3.1
133.06523	7.6
133.09227	2.6
133.10136	25.4
135.08029	7.6
135.11708	5.3
136.35695	1.3
137.09634	5.2
138.10416	3.9
141.06999	5.6
142.07770	13.3
143.08563	43.6
144.09317	5.4
145.06552	2.2
145.10127	58.8
146.07318	2.3
147.08064	6.7
147.11688	10.2
148.08842	2.3
149.09641	10.7
151.11198	2.0
152.06178	1.5
153.06990	3.6
154.07787	5.0
154.60394	1.5
155.08548	17.6
156.09349	16.1
157.10130	34.8
158.07310	1.8
158.10912	7.3
159.08066	11.6
159.11707	13.6
161.09615	12.5
161.13229	1.8
163.11174	1.9
163.92169	1.7
165.07001	5.7
166.07802	2.8
167.08562	13.0
167.10683	35.6
168.09386	8.9
169.10120	29.5
170.10934	6.5
171.08046	3.0
171.11693	21.4
172.12456	2.4
173.09616	8.5
173.13239	12.0
175.11197	3.6
177.09088	1.6
178.07794	2.4
179.08528	9.0
180.09384	6.2
181.10147	17.7
182.10878	10.3
183.08041	2.1
183.11699	26.3
184.12411	3.6
185.09636	8.8
185.13304	9.5
186.13919	1.5
187.11197	7.5
187.14914	3.1
189.09108	3.6
189.12776	5.9
191.10658	1.6
191.14351	8.6
192.09377	5.6
193.10147	12.1
194.10910	6.9
195.08081	2.4
195.11713	21.1
196.08807	2.1
196.12482	6.6
197.09618	5.5
197.13272	17.9
198.10513	1.8
198.14073	4.1
199.11177	13.0
199.14879	6.2
200.11972	3.5
201.12758	4.2
203.14340	2.6
204.09479	1.6
205.10194	4.9
205.12016	1.5
206.11000	4.6
207.11714	13.1
208.12518	6.2
209.09703	3.0
209.13226	18.8
210.14165	3.8
211.11131	7.8
211.14784	10.5
211.41887	1.4
212.11954	2.0
213.12770	6.6
213.16461	3.8
215.10767	1.9
215.14342	5.6
217.10159	3.0
217.12138	1.8
217.15874	2.9
218.10954	2.1
219.11729	8.0
219.13708	2.7
220.12616	2.9
220.14606	6.8
221.13306	10.9
221.15257	2.8
222.10484	2.0
222.13985	4.4
223.11240	8.9
223.14828	12.3
225.12744	7.5
225.16364	3.5
227.14355	5.1
230.10837	2.1
231.11676	4.5
232.12457	2.6
233.13248	7.4
233.15422	20.0
234.16144	3.3
235.11255	1.9
235.14871	9.5
237.12761	2.8
237.16388	5.4
238.17252	2.2
239.14340	2.6
239.17953	2.5
241.15843	2.2
244.12494	2.3
245.13312	3.5
246.14079	4.8
246.16379	3.1
247.14731	6.9
247.17050	2.3
249.12819	4.2
249.16446	4.2
251.14294	2.6
253.15933	6.5
255.17526	2.8
257.13034	1.6
258.13919	2.0
259.14853	3.9
261.16495	5.6
263.14279	4.7
263.18076	3.1
264.15393	1.8
265.15952	4.6
269.19080	2.5
273.18597	30.8
275.14542	2.2
275.17950	3.6
277.15927	4.6
277.19238	3.1
279.17477	2.3
281.19131	1.7
286.19308	5.0
287.20258	3.0
289.15967	3.8
289.19409	1.8
291.17474	4.3
291.21173	3.3
293.18948	1.9
297.18686	2.9
298.19241	5.8
299.20093	16.9
300.21024	2.1
303.17700	2.0
303.21112	2.5
307.20578	1.9
309.22177	3.6
310.19458	4.6
311.20029	4.3
317.19040	2.4
319.20679	5.0
325.21637	4.2
333.21973	1.8
335.20148	7.1
337.21649	22.0
345.22144	3.5
349.21600	4.4
350.22366	4.3
351.23242	7.5
352.23962	100.0
353.24780	4.8
363.23193	10.3
365.24609	8.2
376.23956	4.7
389.24814	2.3
401.28610	1.7
429.27997	4.2
434.28198	3.6
443.29593	4.2
444.30246	44.1
445.30994	2.9
472.33389	1.8
490.34326	17.5
503.35858	2.0
549.37762	2.1
564.39520	3.0
582.40704	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01863	8.1
55.05261	2.5
55.05510	26.1
56.05029	2.1
57.03435	10.4
59.04983	5.0
60.18130	2.4
61.02908	2.4
65.03940	2.7
67.05509	100.0
69.03430	21.6
69.07076	28.6
69.50437	5.9
69.50864	10.4
70.06583	10.5
71.04984	8.6
72.08150	9.8
73.02915	3.7
79.05495	36.0
79.63264	2.4
81.03429	23.8
81.07061	59.6
82.65198	2.1
83.04964	8.4
83.08616	16.9
85.02915	17.6
85.06541	6.2
86.09708	29.1
91.03960	3.5
91.05489	36.2
93.07056	42.5
95.04955	10.1
95.08608	30.3
97.02893	10.2
97.06541	37.8
97.10168	14.1
98.97567	2.7
99.04447	7.3
99.08110	3.4
103.03963	4.6
105.07024	28.3
107.04919	8.1
107.08603	34.9
109.02879	14.7
109.06511	8.6
109.10162	79.8
111.04428	5.7
111.08051	6.9
117.06997	16.0
119.08588	27.3
120.08086	2.7
121.06495	8.2
121.10153	15.6
123.08096	4.8
123.11678	4.5
125.09624	9.8
127.03928	27.5
129.07013	6.6
130.47012	2.1
131.04907	3.0
131.08595	14.5
133.06383	4.1
133.10138	25.7
135.11696	7.0
136.00473	2.5
137.05968	3.0
137.09602	6.4
141.06976	3.3
143.08548	4.0
145.04852	3.2
145.06522	2.8
145.10124	15.6
147.04390	6.0
147.08078	3.9
147.11707	16.6
149.09622	13.0
149.13232	12.4
151.07520	3.0
151.11246	3.0
153.06923	2.5
153.09186	3.6
155.08578	3.0
155.10681	15.5
157.10167	5.1
159.11723	18.6
161.09534	3.3
161.13194	4.3
163.11205	5.2
167.07072	2.7
167.08463	2.0
169.10150	3.9
171.08089	2.5
171.11641	3.3
173.09619	3.9
173.11771	42.2
173.13173	5.3
177.12766	6.9
184.07339	4.1
187.07521	2.2
189.09531	2.3
189.11224	9.7
195.13757	11.5
197.13391	2.8
201.12640	2.8
207.14000	2.7
213.14813	5.6
215.06940	3.3
227.12804	4.0
229.12091	4.7
229.14355	51.4
229.19281	3.1
239.17917	5.0
247.20398	2.6
257.18973	10.0
259.09576	2.6
269.17426	10.9
275.20084	64.3
278.07318	2.2
293.21130	15.1
299.11713	3.7
299.14890	45.1
303.15848	4.6
311.12766	5.2
317.16006	31.1
317.20023	2.6
317.21057	2.2
321.16934	5.2
331.12073	13.5
335.22284	2.8
339.18048	29.0
346.05011	2.2
349.23752	21.0
355.15201	11.0
357.19046	11.6
367.24887	11.0
373.19070	14.4
379.21585	2.7
383.22186	9.3
391.19589	7.9
396.03882	2.6
401.23212	8.4
413.21503	8.5
419.24319	29.5
437.25488	23.1
547.21863	3.6
582.35461	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16159	2.2
53.03951	4.2
55.01868	3.5
55.05511	19.0
55.75254	2.6
56.96561	3.4
57.03436	14.9
59.05011	4.5
61.02919	4.7
67.05505	78.5
69.03421	5.5
69.07067	24.8
70.06587	8.0
70.46233	9.0
71.04985	6.3
72.08157	6.9
79.05495	27.3
81.03424	7.3
81.07057	59.3
83.04958	2.9
83.08618	15.9
85.02899	10.4
85.06543	5.9
86.09704	3.8
91.05482	25.3
93.03423	2.8
93.07041	41.3
95.04984	5.5
95.08603	29.6
97.02898	3.7
97.06535	25.5
97.10174	7.1
98.97612	2.6
99.08079	3.4
103.03938	3.1
105.07038	27.3
107.04942	7.1
107.08593	33.1
109.06535	7.7
109.10157	54.9
111.08088	8.0
116.07097	6.9
117.07021	8.6
118.08671	3.0
119.04919	2.6
119.08584	20.7
120.08110	4.1
121.06526	2.9
121.10134	13.6
123.08084	2.5
125.09652	7.8
127.03926	2.9
129.06985	2.5
131.00189	2.8
131.08546	11.9
132.15924	2.6
133.10144	19.8
135.08037	4.3
135.11694	8.8
137.09613	4.2
143.08617	2.4
145.10143	10.4
146.06116	2.7
147.04436	5.5
147.11729	12.5
149.09625	7.2
149.13243	14.1
155.10695	6.7
157.10085	3.8
159.11707	19.3
161.13223	6.8
163.11182	3.4
165.12697	2.9
167.07018	3.2
173.11763	23.4
173.13277	6.9
177.12700	18.3
179.14285	5.1
184.07346	3.8
189.11234	2.8
195.13855	5.0
217.15915	2.7
227.12766	5.5
229.12077	4.8
229.14359	100.0
239.18004	2.9
247.15401	7.1
247.25598	2.4
251.16438	4.0
257.19043	7.2
269.15121	3.2
269.17487	78.8
275.20068	26.6
293.21301	3.0
309.20654	4.4
311.12839	4.5
329.13702	3.2
331.15561	5.4
349.23724	75.3
350.17706	5.7
355.15417	5.4
367.24817	59.8
373.16370	5.0
391.19446	5.9
413.21777	4.3
431.22781	4.4
436.37018	2.5
511.29071	3.6
564.14429	2.7
582.34943	7.3
597.93463	3.2
600.01440	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	582.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01875	6.5
55.05512	8.4
56.05032	5.0
57.03439	1.7
58.06607	1.6
59.04992	2.3
60.04528	39.5
61.02913	2.8
67.05511	12.0
68.05029	8.1
69.03439	4.8
69.07064	5.5
70.02949	1.4
70.06603	5.3
70.87128	2.2
71.01343	2.6
71.04987	3.7
71.20532	0.9
72.04519	5.7
73.02919	18.6
74.06078	1.6
75.04484	11.2
79.05498	7.2
80.05019	15.5
81.03405	2.9
81.07066	12.8
82.06573	4.4
83.04968	3.8
83.08594	1.3
84.04498	4.1
84.08147	3.3
85.02903	3.7
85.06535	4.0
86.06061	3.2
86.09704	2.1
87.04462	4.0
88.10107	1.0
90.05550	4.4
91.05485	7.0
92.05020	2.3
93.07040	9.2
94.06568	9.2
95.04983	2.7
95.08614	7.0
96.04486	4.9
96.08126	2.7
97.06525	7.9
98.06057	4.6
101.02376	1.2
102.05487	1.2
103.03961	3.0
105.05495	1.8
105.07046	6.0
106.06544	3.0
107.04972	1.6
107.08574	5.3
108.04466	1.4
108.08127	2.7
109.06548	1.4
109.10156	3.7
110.06049	7.2
111.08084	6.9
114.05482	4.9
115.03938	8.4
119.04966	1.5
119.08591	2.9
120.08092	4.6
121.10160	3.8
122.06023	3.6
124.07578	2.9
129.01843	2.4
131.03409	2.6
131.08569	1.9
132.06572	33.7
132.08080	1.7
133.04939	6.1
133.08965	0.9
133.10143	2.8
134.09679	2.6
135.11702	2.0
136.07568	2.7
137.09590	1.3
138.12834	1.0
143.03397	1.7
144.32109	0.9
145.10129	1.7
146.08119	1.4
146.09645	1.5
147.04434	2.5
147.11720	1.9
150.09088	2.0
159.98828	1.2
160.06039	1.1
160.11238	1.2
161.04471	26.2
164.10684	1.5
168.13824	1.1
171.02904	7.1
175.06047	1.5
179.14417	1.4
188.14369	1.3
189.03932	7.1
192.13919	1.2
193.15942	1.1
194.15450	1.5
195.17545	1.5
203.05479	1.7
204.13866	1.3
206.15404	1.9
211.16991	3.4
221.06540	2.8
222.14827	1.1
224.20148	3.7
232.08220	2.2
232.16997	2.9
234.18605	1.4
237.18445	6.8
238.21753	1.9
239.44376	1.0
244.16879	1.0
244.20551	1.1
248.16574	1.3
248.20155	3.2
250.21831	1.1
252.19629	1.8
260.20111	14.2
261.31580	1.1
262.18085	3.9
262.21646	7.6
266.21112	7.6
271.06146	1.2
272.20068	7.0
278.21155	6.2
281.74155	1.0
290.21136	22.0
290.24203	1.5
298.20102	1.7
308.22104	9.4
326.23285	23.5
344.24335	42.0
354.22879	2.1
356.23950	1.2
362.25366	20.2
366.22684	1.9
368.24289	2.1
372.23737	5.7
378.23245	1.4
394.22180	7.1
408.23892	1.5
412.23251	10.7
426.24908	7.9
430.24554	6.2
444.25952	46.0
462.26993	100.0
556.51105	1.1
564.30408	3.2
582.31250	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
53.82135	0.4
55.01841	1.9
55.05511	4.8
55.70123	0.5
56.05005	1.8
57.03437	4.3
57.07054	0.8
60.04532	12.5
61.02935	2.7
65.03934	0.5
67.05513	5.4
68.05025	2.6
68.99760	0.8
69.03432	15.5
69.07079	4.1
69.43359	2.8
69.43766	0.9
70.06595	2.9
70.58740	0.6
71.05002	2.4
71.08626	0.5
72.04482	1.6
73.02921	3.3
73.40525	0.5
74.06075	0.6
79.05502	3.7
80.05023	9.9
81.03422	13.5
81.06656	0.5
81.07059	5.6
82.06593	3.3
83.01330	0.5
83.04971	1.0
83.08598	2.3
84.04491	0.8
84.08096	1.1
85.02909	20.8
85.06527	0.6
86.06039	1.4
86.09667	1.2
87.00819	3.8
87.04433	1.6
89.03894	0.5
90.05534	1.0
91.03944	0.6
91.05491	2.5
93.07068	3.4
94.06583	6.1
95.04936	0.8
95.08617	5.2
96.08107	0.6
97.02309	0.5
97.02894	9.8
97.06499	1.8
97.10130	1.1
98.06036	1.2
98.97572	0.6
99.04481	3.9
100.23399	0.5
101.02361	0.5
102.05525	0.6
103.03927	2.3
105.01842	1.5
105.06998	1.5
107.08561	1.8
108.08098	1.4
109.02234	0.7
109.02886	9.8
109.10134	1.9
110.06028	1.2
112.07612	0.7
116.07100	1.1
117.06974	0.8
119.08541	1.6
120.08103	1.0
121.10099	1.5
123.11691	0.8
127.03925	16.4
129.01826	1.2
131.08517	0.6
132.06554	1.2
133.10085	0.9
135.11673	1.3
147.04376	1.8
147.11649	1.2
159.02856	1.6
173.02303	0.7
187.06038	1.4
188.25832	0.6
191.06892	0.6
203.17995	1.1
210.22112	0.9
215.07076	1.2
222.22113	0.7
228.23183	1.4
240.23236	6.7
248.23836	2.4
254.24844	0.6
258.24353	5.6
259.09503	0.8
260.23773	1.1
266.24805	1.6
271.05984	0.8
273.18646	0.7
278.24805	10.6
291.19193	0.8
296.25848	7.7
314.26898	15.8
332.27969	71.2
356.28040	1.1
365.23361	1.9
371.14612	0.7
374.28955	3.1
383.24271	0.5
397.27942	0.6
476.32434	0.6
494.33069	2.2
513.18213	0.6
518.33453	1.4
536.34308	20.2
562.31958	0.9
562.39514	1.1
580.33282	100.0
581.33179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	4.6
55.05497	5.1
57.03428	4.1
60.04542	2.1
61.02927	10.8
67.05489	6.5
68.05025	7.8
69.03413	4.9
69.05804	1.8
69.07062	2.8
70.06595	52.5
70.21347	4.7
70.21696	2.6
71.04987	6.2
72.08141	3.9
73.02904	5.5
79.05489	7.7
80.26259	1.3
80.66586	1.3
81.02992	2.5
81.03423	33.9
81.07071	8.8
83.04974	6.7
83.07323	1.7
83.08620	9.6
84.04490	3.3
84.08134	5.4
85.02897	10.9
86.09682	2.9
87.04509	1.7
91.03941	3.5
91.05478	9.0
93.07033	5.6
93.68118	1.5
95.04980	11.1
95.08645	3.4
97.02911	8.2
97.06535	16.7
97.10195	1.7
98.06033	1.3
99.04424	2.0
105.07023	2.8
107.04930	2.2
107.08587	3.4
109.10166	3.3
110.09660	1.5
111.04468	2.1
111.08099	4.2
114.05513	6.3
116.07099	100.0
119.08591	3.5
120.08073	2.3
121.06538	1.8
121.10136	4.0
123.08043	1.6
127.03923	2.4
129.07010	3.2
131.08553	4.3
132.06570	1.9
133.10141	3.5
142.08649	3.5
145.10005	1.4
147.04417	9.2
147.08018	2.1
147.11713	2.3
149.09637	2.1
154.08676	3.0
157.10107	4.9
165.12802	1.5
170.08124	2.1
175.11157	7.1
177.12762	1.5
193.12239	26.8
195.13800	6.7
211.13277	4.1
213.14885	1.8
236.16473	13.7
252.19528	1.8
254.17548	28.4
267.15930	22.9
269.17368	1.6
280.19116	8.6
285.17001	38.3
287.43112	1.5
308.18628	3.5
309.16797	4.1
310.20169	3.1
312.21640	1.6
328.21204	54.4
338.23303	5.7
354.22424	1.6
356.20724	16.3
362.41284	1.5
372.23608	2.8
374.21817	11.2
382.22153	25.2
398.22107	2.3
400.23331	46.3
418.24301	4.3
536.26483	1.9
544.27350	9.8
562.28650	54.1
580.29822	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	579.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61567	0.5
55.05518	1.1
56.05041	4.1
56.96555	0.6
60.04519	1.2
61.02908	0.5
65.03925	1.8
67.05495	1.5
69.07062	0.8
70.02379	0.8
70.02781	1.5
70.06585	2.4
73.02893	0.6
79.05483	1.6
80.05004	0.6
81.03412	0.9
81.07056	1.9
82.06591	1.3
83.04955	0.7
83.41105	0.5
84.04491	0.8
84.08147	57.0
85.02879	1.9
86.09718	0.9
91.05482	13.3
93.07078	0.9
93.48324	0.4
95.04942	0.7
95.08601	0.9
96.08131	1.6
97.02875	0.7
97.06534	1.2
97.08932	0.7
98.09686	1.6
98.20839	0.9
98.97589	0.7
105.07027	1.7
107.04935	0.6
107.08585	1.4
108.08147	0.6
109.10153	0.6
110.09701	2.5
114.09152	1.0
119.04948	32.8
119.08615	1.1
120.08092	1.2
121.10126	0.9
122.09655	0.8
123.10519	0.5
124.11245	1.0
126.09158	2.0
133.10129	0.9
136.11218	0.6
137.05975	1.0
147.04416	100.0
167.07033	1.0
177.05525	0.6
195.02840	0.5
204.17484	1.2
218.19017	0.8
236.20119	1.4
242.18675	0.5
248.20215	1.3
259.21802	1.4
260.20148	1.9
266.21179	0.8
278.21225	2.3
280.60226	0.5
296.22266	2.1
337.24918	3.9
355.25922	25.3
373.26987	3.9
397.27078	3.0
399.25528	0.8
402.12567	0.5
403.13245	1.0
415.28043	2.4
433.29068	3.9
493.25790	0.7
501.29700	6.6
519.30817	3.9
535.27234	1.0
561.31708	14.7
579.32800	85.6
580.33142	0.9
605.39362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14502	0.5
56.05031	2.6
60.04524	0.9
63.08527	0.7
65.03928	1.9
67.05495	1.0
67.51553	0.6
69.62289	3.6
70.06595	1.0
70.25813	0.6
79.05480	0.6
80.63743	0.6
81.07065	0.9
82.06577	0.9
84.08145	46.2
91.05482	15.4
93.07024	0.7
96.08134	1.3
97.08919	1.0
98.09676	1.0
105.07000	0.7
107.08582	0.7
109.10112	0.7
110.09705	2.8
113.86323	0.6
114.09169	1.5
114.14518	0.5
119.04944	31.7
120.08092	0.9
124.11216	0.8
126.09172	2.2
136.11240	1.4
147.04411	100.0
180.13701	0.7
204.17438	0.8
234.95364	0.6
236.20189	1.4
245.20297	0.5
248.20061	1.1
251.28549	0.6
258.02014	0.6
259.21753	2.1
260.20108	1.4
266.21115	1.1
271.06039	15.0
277.22769	1.2
278.21176	3.1
286.12344	0.6
296.22226	2.3
301.22726	0.9
313.24921	0.9
319.23904	1.6
337.24835	3.2
355.25897	24.9
356.58759	0.6
373.27023	3.5
397.27036	2.2
411.89578	0.7
415.28046	2.7
433.29068	6.6
447.03760	0.6
447.09244	1.7
501.29495	5.0
519.30444	3.4
543.31024	0.7
561.23358	1.2
561.31744	15.8
579.32764	91.4
580.33575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14743	0.3
54.31556	0.3
55.05513	0.9
56.05035	2.8
60.04537	1.6
61.02929	0.6
65.03952	1.7
67.05505	1.6
67.60474	0.3
69.03418	0.9
69.07053	0.8
70.06596	3.2
71.57375	0.5
72.04536	0.4
72.08166	0.4
79.05487	1.5
81.03400	0.8
81.07046	1.8
81.46670	0.3
82.06577	0.5
83.04969	0.4
84.04511	0.6
84.08145	46.8
85.02915	0.8
86.09689	1.0
87.04453	0.4
91.05484	14.2
92.11576	0.3
93.07058	1.1
94.06622	0.4
95.08623	0.9
96.08122	1.0
97.02883	0.6
97.06527	1.1
97.08923	0.8
98.09690	1.5
105.07033	0.8
107.08617	0.8
108.08165	0.5
109.10148	0.4
110.09682	2.5
114.09150	0.9
116.07108	1.6
119.04950	32.4
119.08577	0.7
120.08121	0.8
122.09706	0.4
122.74608	0.3
124.11235	1.0
126.09150	3.0
131.08504	0.4
133.10149	0.5
135.11739	0.6
136.11238	1.2
138.12779	0.8
145.02853	0.4
145.10158	0.5
147.04413	100.0
147.20497	0.4
149.52402	0.4
155.03783	0.4
163.03961	0.4
169.34123	0.4
195.40314	0.4
201.69211	0.4
204.17542	1.1
214.47372	0.4
218.19159	0.4
236.20152	1.4
248.20149	1.5
255.16113	0.7
259.09937	0.4
259.21692	1.1
260.20172	1.8
266.21274	1.1
271.06033	0.8
272.18527	0.5
277.22546	0.7
278.21170	2.6
296.22281	1.8
307.23956	0.5
311.12878	0.4
313.24960	0.5
319.23792	0.7
337.24854	3.2
355.25922	24.7
373.26923	3.3
397.26993	4.2
399.25732	1.2
415.28055	2.9
417.26886	1.3
433.29086	4.7
501.29630	4.2
519.30719	3.1
543.30267	0.4
561.31628	18.8
579.32751	77.9
580.33234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01852	3.3
55.05311	0.9
55.05515	11.0
57.03426	4.4
57.07061	3.4
65.03925	2.5
67.05508	60.2
69.03414	4.3
69.07081	10.0
69.19813	4.3
69.20236	6.3
71.04987	2.6
71.08611	1.8
73.02905	2.3
75.04478	1.2
79.05498	32.9
81.03416	3.7
81.07064	70.2
83.04962	1.8
83.08618	5.5
85.02896	4.2
85.06538	2.2
91.05487	18.3
93.06478	2.3
93.07050	42.0
95.04966	2.2
95.08611	54.5
97.02917	2.7
97.06512	2.2
97.10147	3.6
99.04432	3.5
99.08056	1.4
105.07033	15.7
107.08600	30.3
109.02882	9.6
109.10165	33.7
110.03643	2.9
111.04432	2.5
111.08113	1.4
111.11726	1.4
113.09646	1.5
117.07028	8.2
119.08600	15.3
121.09319	2.0
121.10150	27.1
123.11703	16.2
127.03917	3.9
129.07008	1.5
131.08574	18.9
132.99568	2.0
133.10147	14.5
135.07986	1.1
135.10698	1.6
135.11693	25.8
137.09612	1.7
137.13263	8.1
139.14569	1.0
145.10130	11.3
147.11690	12.4
149.13271	19.1
151.11176	2.6
151.14801	1.7
156.09305	1.0
157.10167	1.9
159.11693	16.1
161.13264	10.8
163.11125	1.2
163.14833	12.7
165.12769	2.5
173.13268	16.1
175.14787	4.6
177.16338	4.4
179.14287	2.5
187.14859	7.3
191.00092	2.7
201.16380	4.4
205.16017	1.6
209.01172	1.4
219.17456	2.0
233.22664	4.4
243.21107	27.0
261.22153	100.0
263.23611	2.0
273.22116	1.5
279.23120	5.6
297.20673	1.0
303.23221	1.5
317.24619	2.2
327.22891	1.2
335.25836	21.8
351.22964	1.5
353.26886	92.4
369.24161	2.5
374.23312	1.1
389.26392	1.4
443.28000	2.5
451.21497	2.8
469.22455	2.8
561.27435	9.7
579.28253	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	579.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01869	1.4
55.05519	7.0
56.96589	1.2
60.77888	0.8
61.02931	1.1
65.03951	1.0
67.05511	13.3
69.03436	1.1
69.07068	3.6
71.05002	1.1
79.05499	13.3
81.03419	21.9
81.07061	14.2
83.04990	2.6
83.08627	3.8
84.80982	0.9
85.02874	1.0
88.59410	0.9
91.05492	12.5
93.07047	11.8
95.04980	7.4
95.08604	6.8
97.02919	1.0
97.06540	1.8
97.10178	2.6
103.05479	1.9
105.03392	1.1
105.07038	12.0
107.04939	1.3
107.08603	7.2
109.06536	1.5
109.10149	4.6
111.08076	1.6
115.05415	1.0
117.07014	2.1
119.08604	8.6
121.10144	8.0
123.08129	1.2
123.11693	0.9
129.07011	2.9
131.04939	2.0
131.08539	5.3
133.02806	1.3
133.06555	1.3
133.10155	6.1
135.04500	1.2
142.07797	1.7
143.04881	1.7
143.08580	1.1
145.02866	1.4
145.06389	0.9
147.04399	2.8
147.08063	1.0
147.11688	6.6
149.06006	1.2
149.09622	4.3
151.11229	1.5
155.08606	1.2
157.06528	2.6
157.10118	1.7
159.04428	5.8
161.02379	3.3
163.03926	16.8
165.12769	2.1
169.06483	1.7
173.02353	11.9
173.05968	3.7
175.03960	1.6
175.11166	2.2
183.08014	1.8
185.06010	4.2
187.03868	10.4
189.05521	2.5
193.10588	0.8
193.12238	4.6
197.06006	1.7
199.03917	6.8
199.07581	2.6
201.05443	3.0
203.03352	1.5
203.07092	1.1
211.11266	0.9
213.05441	10.2
215.06892	1.3
225.09128	1.6
227.07005	1.6
267.13828	23.3
283.13251	2.2
285.10294	1.1
285.14761	1.4
293.11746	3.7
293.14920	1.0
309.14792	2.7
311.12778	9.9
311.16458	6.7
327.15964	3.4
329.13901	1.1
337.14334	4.9
355.15408	100.0
367.17755	1.1
373.16330	2.7
379.49344	0.9
387.18002	4.9
479.52304	1.0
578.77362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03944	3.2
55.01868	3.1
55.05514	8.1
56.96568	1.7
57.03423	2.3
59.62104	1.6
66.85883	1.4
67.05511	20.0
69.03417	2.6
69.07064	5.4
71.05000	2.5
71.57264	3.6
79.05496	22.4
81.02985	2.5
81.03423	31.9
81.07063	22.4
83.04964	4.6
83.08626	4.2
85.06544	2.1
89.03909	3.7
91.05480	31.1
93.07051	19.6
95.04964	9.5
95.08627	8.4
97.06502	2.1
97.10150	2.7
105.07030	20.3
107.04953	3.5
107.08585	6.4
109.06511	2.9
109.10157	4.1
111.04425	1.5
111.08044	1.8
115.05476	1.6
117.03386	2.4
117.07018	2.6
119.08590	14.8
121.10131	8.3
129.07022	7.5
131.08577	8.9
133.02870	3.2
133.06607	1.6
133.10152	15.6
135.04424	5.7
135.11681	2.9
145.02826	5.2
145.10126	3.4
147.04410	2.6
147.11678	12.2
149.06007	2.2
149.09622	7.4
150.33223	1.5
151.11148	1.4
157.06522	4.8
157.10114	9.3
159.04411	6.3
161.02333	9.8
163.03914	43.5
165.12746	2.7
169.06586	2.0
171.04501	1.7
173.02368	15.9
173.05968	5.5
175.11238	10.6
176.11964	10.4
177.12712	3.0
179.39545	1.6
183.08131	2.0
185.05960	4.3
187.03929	25.6
187.07561	2.6
189.05492	2.3
193.12242	11.2
197.05971	2.6
199.03938	8.9
199.07568	2.3
201.05525	5.5
207.13919	3.1
211.07581	3.4
213.05486	19.5
225.05428	5.9
225.14815	2.4
227.07069	2.7
229.14305	1.9
235.07599	1.8
239.07079	4.6
249.12827	2.5
251.40146	1.6
253.08751	2.2
267.13809	20.3
278.77771	1.7
283.13272	2.9
293.11746	2.9
295.13416	1.8
309.14944	5.3
311.12784	9.2
311.16452	5.6
319.13333	3.3
327.16013	4.4
337.14374	53.1
355.15414	100.0
369.17029	15.8
373.16711	1.7
387.18066	2.7
447.19699	1.7
600.13361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01834	1.5
55.05513	3.0
56.05038	1.6
57.03444	3.5
60.04530	15.8
60.04810	0.7
61.02922	2.0
61.03159	0.4
65.03885	0.4
67.05508	6.0
68.04993	1.4
68.99758	1.0
69.03434	16.1
69.03803	0.7
69.07070	2.1
69.92343	1.6
70.06609	1.8
71.01345	0.5
71.04992	1.9
72.04480	1.4
73.02921	3.5
74.06050	0.6
75.65632	0.4
78.68177	0.3
79.05495	3.0
80.05014	6.0
81.03423	13.9
81.07063	6.1
82.06583	2.4
83.08588	1.3
84.04478	0.8
84.08153	3.9
84.37823	0.4
85.02908	21.1
86.06040	1.3
87.00837	3.9
87.04440	1.3
90.05507	1.2
91.03960	0.4
91.05497	3.3
93.05760	0.4
93.07040	2.9
94.06567	5.6
95.04942	0.6
95.08076	0.3
95.08614	4.8
96.04435	1.1
96.08086	1.1
97.02898	9.6
97.10132	0.6
98.06088	1.8
98.20808	0.5
99.04455	4.7
101.02381	0.9
102.05510	0.3
103.03963	2.1
105.01841	1.4
105.07037	1.6
106.06548	0.8
107.08585	1.9
108.08076	1.3
109.02885	11.7
109.06548	0.4
109.10171	1.8
110.06066	2.6
110.09674	0.5
112.07509	0.5
114.05500	1.2
115.03931	0.7
116.07033	1.0
117.01849	0.5
117.06975	0.6
119.04900	1.0
119.08557	0.6
120.08065	1.4
120.08871	0.4
121.10120	1.4
122.09653	0.5
123.11649	0.6
124.07557	0.9
126.09113	0.4
127.03922	13.7
128.07043	0.9
129.01823	1.0
132.06572	4.7
132.08076	0.7
133.10110	0.8
134.09608	0.8
135.11673	0.5
138.09113	0.5
142.08643	0.5
145.04985	2.3
145.10097	0.4
146.08015	0.4
146.09680	0.5
147.03038	0.4
147.04382	2.5
148.04706	1.1
148.11183	0.5
152.10619	0.5
153.01860	2.0
154.02182	0.7
159.02847	1.7
170.11681	0.5
176.09148	0.8
178.12212	0.5
187.06006	1.9
187.07532	0.7
189.05525	0.4
195.02930	0.7
196.03255	0.5
201.98103	0.3
208.20462	0.5
225.12146	0.4
226.21619	1.7
238.21695	2.7
242.82036	0.4
246.22108	0.5
256.22702	4.1
264.23242	1.2
275.21237	0.4
276.23367	3.3
282.24261	0.7
283.05472	0.3
293.22318	0.4
294.24326	4.1
311.05533	1.1
312.05768	1.1
312.25339	13.2
318.22763	0.5
326.07480	0.4
330.26398	78.9
331.26709	0.4
339.08768	0.5
340.09018	1.4
352.08881	0.8
354.26447	1.0
363.08804	0.4
364.09091	0.8
372.27374	2.9
381.09964	0.5
382.09857	1.2
382.25726	0.9
383.11304	1.7
384.11581	5.6
396.11832	0.4
396.25595	0.9
398.25269	0.6
400.26395	1.0
401.12296	1.2
402.12576	3.3
406.39029	0.4
426.12366	0.5
458.15048	0.7
492.31766	2.3
510.14896	0.4
516.31659	1.0
530.23730	0.3
534.32776	22.6
542.29187	0.4
560.18085	1.4
560.29962	2.2
578.20587	3.1
578.31726	100.0
579.32166	0.3
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
53.03945	8.4
55.01867	13.4
55.05516	29.0
57.03441	15.2
57.07070	5.9
61.64991	2.3
65.03942	7.1
67.05507	88.9
69.07072	25.5
71.04996	8.9
73.02911	3.2
77.03905	2.4
79.05496	79.3
81.03423	11.8
81.07059	84.7
82.90360	2.5
83.04987	28.7
83.08621	16.7
85.02866	2.7
85.06548	9.9
89.36627	2.3
91.05485	82.8
93.06471	5.4
93.07050	92.6
95.00549	2.5
95.04971	22.4
95.08603	48.7
97.02914	3.4
97.06542	18.4
97.10189	3.8
99.04453	3.7
99.08077	4.7
103.05444	4.7
105.07032	83.2
107.04958	27.8
107.08599	61.9
109.06512	10.0
109.10173	19.3
111.04442	23.4
111.08056	12.0
115.05436	3.0
116.06247	3.0
117.07033	34.6
119.08590	81.5
119.09451	4.0
121.06532	7.4
121.10144	59.3
123.04355	3.0
123.08075	5.0
123.11721	3.6
125.05995	3.2
129.07008	18.8
130.07816	4.2
131.04898	3.7
131.08560	40.9
133.09135	3.8
133.10133	55.2
135.08058	4.8
135.11702	45.4
137.09653	3.8
142.07852	2.7
143.07596	2.4
143.08549	13.6
145.06476	5.4
145.10132	55.0
147.08118	6.0
147.11682	53.6
149.09628	10.3
149.13254	11.1
153.12743	13.2
155.08583	11.3
157.10114	13.2
159.11714	25.7
161.09563	3.4
161.13248	37.3
163.11183	43.4
163.14853	5.2
169.10120	3.9
171.11702	18.8
173.09647	21.5
173.13260	15.1
175.11090	3.1
175.14850	23.9
177.12794	4.8
181.12265	21.5
183.11792	3.7
185.13203	14.7
187.14868	7.1
189.12666	3.9
191.10641	24.9
195.11673	4.0
197.13431	3.1
199.14832	2.8
209.11705	15.0
213.16441	3.3
227.12791	22.1
228.82768	2.7
231.21078	8.8
241.19533	49.7
257.18970	5.8
259.20572	100.0
261.22229	5.4
265.14349	25.2
267.15787	3.9
275.20117	9.1
277.21649	11.2
283.15396	68.8
285.09476	2.7
299.14923	5.5
301.16461	49.3
315.23160	11.2
333.24307	54.8
335.25943	13.1
340.73297	2.7
393.66141	3.2
421.31091	4.1
431.29565	6.6
449.30576	5.8
467.31351	6.1
506.28223	2.5
513.35883	13.5
523.34229	11.8
531.36963	3.6
541.35254	43.2
559.36310	44.1
577.37140	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	577.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03932	3.6
55.05516	10.0
57.03440	7.8
57.07066	3.5
59.19468	1.3
65.03952	1.9
67.05507	45.7
69.03421	1.8
69.07071	11.4
69.34129	8.7
71.04990	2.1
71.08632	1.7
79.05497	39.4
81.03425	13.0
81.07059	49.9
83.04997	1.3
83.08624	6.4
85.02874	1.0
85.06531	2.1
91.05479	21.9
93.07050	46.3
95.04974	2.3
95.08611	39.9
96.82001	0.9
97.06536	3.8
97.10155	2.9
98.98470	100.0
99.04469	1.7
99.08078	2.0
105.07036	15.5
107.08598	33.0
109.02879	7.7
109.06551	1.4
109.10164	17.3
116.99529	1.8
117.07056	6.1
119.08591	13.9
121.09319	1.9
121.10150	26.0
123.11701	6.5
125.00018	1.1
125.09644	1.6
127.03932	1.4
129.07047	1.3
131.08585	15.1
133.10133	11.9
135.11693	20.5
137.13278	3.7
145.10115	11.4
147.11708	8.6
149.09602	1.5
149.13264	19.0
151.14874	1.2
153.12747	1.5
154.94070	1.3
155.01050	96.1
157.19514	1.0
159.11725	11.2
161.13280	8.6
163.14809	9.2
165.12700	1.5
173.02156	1.5
173.13287	9.6
175.14854	3.3
177.12730	1.7
177.16383	2.9
179.14299	1.8
187.14847	5.9
201.16370	1.3
215.17889	1.3
233.22716	2.7
243.02672	3.1
243.21069	22.9
261.03671	1.7
261.22150	53.9
276.14310	1.0
279.23312	1.6
282.68539	0.9
299.05344	2.3
299.23523	1.0
304.10245	1.0
317.06345	14.3
317.24744	10.8
335.25818	79.3
383.91199	1.0
415.22397	6.8
423.27505	5.2
559.26678	4.9
577.27045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03874	0.6
51.58991	0.7
53.03951	3.7
53.04357	0.6
55.01869	4.4
55.05511	9.2
57.03438	5.8
57.07071	1.7
59.45728	0.6
61.02908	1.2
65.03926	1.3
67.05510	25.4
69.03433	6.1
69.07069	8.9
70.31448	0.6
71.04985	1.8
71.08638	1.0
73.02931	5.0
74.00964	0.8
75.04480	1.4
78.85152	0.6
79.05495	34.3
81.03417	5.6
81.07063	26.3
83.04974	2.4
83.08615	5.0
85.02906	4.2
85.06542	2.0
91.04905	1.0
91.05483	30.9
93.07048	47.2
95.04988	4.0
95.08611	19.8
97.02917	3.2
97.06512	2.0
97.10166	2.0
99.04465	4.2
99.08088	2.3
103.05434	1.0
105.04507	0.8
105.07031	33.9
107.04948	0.8
107.07868	1.3
107.08599	27.2
109.02882	10.3
109.06530	1.0
109.10145	7.7
110.03664	2.8
111.04442	6.0
111.08099	0.9
113.09658	1.3
115.05441	1.1
117.07030	10.8
119.08587	34.3
121.06521	0.7
121.10146	21.4
123.08076	1.5
123.11709	2.1
125.09582	1.4
127.03920	5.9
128.06201	0.9
129.07010	7.5
130.07820	1.1
131.08571	14.0
132.99571	2.9
133.06490	0.8
133.10139	27.3
135.08081	1.1
135.11697	22.0
137.09572	1.5
141.07013	1.2
142.07816	0.8
143.08556	9.6
145.10133	13.6
147.08095	1.1
147.11694	26.8
149.09619	2.4
149.13266	15.8
151.11234	1.8
155.08545	1.5
157.10114	6.7
159.11703	15.0
161.09637	1.3
161.13252	23.8
163.11166	2.1
163.14818	4.8
169.10114	1.5
169.28926	0.6
171.11690	9.9
173.13271	7.6
175.11209	1.2
175.14835	11.0
177.12756	1.9
181.10086	0.9
183.11749	0.9
185.13237	9.3
187.14838	2.0
189.12770	1.6
189.16309	0.8
191.00105	4.1
197.13385	0.9
197.52592	0.7
199.14836	3.9
201.16331	0.9
203.14348	1.9
209.01051	0.8
213.16397	2.3
217.15924	0.8
217.19562	1.8
219.17404	2.1
231.17427	1.7
231.21053	6.2
241.19542	25.2
257.19028	1.4
259.20584	65.6
261.22095	1.0
271.20566	0.9
275.19995	1.3
277.21671	7.7
283.20673	1.0
301.21652	2.6
333.24185	8.5
349.23718	1.3
349.76685	0.7
351.25308	100.0
352.25543	0.9
363.25180	1.2
367.22662	2.1
375.25333	1.9
415.03281	0.8
426.31836	0.8
441.26346	1.0
449.19904	2.9
467.20941	2.4
485.21860	2.0
505.22205	1.0
523.23340	0.7
541.24323	1.2
559.25842	6.6
577.27533	3.2
577.35394	1.3
581.55023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
57.03455	0.8
61.02928	0.8
64.98448	0.5
65.03937	0.5
65.18040	0.5
66.94854	0.5
67.05515	1.2
68.19590	0.5
69.03424	1.0
69.07079	1.9
69.43102	1.3
69.43517	2.4
70.06600	1.1
71.04964	0.6
78.05689	0.5
79.01843	1.0
79.05502	2.4
81.03428	1.7
81.07069	2.1
85.02910	1.8
86.09721	0.6
91.05495	1.1
93.07039	0.8
95.04980	0.6
95.08622	1.4
97.02891	0.8
97.06535	4.7
98.21523	0.9
105.07083	0.6
107.08591	0.7
109.02907	1.1
109.10173	0.6
120.08108	0.6
121.10194	0.5
130.93611	0.5
131.08658	0.9
135.04453	0.9
135.08093	2.0
135.63678	0.5
137.02344	6.3
137.05962	0.6
147.04477	1.4
151.03966	1.4
153.01901	1.8
163.04015	0.7
163.07542	0.7
165.01888	2.0
173.13194	0.5
183.02943	0.9
187.03998	1.0
189.01939	0.6
189.05504	0.7
217.04904	3.1
219.13995	0.7
229.05148	1.0
233.04520	0.7
233.08125	6.5
241.05072	0.8
243.03065	1.3
257.04453	14.9
257.08383	0.6
258.05365	2.3
259.09854	1.0
261.04120	1.8
265.10818	2.3
269.04440	6.6
269.07080	0.5
270.05258	2.7
271.06143	1.6
272.06845	1.3
281.04626	2.1
283.06064	4.7
286.04739	8.0
287.05475	8.4
294.05426	0.6
295.06085	1.5
298.04721	3.3
299.05505	24.3
300.06354	4.2
309.04205	1.3
309.07703	5.5
310.04880	0.9
310.08218	0.7
311.05560	5.4
312.06299	1.3
313.06866	2.4
317.09113	0.6
323.05667	3.6
323.08981	0.7
324.06348	1.4
325.07111	1.3
328.05750	3.9
329.06561	5.2
337.07233	1.0
338.07974	1.3
339.08411	3.0
339.12360	0.7
351.08777	2.3
355.11978	1.8
363.08679	1.2
365.06537	0.7
367.12009	1.1
368.12689	2.0
383.11255	53.6
391.11749	0.8
395.11270	30.2
396.12018	10.4
396.16608	0.8
401.12308	66.2
402.12897	1.0
405.10013	0.8
407.11127	7.0
409.12793	9.9
419.11774	0.7
421.12943	1.0
423.10846	1.7
425.12292	59.3
426.13577	0.8
427.13840	8.3
435.14746	9.2
437.12149	2.6
439.13705	2.4
441.15479	0.6
449.12299	11.3
455.13452	6.7
457.14935	25.1
463.13937	4.8
465.11823	0.7
467.13599	1.4
479.13168	2.7
481.15082	4.7
487.15964	3.5
491.13306	6.1
493.15369	0.8
495.16721	1.2
509.14365	9.0
511.15808	4.4
523.16058	1.1
527.15735	2.4
541.17157	11.5
559.18121	35.3
560.18555	0.7
576.39008	0.6
577.19305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.4
55.05468	0.7
56.04988	0.9
57.03376	1.4
57.15858	0.3
60.04469	0.7
61.02888	0.4
67.05439	1.0
68.99765	0.4
69.03378	0.7
69.97372	1.4
69.97790	0.6
70.02926	0.4
70.06540	0.9
73.02863	0.7
79.05434	0.7
81.03340	1.3
81.06984	0.9
82.06551	0.4
83.04948	0.4
83.60059	0.3
84.04481	0.5
84.08147	14.9
85.02908	3.1
86.05986	0.4
86.09646	0.6
89.75755	0.4
91.05487	2.7
93.06980	0.8
94.06513	0.7
95.04924	0.7
95.08555	0.7
96.04409	1.2
96.08051	0.5
97.02909	2.0
97.06467	0.9
98.09630	0.9
105.06977	0.9
107.04910	0.4
109.02795	1.1
110.09639	0.9
114.05467	0.6
114.09179	0.4
115.03864	0.7
117.06953	0.5
119.04964	4.8
121.02821	0.5
122.09658	0.4
123.04324	0.4
124.11195	0.5
125.02268	0.4
126.09094	1.0
127.03854	0.6
131.04837	0.5
131.08513	0.6
133.06433	0.4
136.07535	0.4
137.05876	0.4
139.03833	0.7
141.06863	0.8
147.04419	14.0
149.02251	0.7
150.12589	0.5
153.01840	41.5
159.04445	0.5
161.05882	0.6
163.03806	0.7
163.07570	0.6
165.01860	3.0
167.03429	2.7
171.02922	0.6
171.04333	0.7
177.01715	1.1
177.05424	0.4
178.12357	1.9
179.03313	0.9
183.02812	0.6
185.05859	1.3
186.07549	1.5
187.07570	12.8
189.05478	11.0
189.09074	0.5
191.03290	1.1
193.04817	0.5
195.02925	9.1
205.04890	0.7
213.05432	1.5
213.08879	0.6
217.04939	0.5
219.02922	0.7
229.08598	0.5
233.04411	0.5
239.04494	0.4
244.12444	0.4
253.05032	0.4
255.06473	1.4
259.05774	0.5
261.03961	0.5
269.08020	0.4
273.07306	0.5
275.21198	3.6
276.19495	0.6
282.05234	8.7
283.06097	3.3
283.09073	0.7
287.05304	0.4
293.08035	0.6
293.22290	1.0
295.06003	0.8
295.09424	0.5
296.07007	0.5
297.03876	1.2
297.07364	0.6
298.04660	0.6
299.05563	0.9
307.06155	0.5
307.09607	0.6
308.06787	0.7
310.04587	1.9
311.05542	25.3
311.09076	1.4
312.06302	0.5
317.22186	2.3
321.07590	1.1
323.05472	3.4
323.09128	1.3
324.06290	1.3
325.07031	1.1
326.07727	0.5
327.08862	0.4
334.04773	0.9
335.05386	0.9
335.09201	0.9
335.23264	1.9
336.05981	0.8
337.07071	0.8
338.07901	0.8
339.08649	27.4
348.05942	0.4
351.04410	0.6
351.08652	12.3
352.09421	1.2
353.06485	1.7
353.10266	1.7
353.24310	0.9
355.11710	1.0
363.08643	11.4
365.10202	1.6
371.26028	0.5
375.08591	0.9
377.10580	2.0
377.24362	0.9
380.24582	0.8
381.04846	0.9
381.09714	13.7
383.11273	100.0
385.14813	0.8
391.11746	1.0
393.09634	1.1
395.11246	2.5
395.25421	3.3
398.25354	1.6
399.25861	2.5
401.12338	50.6
405.09683	4.5
407.11240	1.0
409.12973	0.5
411.10553	0.5
413.26450	0.6
416.26462	0.5
417.26575	1.1
419.11566	0.6
425.12268	4.1
429.09570	0.7
431.27487	0.5
437.12396	0.5
439.13699	1.8
447.10638	2.0
449.12210	1.4
457.14960	4.4
465.11807	2.3
481.15091	1.1
481.26852	0.4
483.13019	2.2
491.13321	1.1
493.15070	0.7
499.28299	0.5
501.14029	1.2
501.55008	0.4
509.14572	1.7
511.16443	0.7
523.16589	0.7
527.15265	2.2
541.17297	2.6
541.29095	0.8
545.15973	0.5
559.14978	18.6
559.30298	5.1
577.19287	24.7
577.31158	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	577.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01879	2.5
55.05521	1.3
56.05024	1.1
56.96563	1.0
57.03444	3.6
61.02948	1.7
62.03646	0.9
63.57827	1.1
67.05509	3.2
68.99417	1.2
68.99796	1.4
69.03446	4.4
69.07071	1.8
70.02974	1.1
70.06612	4.6
71.04990	1.1
71.57125	1.3
71.57492	1.4
72.08176	3.0
73.02930	1.8
74.06101	1.3
79.05518	3.4
81.03423	5.1
81.07068	3.7
82.06538	1.2
83.04976	1.7
84.04554	1.4
84.08154	9.0
85.02908	12.7
86.06079	2.1
86.09726	4.2
86.55161	1.2
86.89528	1.0
87.04419	1.0
91.05489	5.3
93.07084	4.3
95.08629	1.5
97.02927	4.3
97.06554	3.3
98.09732	1.1
105.06400	1.1
105.07057	4.6
107.04958	1.7
107.08608	1.6
109.02917	2.8
114.05623	1.1
117.06995	1.3
119.04984	3.8
119.08573	2.4
120.08150	2.5
121.02917	2.5
121.06479	1.1
121.10217	1.5
127.03947	1.8
129.07024	1.5
131.08582	1.2
133.06558	1.8
133.10176	2.4
135.11646	1.3
137.06027	5.1
141.07123	1.9
145.06500	1.2
147.04425	11.2
151.03986	1.2
153.01842	18.2
157.06592	1.9
159.03188	1.2
159.08168	1.4
161.06029	2.5
161.09575	1.1
163.03990	2.6
163.07628	1.6
165.01830	7.2
167.03404	8.2
167.08624	1.2
171.03024	1.6
171.04454	2.4
173.05980	1.5
175.07613	2.5
177.01936	4.7
177.09010	1.3
179.03508	3.4
183.02963	3.2
185.06079	4.7
186.07791	3.4
187.03975	1.3
187.07593	11.2
189.01860	1.8
189.05496	15.3
189.09183	1.5
191.03503	3.0
193.05075	1.1
195.02910	36.3
201.09306	1.2
205.01335	1.6
205.05003	1.8
207.03008	1.6
213.05571	2.2
213.09164	1.4
215.03554	1.3
217.05029	2.4
219.02969	3.2
219.07954	1.3
225.05746	1.1
229.08827	1.3
233.08037	1.3
235.92471	1.0
243.06787	1.4
251.10895	1.4
253.04944	1.3
253.08763	1.2
255.06641	3.1
259.06201	2.9
259.09784	2.4
261.04166	3.1
266.05902	1.3
266.09152	1.1
267.06714	2.4
279.10193	1.7
282.05426	1.6
283.06485	1.7
283.09772	4.2
285.11224	1.4
293.08353	1.4
295.06281	2.7
295.09836	3.8
296.10635	1.8
297.07803	1.7
299.05679	2.2
305.08289	1.4
306.09030	1.3
307.06293	2.4
307.09753	2.2
308.06934	1.4
309.07690	1.7
310.04788	4.4
311.05582	12.6
311.08920	1.6
311.12601	1.5
313.07382	1.8
313.14355	1.8
321.07947	1.9
321.11465	1.8
323.05688	12.4
323.09341	3.6
324.06491	4.4
325.07269	2.6
325.10776	4.0
327.09042	1.8
335.05472	2.9
335.09399	4.6
336.06424	2.9
337.03552	1.3
337.07239	4.4
338.08099	3.2
339.04837	2.1
339.08652	16.4
340.05884	1.9
349.07278	3.6
349.10980	1.9
351.08664	37.1
352.09424	2.4
353.06674	10.0
353.10464	7.4
355.12009	4.3
357.09753	4.9
357.13580	1.7
361.06998	1.3
362.07892	1.3
363.08652	37.4
363.12967	1.9
365.10367	7.0
367.07980	1.7
367.12103	1.8
375.08795	3.1
377.06323	2.0
377.10535	7.5
379.08292	2.5
381.09702	49.8
383.11255	31.0
391.12079	4.9
393.09933	3.0
395.11520	8.2
395.25574	1.2
398.25537	3.4
399.25830	6.4
401.12369	64.1
405.09738	16.1
405.14484	1.1
407.11301	5.4
409.13095	2.8
411.10999	2.6
415.14005	2.3
417.09921	1.7
419.11597	1.9
423.10931	1.5
425.12332	16.5
427.14029	3.5
429.09991	1.9
435.10455	2.2
437.13007	1.3
439.13821	6.6
447.11096	5.2
449.12402	7.1
455.13602	1.9
457.14954	25.5
457.20682	1.8
463.14172	2.4
465.11884	10.9
481.15195	4.6
483.12988	8.0
491.13501	2.6
501.14120	5.0
505.14740	1.5
509.14410	8.0
511.16434	3.7
523.16241	2.8
527.15765	4.8
541.17401	7.1
545.16974	3.0
559.18323	30.2
559.30176	4.1
577.19360	100.0
577.30597	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	577.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	0.3
55.05445	0.4
56.04974	0.4
57.03353	0.3
60.04459	0.3
65.03848	0.3
69.03373	0.6
69.06985	0.4
70.06482	0.9
71.57277	0.5
73.80700	0.3
79.05411	0.4
81.06973	0.7
84.08024	4.0
84.08565	0.5
85.02779	1.1
86.09623	0.7
91.05366	1.5
93.06992	0.3
95.08485	0.5
97.02819	0.8
97.06432	0.7
98.09603	0.8
105.06895	0.6
107.04839	0.9
107.08502	0.4
109.02724	0.5
114.05428	0.4
119.04956	2.3
121.06414	0.3
121.10089	0.4
133.10034	0.4
136.39197	0.3
139.03778	0.5
141.06976	0.4
147.04413	5.2
147.11644	0.3
153.01833	40.9
153.02980	1.3
159.07991	0.4
161.05855	0.5
165.01759	0.5
167.03249	0.4
171.02823	0.3
175.03827	0.3
175.07445	0.4
178.12177	0.7
185.05960	0.4
186.07486	0.5
187.07556	11.8
189.05464	7.6
189.09036	0.3
192.18767	0.3
195.02774	1.4
213.05386	0.5
227.06908	0.5
229.08427	0.7
255.06477	1.2
265.04587	0.3
270.05276	0.5
273.07602	0.6
275.21146	1.2
281.04489	0.6
282.05243	8.7
283.06079	3.3
283.09186	0.7
286.04660	0.4
293.08008	0.6
295.06100	0.6
297.03870	1.2
297.07062	0.4
298.04816	0.9
299.05545	0.7
310.04553	1.6
311.05536	23.9
311.09085	2.2
317.22174	0.6
321.07623	0.9
323.05655	2.4
324.06204	0.9
325.07095	0.7
326.07870	0.6
335.09125	0.4
335.23199	0.7
337.07117	0.6
338.07697	0.3
339.08646	26.0
349.07147	0.5
351.08627	2.4
353.06424	1.1
353.10181	0.5
353.24799	0.7
355.11902	0.6
363.08594	1.0
365.10358	0.4
367.17621	0.4
371.25998	0.4
377.09991	0.4
377.24518	0.3
381.09756	3.3
383.11249	100.0
384.11731	0.7
387.96353	0.4
391.11612	0.5
395.11142	0.7
395.25473	1.2
398.25424	1.0
399.25699	1.3
401.12329	52.9
405.09814	1.3
407.11334	0.7
425.12213	0.7
447.10870	0.5
457.14981	1.6
465.11978	0.9
481.15045	0.6
483.12918	0.5
509.14697	0.6
541.17004	0.4
554.54791	0.4
559.14343	20.7
559.30292	1.9
577.19379	4.7
577.31299	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	575.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03945	13.2
55.01874	8.3
55.05516	21.7
56.96554	4.2
57.03189	2.0
57.03440	26.2
57.07066	3.7
59.04996	1.8
61.02929	24.1
65.03938	3.3
67.05508	63.8
68.99803	1.4
69.03432	72.9
69.07072	22.9
69.45461	1.3
70.29530	1.9
70.29877	7.1
71.01347	4.6
71.04992	14.7
71.08622	1.8
73.02909	19.4
73.79254	1.5
79.05063	2.4
79.05498	37.3
79.05951	2.5
81.03420	73.0
81.07059	100.0
83.01320	1.8
83.04986	31.8
83.08623	15.3
85.02908	74.9
85.06528	5.2
87.00821	15.1
87.04447	2.6
91.03954	15.3
91.05479	37.9
93.07044	63.2
95.04978	14.8
95.08054	2.7
95.08614	40.9
97.02896	71.3
97.06522	13.6
97.10159	5.2
98.20901	1.9
98.97575	3.8
99.04456	21.7
99.08086	3.4
101.02391	11.9
103.03940	10.5
105.01879	16.2
105.07039	24.9
107.04971	7.9
107.08600	34.6
109.02892	31.3
109.06522	7.9
109.10153	13.5
111.04456	15.8
111.08096	8.3
113.06071	3.1
115.03912	4.2
115.05462	2.0
117.07024	13.9
119.04926	2.7
119.08578	16.3
121.06491	8.6
121.10123	18.6
123.04415	2.2
123.08111	3.2
123.11702	12.7
125.09653	1.7
127.03923	51.3
129.05486	13.5
129.06982	5.4
131.00185	1.9
131.04970	2.7
131.08556	19.5
133.06462	6.2
133.10135	18.6
135.04401	2.6
135.08084	3.9
135.11700	19.6
137.05978	2.1
137.09595	2.4
137.13260	6.8
139.03937	1.9
141.05426	1.9
141.07010	1.7
143.08594	4.2
145.04956	12.9
145.06491	3.2
145.10091	6.7
147.03087	1.7
147.04430	4.2
147.08064	2.3
147.11708	14.6
149.01216	2.9
149.05956	1.5
149.13264	35.3
151.11104	3.3
155.07091	2.0
155.08568	3.6
156.03633	2.2
157.10144	5.0
158.99628	1.9
159.02917	2.8
159.06642	1.7
159.08058	2.2
159.11703	27.1
161.09714	2.5
161.13274	5.0
163.03906	1.9
163.11156	3.9
163.14801	2.5
165.12743	5.4
167.14359	1.8
169.10132	2.9
171.06552	2.4
171.11652	1.8
173.04466	3.8
173.09575	1.7
173.13243	4.5
175.11177	2.5
177.12755	17.4
177.16386	2.2
179.14264	2.5
183.06586	20.0
183.08119	3.1
183.13881	1.9
185.13211	2.9
189.12715	2.0
193.12227	3.5
195.13811	36.6
197.13295	2.8
201.07581	9.4
201.12772	2.3
201.16476	1.7
207.13911	1.9
213.14827	14.4
217.19670	2.7
219.13820	3.1
231.04984	3.6
233.15327	2.7
239.14279	1.9
247.17070	2.3
249.14870	1.7
251.16489	1.8
257.15332	2.9
261.14920	5.3
267.15936	4.2
269.17480	66.3
273.14590	1.8
273.25687	2.7
275.16440	4.4
275.20062	4.6
285.14792	3.0
291.26752	2.1
293.17749	2.4
297.16983	3.6
303.15897	5.2
305.17661	1.8
311.18738	2.0
321.16904	7.2
325.12192	5.2
325.62613	2.4
335.18341	2.5
339.18048	21.4
347.65527	1.7
349.23730	3.0
353.19363	2.9
365.19687	2.8
374.15964	3.8
374.66068	2.5
377.19629	13.4
395.20691	29.7
413.21710	71.4
521.23480	2.9
557.25623	3.4
575.26825	24.2
575.35266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
56.05036	5.9
60.04533	0.5
62.17574	0.4
67.05503	1.3
68.05042	0.7
69.03424	0.6
69.07079	0.6
70.06252	0.5
70.06605	7.5
71.57167	0.5
72.08159	1.0
73.02921	0.5
74.06116	0.4
79.05490	1.5
80.05019	0.8
81.03434	0.6
81.07070	1.4
82.06584	1.4
83.04963	0.6
84.04491	0.6
84.08147	97.7
85.02904	1.2
86.09711	1.8
91.05481	1.8
93.05808	0.4
93.07040	1.3
94.06578	1.7
95.04973	0.9
95.08607	0.8
96.04498	0.4
96.08150	2.4
97.02880	1.1
97.08912	3.3
98.09696	3.0
98.97574	0.8
104.05343	0.6
106.06557	0.7
107.08617	0.6
108.08140	1.6
110.06057	0.9
110.09684	5.2
111.05614	0.5
112.61782	0.4
114.05592	0.4
114.09177	1.8
119.04958	1.6
120.08140	0.7
122.09686	2.2
123.10449	2.0
124.11236	1.6
126.09167	4.1
129.10258	1.0
132.08142	0.4
134.09660	1.4
136.07549	0.7
136.11234	4.0
137.12022	0.5
138.12831	0.8
142.73979	0.4
147.04413	5.5
148.04778	0.8
148.11227	1.1
150.12779	1.6
158.09653	0.5
164.10669	0.4
164.14389	0.8
172.07634	0.4
173.13023	0.4
174.12781	1.3
176.10710	0.8
176.14336	2.0
178.12291	1.3
178.15967	1.4
183.14940	1.2
188.10825	0.4
188.14403	0.9
190.12312	1.5
190.15955	1.2
192.13850	1.0
192.17502	1.3
193.18282	0.4
194.11768	0.4
202.15883	0.7
204.17471	3.3
206.19055	0.5
208.13287	0.4
211.14485	1.1
212.12808	1.1
216.17398	0.4
218.18973	0.5
219.01823	0.5
219.18593	0.9
220.36185	0.4
221.20126	0.9
222.18616	0.5
235.21855	0.9
236.20143	1.7
244.13310	0.4
246.18588	0.6
255.18597	0.5
263.21268	1.4
268.13330	0.8
271.21567	0.7
273.19604	2.6
275.21243	2.3
286.14420	0.8
287.21323	0.7
289.22809	1.8
291.20813	3.1
299.21359	0.6
304.15533	1.0
305.22339	1.0
309.22076	0.4
311.20996	0.6
317.22195	3.0
323.21118	0.6
329.22174	0.7
331.23779	2.5
333.21716	0.6
334.22424	0.5
341.22336	1.6
343.19751	2.4
343.23520	0.5
347.23502	0.6
357.88629	0.5
359.23376	1.2
365.22391	1.7
383.23242	2.3
384.21768	0.9
401.24344	1.9
407.25015	0.4
419.25360	3.7
425.24475	1.0
437.26541	7.5
443.25577	1.9
455.27664	1.2
461.26511	3.7
479.27634	6.1
485.16769	0.4
497.28616	10.1
515.29578	4.7
539.29736	2.1
544.64972	0.5
557.22632	0.7
557.30725	24.1
575.31787	100.0
576.31866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
56.05036	5.9
60.04533	0.5
62.17574	0.4
67.05503	1.3
68.05042	0.7
69.03424	0.6
69.07079	0.6
70.06252	0.5
70.06605	7.5
71.57167	0.5
72.08159	1.0
73.02921	0.5
74.06116	0.4
79.05490	1.5
80.05019	0.8
81.03434	0.6
81.07070	1.4
82.06584	1.4
83.04963	0.6
84.04491	0.6
84.08147	97.7
85.02904	1.2
86.09711	1.8
91.05481	1.8
93.05808	0.4
93.07040	1.3
94.06578	1.7
95.04973	0.9
95.08607	0.8
96.04498	0.4
96.08150	2.4
97.02880	1.1
97.08912	3.3
98.09696	3.0
98.97574	0.8
104.05343	0.6
106.06557	0.7
107.08617	0.6
108.08140	1.6
110.06057	0.9
110.09684	5.2
111.05614	0.5
112.61782	0.4
114.05592	0.4
114.09177	1.8
119.04958	1.6
120.08140	0.7
122.09686	2.2
123.10449	2.0
124.11236	1.6
126.09167	4.1
129.10258	1.0
132.08142	0.4
134.09660	1.4
136.07549	0.7
136.11234	4.0
137.12022	0.5
138.12831	0.8
142.73979	0.4
147.04413	5.5
148.04778	0.8
148.11227	1.1
150.12779	1.6
158.09653	0.5
164.10669	0.4
164.14389	0.8
172.07634	0.4
173.13023	0.4
174.12781	1.3
176.10710	0.8
176.14336	2.0
178.12291	1.3
178.15967	1.4
183.14940	1.2
188.10825	0.4
188.14403	0.9
190.12312	1.5
190.15955	1.2
192.13850	1.0
192.17502	1.3
193.18282	0.4
194.11768	0.4
202.15883	0.7
204.17471	3.3
206.19055	0.5
208.13287	0.4
211.14485	1.1
212.12808	1.1
216.17398	0.4
218.18973	0.5
219.01823	0.5
219.18593	0.9
220.36185	0.4
221.20126	0.9
222.18616	0.5
235.21855	0.9
236.20143	1.7
244.13310	0.4
246.18588	0.6
255.18597	0.5
263.21268	1.4
268.13330	0.8
271.21567	0.7
273.19604	2.6
275.21243	2.3
286.14420	0.8
287.21323	0.7
289.22809	1.8
291.20813	3.1
299.21359	0.6
304.15533	1.0
305.22339	1.0
309.22076	0.4
311.20996	0.6
317.22195	3.0
323.21118	0.6
329.22174	0.7
331.23779	2.5
333.21716	0.6
334.22424	0.5
341.22336	1.6
343.19751	2.4
343.23520	0.5
347.23502	0.6
357.88629	0.5
359.23376	1.2
365.22391	1.7
383.23242	2.3
384.21768	0.9
401.24344	1.9
407.25015	0.4
419.25360	3.7
425.24475	1.0
437.26541	7.5
443.25577	1.9
455.27664	1.2
461.26511	3.7
479.27634	6.1
485.16769	0.4
497.28616	10.1
515.29578	4.7
539.29736	2.1
544.64972	0.5
557.22632	0.7
557.30725	24.1
575.31787	100.0
576.31866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79963	2.3
52.09129	2.1
53.03934	14.0
55.01863	11.2
55.05517	26.0
57.03441	27.3
57.07068	5.1
57.51836	2.5
61.02928	30.5
65.03963	3.7
67.05505	65.3
69.03080	4.7
69.03434	78.0
69.07069	29.9
71.01376	3.6
71.04360	2.2
71.04990	15.7
71.56652	2.8
73.02927	22.1
79.05492	45.4
81.03423	76.2
81.06579	5.5
81.07058	100.0
82.07413	3.2
82.78614	2.5
83.01336	4.0
83.04983	35.8
83.08611	20.4
83.55714	2.5
85.02909	70.4
85.06533	6.2
87.00832	7.9
87.04498	3.6
91.03947	16.7
91.05484	42.2
93.07046	62.9
95.04980	20.1
95.08612	44.9
96.08912	3.4
97.02891	73.7
97.03522	4.2
97.06535	20.3
97.10184	6.4
99.04455	22.4
99.08067	4.5
101.02399	11.8
103.03967	11.9
103.05389	2.7
103.49980	2.5
105.01876	8.6
105.07033	27.6
107.04957	7.9
107.08608	38.6
109.02888	33.2
109.06531	6.1
109.10168	19.3
111.04447	18.5
111.08093	9.3
111.11717	2.9
115.03952	5.1
117.07034	18.2
119.08591	19.2
121.06516	7.2
121.10156	21.6
123.04440	6.1
123.08088	6.0
123.11731	14.9
125.09615	3.3
125.91518	2.3
127.03923	51.0
129.05479	17.6
129.07005	5.4
131.00180	2.5
131.08588	20.4
133.06461	3.3
133.10152	23.1
135.11681	22.2
137.05916	3.8
137.13231	5.5
145.04968	14.2
145.06493	5.8
145.10123	6.9
147.04431	5.1
147.11691	16.2
149.05995	4.0
149.07326	2.4
149.09644	5.9
149.13264	36.4
157.10075	3.6
159.11682	30.5
161.09657	3.9
161.13257	3.5
163.11221	3.2
163.14803	2.7
165.12769	7.4
171.06549	3.0
173.04474	4.2
173.13235	2.9
175.11198	3.5
177.12753	26.0
179.14310	3.6
183.06557	19.2
187.11142	2.7
193.12224	3.5
195.13797	47.4
201.07614	5.5
213.05675	2.6
213.14861	13.8
219.13747	3.7
229.07097	2.8
233.15372	3.5
237.08458	2.8
257.15540	4.9
261.14984	5.6
267.15945	3.9
269.17459	65.4
269.20181	4.5
273.14859	3.5
275.16434	5.6
275.20230	2.4
285.14676	3.3
288.33176	2.7
291.26630	3.4
293.13260	2.4
293.17514	5.0
297.17047	6.5
303.15872	6.0
305.10846	2.9
309.27921	4.2
311.18716	4.3
321.17184	4.8
325.12247	3.7
325.62540	3.1
335.18338	2.6
339.18008	24.7
349.23874	3.6
365.19550	3.2
374.15860	6.7
377.19653	9.0
395.20621	32.3
413.21722	79.4
441.21194	3.5
557.25720	3.7
575.26685	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01868	6.8
55.05509	23.4
55.83225	2.5
56.96570	6.8
57.07069	7.1
58.76218	2.5
59.05004	4.4
61.02929	10.3
65.03924	4.4
66.76783	2.5
67.05507	37.3
67.09900	2.4
68.99776	3.0
69.03431	36.2
69.07070	94.7
69.37605	11.8
69.38031	10.0
70.06592	6.8
71.04989	14.6
73.02911	10.0
79.05488	27.8
81.03420	36.3
81.07056	100.0
83.04986	5.0
83.08621	18.0
84.08140	12.2
85.02905	58.4
85.06531	10.7
86.09716	3.2
87.00847	20.6
91.03957	5.2
91.05482	26.4
93.07047	53.3
95.04977	10.6
95.08609	74.4
96.08136	4.3
97.02892	23.0
97.06533	12.1
97.08900	6.1
97.10184	8.4
98.97556	3.2
99.04452	10.5
99.08087	6.1
99.68875	2.3
105.01892	16.3
105.07034	45.3
107.04980	3.4
107.08588	49.1
108.08119	3.0
109.02886	23.8
109.06535	5.8
109.10151	56.0
110.09658	8.1
111.08062	12.3
111.11736	24.6
119.04942	8.2
119.08569	26.2
121.06503	3.1
121.10149	44.4
123.04378	3.1
123.08141	3.5
123.11705	75.0
125.09652	3.9
127.03922	41.6
127.11187	3.5
129.01836	3.4
131.00177	4.5
131.08556	8.8
133.10153	16.7
135.08072	4.3
135.11705	25.6
137.05995	5.5
137.09633	4.1
137.13263	11.5
139.11168	32.6
145.02919	3.6
145.05022	16.9
145.10139	11.7
147.03094	3.1
147.04405	19.7
147.11703	20.0
149.01248	4.5
149.13245	27.2
151.11182	12.3
151.14832	4.3
153.12756	10.5
156.03584	3.8
159.02864	9.7
159.08110	2.9
159.11700	9.3
161.13255	10.2
163.03906	4.8
163.11203	6.3
163.14890	8.5
165.12772	26.3
167.14410	3.4
169.12273	7.8
169.15866	3.9
173.13264	5.2
175.11160	3.6
175.14859	7.8
177.16368	10.3
181.12291	4.3
183.13789	7.3
187.14848	3.5
189.16269	5.3
191.17894	2.5
201.16470	6.4
203.18015	8.2
213.03952	3.8
215.17862	6.6
217.19580	3.4
224.08034	6.1
231.04947	12.6
233.18999	3.2
238.76758	2.4
245.22638	6.6
252.09297	5.6
259.24295	3.9
261.23138	4.7
271.24234	20.0
273.23203	3.6
275.24753	3.0
277.25369	8.8
289.22485	5.0
289.25299	47.5
291.24274	2.9
295.26270	6.5
302.80234	3.1
305.10657	13.2
305.60852	4.2
307.22897	3.2
307.26309	71.9
325.23859	3.5
325.27502	9.5
333.11987	5.8
361.24371	2.7
379.26190	6.7
397.27200	3.6
415.28174	3.5
513.29651	44.2
555.31091	8.2
573.24225	8.2
573.32562	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.4
55.05516	6.9
56.05025	0.4
56.96570	0.3
57.05821	0.9
63.52220	0.3
65.72073	0.3
67.05515	0.5
69.03433	0.6
69.07073	4.7
69.74331	2.0
70.02954	0.3
70.06602	2.1
72.08160	88.8
74.00523	0.4
81.07061	0.5
84.08115	0.4
85.02899	0.8
86.09709	100.0
88.04001	1.0
91.05472	0.4
97.02908	0.4
97.06547	0.5
98.20813	0.4
100.30825	0.3
105.07069	0.4
112.11258	0.6
116.03433	0.7
116.07125	0.7
120.08080	0.3
127.08678	1.2
132.10199	1.0
138.09143	0.7
141.10191	0.5
142.08638	1.3
147.04393	0.5
154.15926	0.7
155.11897	0.4
156.10249	1.0
157.13353	1.7
169.09692	0.5
170.67908	0.4
183.11302	6.2
185.16495	5.4
187.10794	5.2
198.38177	0.4
199.18102	1.3
201.12335	12.5
209.15323	0.4
213.15987	8.1
215.10258	3.1
220.05417	0.3
224.10379	0.3
227.17607	0.6
229.11847	26.2
245.18633	12.1
282.18008	1.0
283.16495	0.5
300.19208	3.8
328.18686	54.6
336.24588	0.4
342.20221	1.7
344.25446	2.4
356.17926	0.5
395.26447	2.1
396.24942	1.1
413.27631	7.4
423.19888	0.4
423.26245	0.7
441.27081	9.9
459.27985	0.6
467.68051	0.4
509.99811	0.4
539.24170	0.4
554.35382	1.1
572.35852	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	572.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.05510	25.7
57.07072	9.8
61.02930	4.0
67.05510	49.6
69.03413	3.6
69.07066	44.7
69.35930	24.8
71.04991	3.2
79.05505	29.2
81.07065	99.4
83.04955	3.4
83.08621	19.5
85.02908	8.4
85.06538	6.6
87.00830	4.1
91.05486	33.3
93.07050	100.0
95.08614	90.9
97.02897	7.1
97.10152	7.0
103.05451	3.7
103.97628	3.0
105.01876	5.0
105.07040	85.4
107.08598	84.6
109.02893	4.5
109.06515	3.9
109.09463	5.7
109.10171	82.5
109.10921	5.1
111.11708	5.4
117.07019	11.6
119.08589	86.4
121.10154	56.0
123.11726	36.2
127.03921	7.2
131.08578	21.4
133.10135	60.4
133.11095	4.5
134.23578	3.3
135.11703	68.8
137.13246	5.9
145.04996	3.7
145.10124	46.5
146.10884	4.0
147.11697	60.6
149.13278	36.9
151.11140	4.2
157.10062	3.2
158.10887	4.1
159.11697	54.7
161.13274	51.4
163.14845	29.6
173.13258	26.0
175.14824	40.4
177.16414	8.8
187.14836	21.7
189.16370	41.0
191.17941	3.3
201.16426	34.5
203.17944	13.6
215.17967	51.2
229.19536	8.6
231.05125	3.4
271.24225	79.6
390.03595	3.3
443.23358	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	571.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
54.98257	2.3
55.01874	11.4
55.05513	30.4
57.03410	2.8
57.07072	2.8
61.44641	2.4
65.03942	2.9
67.05171	4.1
67.05506	60.0
69.07069	34.1
71.04991	4.5
71.57412	2.5
72.06339	2.1
79.05496	35.8
81.07063	61.4
83.04970	7.1
83.08617	15.0
85.06543	3.4
91.05484	33.8
92.79077	2.5
93.07043	46.4
95.04971	4.1
95.08611	59.4
97.06535	24.2
97.10145	15.2
99.08084	3.9
105.07025	43.0
107.08604	32.2
109.06523	2.8
109.10155	27.4
114.39220	3.2
116.62381	2.5
117.07021	19.7
119.08582	47.2
121.06523	3.1
121.10150	24.9
123.08086	4.3
123.11708	7.7
123.43774	2.2
125.09630	8.2
128.06216	4.8
129.07039	17.1
131.08572	43.6
132.39987	2.7
133.10127	29.8
135.11696	14.8
137.09622	3.8
139.11183	4.5
141.06969	7.1
142.07758	3.5
143.08568	20.8
145.10133	37.4
147.11681	23.2
149.09633	3.5
149.13251	9.8
155.07436	2.7
155.08493	12.4
157.10141	18.5
159.11699	25.9
161.13275	11.3
163.11275	3.7
163.14809	3.0
167.08542	4.8
169.10092	12.4
171.11679	20.1
173.13268	17.5
175.14854	4.5
177.12776	2.9
179.14250	2.4
181.10088	3.2
183.11697	12.8
185.13266	16.7
187.14838	6.3
189.11232	2.7
189.16418	2.7
195.11707	6.1
195.13678	2.1
197.13290	11.8
199.14815	8.5
201.09409	2.3
201.16371	8.2
207.11690	3.1
207.13901	2.6
209.13286	5.5
209.15230	2.7
211.14749	4.7
213.16345	4.3
215.17928	4.0
223.14746	5.0
225.16364	2.7
227.17926	4.4
229.19579	2.7
237.16367	3.8
237.18706	2.6
239.17998	3.4
241.19531	4.2
249.18558	2.8
253.15939	3.2
261.18607	3.0
263.20053	4.0
275.20026	11.5
277.21652	15.3
279.23163	3.1
289.21729	3.9
301.21689	3.6
303.23114	3.1
313.21506	3.8
315.23257	4.7
317.24768	4.9
343.26205	3.5
355.26376	4.3
357.27975	3.9
369.28030	4.8
383.29276	5.6
385.30688	11.2
397.30634	3.9
399.32507	5.8
406.81677	2.8
409.31061	3.0
423.32602	9.5
439.35757	5.8
441.33612	10.1
447.33160	3.7
457.36819	5.1
459.34760	47.6
473.35867	5.4
483.34818	3.8
513.39258	6.2
517.40265	8.7
535.41357	27.0
553.42548	100.0
571.37067	3.8
571.43799	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	571.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01856	13.8
55.05312	3.2
55.05515	37.5
67.05180	3.7
67.05505	63.8
69.07072	35.3
69.83891	19.3
71.04962	5.6
78.01979	2.8
79.05497	30.2
80.12763	2.8
81.07056	62.2
83.04960	5.4
83.08614	22.9
85.06513	3.5
91.05493	39.1
93.07052	46.3
95.04972	6.6
95.08611	56.2
97.06529	21.2
97.10159	17.6
105.07027	43.4
107.08599	33.0
109.06554	4.3
109.10153	30.0
111.08112	4.0
117.07000	16.9
119.08591	40.5
121.10158	21.6
123.08044	4.6
123.11707	7.7
125.09621	9.1
127.30849	3.1
129.07045	14.7
131.08569	39.9
133.10126	27.4
135.11685	14.5
137.09589	4.5
141.06973	5.7
142.07791	4.2
143.08566	19.0
145.10101	30.3
147.11679	18.0
149.09601	3.5
149.13239	8.8
155.08525	10.8
157.10127	28.3
159.11684	24.8
161.09595	4.1
161.13254	14.6
169.10110	14.9
171.11662	14.8
173.13246	16.1
175.14745	3.3
181.10147	6.1
181.92957	4.1
183.11671	14.0
185.13248	14.2
187.14798	7.6
189.11160	4.3
195.11748	5.8
195.13881	3.3
197.13274	13.0
199.14789	8.1
201.16402	4.9
209.13264	6.3
211.14745	7.7
213.16295	6.5
217.15610	3.0
225.16371	3.4
241.19446	5.2
263.19922	3.6
271.20413	4.5
275.20074	9.9
277.21616	14.4
279.23273	4.7
289.21640	5.2
299.19989	5.4
301.21680	2.9
315.23047	6.2
317.24918	4.6
327.23309	4.4
341.24854	4.3
378.24841	3.2
385.31003	7.7
423.32495	13.5
441.33521	10.6
447.33734	4.9
457.36676	4.2
459.34711	45.8
473.35992	3.4
483.34430	4.8
513.39423	4.9
517.40497	11.3
535.41254	18.5
553.42523	100.0
571.43604	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	571.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44421	0.3
55.05496	0.4
67.03195	0.3
67.05489	1.1
68.09758	0.3
69.07058	0.8
71.22328	0.8
79.05491	1.2
81.07034	1.1
83.08629	0.4
89.06030	0.7
91.05464	1.0
93.07053	2.0
95.08606	0.8
105.07019	0.8
107.08603	1.0
109.10165	0.5
114.87256	0.3
119.08588	0.6
121.10171	0.7
133.08641	0.3
133.10078	0.3
135.11667	0.5
139.85088	0.3
145.82578	0.4
176.30037	0.3
199.23654	0.3
281.13608	100.0
282.13766	0.3
290.47662	0.3
331.93320	0.4
565.90717	0.5
571.36005	3.6
571.46564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
55.89504	0.5
56.96563	0.6
69.07072	0.6
71.56691	0.7
79.05499	0.9
81.07063	0.9
89.06019	0.5
91.05498	1.1
95.08630	0.6
109.10167	0.7
119.08578	0.6
152.12798	0.4
163.06068	0.5
203.05319	0.7
259.07874	1.4
335.22000	0.5
409.25690	2.1
457.20413	3.8
471.22064	2.3
553.30328	0.6
571.30884	100.0
572.31158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84080	0.3
53.99963	0.4
55.05518	0.5
56.96555	0.8
63.40609	0.4
67.05494	0.5
70.06594	0.6
70.69035	1.1
79.05492	0.9
81.07071	0.8
91.05501	0.6
93.07076	0.9
95.04959	0.4
95.17631	0.3
98.97563	0.7
107.08647	0.6
109.10167	0.6
117.07008	0.4
119.08605	0.7
121.10179	0.6
133.78322	0.4
135.41988	0.4
142.04811	0.4
147.04463	0.5
147.23825	0.4
161.92104	0.4
185.04333	0.5
191.99298	0.4
209.11559	0.5
225.92542	0.4
259.08005	0.8
337.09378	0.4
341.22858	0.4
409.25723	1.3
431.18704	0.7
457.20554	4.4
471.22000	2.5
571.30890	100.0
572.31177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01864	1.2
55.05519	10.5
56.05046	4.5
57.07075	5.4
60.04531	77.1
65.03928	0.9
67.05171	1.2
67.05506	16.5
69.07075	15.6
70.06584	2.3
71.08650	4.2
71.08949	0.7
72.04503	3.3
73.32054	0.9
74.06068	3.8
79.05495	8.3
80.05011	2.1
81.03404	2.8
81.07064	16.5
82.06580	2.6
83.04929	0.9
83.08228	0.8
83.08633	10.4
84.08129	1.0
85.10210	1.8
86.06068	2.8
89.06046	6.4
90.05551	3.5
91.05489	10.4
91.29618	0.9
93.07047	9.4
93.22377	0.9
94.06596	5.6
95.04971	2.5
95.07343	1.9
95.08612	15.8
96.08117	2.5
97.06544	2.2
97.10173	6.5
98.06065	2.3
99.62807	0.9
105.07056	6.1
107.08631	4.7
108.08149	1.9
109.10176	7.4
111.08083	1.7
111.11732	1.7
111.35898	0.9
112.07621	0.9
119.08580	5.4
121.10162	5.0
123.08092	1.4
123.11735	2.2
133.08571	2.9
133.10159	3.9
134.09705	0.9
135.11673	2.4
137.09628	1.7
140.21945	0.8
147.11655	1.4
148.54156	0.8
161.13280	1.3
175.94412	0.7
177.11201	1.2
233.22530	1.0
245.22688	4.4
250.25383	2.5
262.25327	32.5
263.23749	6.6
268.26175	1.1
272.25891	9.3
279.94666	0.8
280.26382	31.9
281.24841	1.1
298.27417	10.3
314.26837	2.5
316.28549	1.4
344.27945	1.7
371.22702	3.1
516.47858	4.0
534.48828	18.4
552.49933	100.0
570.51086	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	571.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.5
62.45147	2.2
66.13903	2.5
69.12256	2.2
71.55698	2.4
85.02903	3.0
97.02856	2.8
98.97585	3.9
101.00879	11.2
116.98586	2.9
119.01948	22.2
119.04964	5.6
121.88208	2.4
127.02417	4.5
131.00220	2.8
131.01891	8.3
133.03479	4.3
136.06007	2.0
137.02872	2.7
143.01894	27.2
145.03462	13.7
147.04414	16.6
147.53387	2.5
149.01213	2.9
155.01895	19.3
156.03609	4.8
157.03487	8.7
161.02972	26.9
167.01968	10.5
168.99805	4.2
171.01462	2.3
171.04994	4.4
173.02995	22.0
179.01888	4.5
180.99777	3.2
185.02985	38.4
187.00861	5.1
187.04536	4.6
191.03940	4.0
197.02988	17.0
199.00879	2.7
203.02324	3.5
203.04033	13.8
215.00476	10.2
215.03993	8.4
217.02055	3.8
221.05157	4.1
227.04071	8.8
228.05783	17.0
228.55977	9.0
229.01968	3.9
229.05872	2.6
231.03531	4.9
240.05843	3.1
245.05110	100.0
247.02899	5.2
257.05096	5.0
259.02896	2.3
263.06119	10.0
271.03009	4.6
275.06210	16.9
289.03992	11.2
293.07367	4.0
299.02597	2.8
301.04019	3.6
305.07150	9.5
307.05087	6.7
318.09082	4.2
318.59106	4.1
319.05112	6.1
331.05121	8.0
335.08237	5.3
349.06180	21.0
352.58096	2.5
365.09348	21.5
391.07169	5.9
399.61523	3.3
409.08047	4.5
413.76801	2.4
469.10135	3.4
511.11255	7.2
571.12732	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	570.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	0.7
55.01868	0.8
55.05513	9.7
55.33170	0.7
56.05040	5.1
57.07079	5.2
58.06598	1.5
60.04529	70.6
62.24857	0.7
67.05171	1.0
67.05508	13.9
67.93076	0.6
69.07072	12.0
70.06591	1.9
71.05002	0.9
71.08633	3.5
71.10425	0.6
71.57909	0.9
72.04520	5.0
74.06073	2.5
79.05490	10.3
80.05007	1.2
81.03415	3.3
81.07063	16.3
82.06573	3.3
83.08618	9.8
84.08170	0.8
85.10191	1.6
86.06061	2.5
89.06023	6.8
90.05550	3.1
91.05492	9.7
93.07049	8.0
94.06570	5.4
95.04970	2.7
95.07342	1.6
95.08607	13.3
96.08147	1.8
97.06551	2.1
97.10168	4.7
98.06068	1.3
103.69933	0.7
105.07039	5.5
107.08595	6.3
108.08110	1.6
109.06555	1.1
109.10166	5.2
110.09695	1.4
111.08082	0.8
111.11735	1.3
112.07620	0.7
119.08585	5.6
121.10156	6.8
122.09683	1.9
123.08055	1.0
123.11745	2.0
133.08611	4.1
133.10139	4.1
135.11720	2.4
136.11203	1.1
137.13280	0.9
147.11656	1.5
149.13254	1.2
153.93340	0.6
161.13272	1.2
177.11290	2.3
233.22699	1.8
234.22148	0.8
245.22681	5.5
250.25352	2.8
262.25305	30.9
263.23773	7.6
268.26459	1.3
272.25830	9.5
280.26367	32.6
281.25031	0.7
298.27411	11.1
314.26956	3.8
316.28540	3.0
344.28152	1.3
364.30893	0.8
371.22736	3.6
444.48438	0.7
504.47800	0.9
516.47803	4.2
534.41016	1.0
534.48907	15.3
552.49921	100.0
570.51068	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	570.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.3
56.05007	0.3
57.03403	0.3
61.02913	0.4
67.05466	0.6
69.03372	0.6
69.07037	0.3
70.06603	1.5
71.57622	0.2
72.08107	0.3
73.02901	0.2
75.40796	0.2
79.05495	0.4
81.03384	0.3
81.07013	0.5
83.08615	0.2
84.04472	0.4
84.08114	0.5
85.02864	0.7
86.06058	0.2
86.09661	0.8
87.04501	0.2
91.05452	0.4
93.07037	0.2
95.08577	0.5
97.02878	0.2
97.06469	0.6
98.97551	0.4
104.05276	0.5
105.07011	0.4
106.06548	1.4
107.08585	0.3
109.10153	0.3
111.08032	0.3
112.20660	0.2
116.07086	0.3
117.05740	0.3
117.24251	0.2
118.06557	1.7
120.08060	0.8
125.73976	0.2
130.06480	0.3
131.07256	0.9
131.08510	0.2
132.08093	1.0
133.10129	0.2
134.09564	0.8
136.07619	0.2
144.08028	0.3
145.08842	0.2
146.09651	2.2
147.04344	0.7
151.09879	0.4
160.11197	1.7
162.07825	0.4
162.09148	5.1
163.03879	0.2
172.11118	0.3
174.12735	0.4
176.10704	2.8
177.11508	0.5
188.53230	0.2
190.12267	9.5
202.15904	0.2
204.13843	1.1
206.15407	0.3
213.12337	0.5
218.15430	0.4
232.16884	0.3
241.73274	0.2
244.20593	2.3
246.18622	0.2
259.09677	0.5
272.20084	14.6
274.10809	0.3
290.21158	1.4
316.22650	0.6
327.26544	0.2
334.23755	38.7
335.24130	0.3
336.09103	0.2
346.23755	0.7
364.24857	0.6
378.09937	0.4
390.26099	0.2
408.27457	6.6
473.30466	0.2
570.32733	100.0
571.33124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.03428	1.3
61.02926	3.0
67.05518	0.7
69.03436	2.0
69.07045	0.4
70.06586	3.7
71.57190	0.7
72.08122	0.6
73.02925	3.0
81.03428	0.6
83.08702	0.4
84.04515	0.4
84.08139	0.5
85.02902	3.3
86.09685	2.4
87.04469	16.7
91.03951	1.3
91.05470	1.7
92.05009	4.1
93.05762	0.6
94.06550	0.8
97.02904	2.9
101.02363	0.8
106.06554	1.9
117.05742	1.5
118.06546	11.4
119.07293	1.0
120.08105	1.9
127.03878	0.6
130.06548	1.4
131.07228	0.5
132.08127	1.7
134.09631	0.8
146.09663	0.7
147.04422	0.6
169.61830	0.4
191.64824	0.4
201.05518	0.9
202.15926	4.3
215.13969	1.5
230.15411	48.6
248.16466	4.8
270.43750	0.4
274.10818	0.6
304.19080	11.1
316.19235	0.5
322.20105	5.2
334.20209	3.8
408.23828	8.9
408.28915	0.7
514.47076	0.4
514.84302	0.5
564.93188	0.5
570.29114	100.0
571.29510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04364	0.7
53.03960	1.9
55.01863	2.5
55.05505	2.8
56.96568	0.9
57.03426	3.4
59.04040	0.8
60.04537	1.0
60.08184	0.7
61.02937	1.2
65.03947	0.9
67.05508	3.0
69.03077	1.3
69.03432	18.0
69.07073	5.1
70.06590	3.2
71.05003	1.5
71.07367	1.0
71.08636	46.9
73.02912	1.9
79.05488	2.4
81.03417	9.3
81.07059	2.1
83.04978	2.0
83.08636	0.8
85.02425	1.4
85.02910	18.9
86.09720	4.5
87.00835	7.5
87.04466	3.2
91.05478	2.0
93.07043	2.5
94.06583	1.1
95.05005	1.1
95.08602	1.2
96.35635	0.7
97.02892	15.2
97.06535	2.1
99.04457	3.4
99.08099	100.0
103.04010	0.9
104.10751	5.4
105.01882	8.0
105.07057	0.9
107.08628	1.1
109.02895	6.3
109.10168	1.4
111.04505	1.5
115.03944	4.6
116.07104	0.8
119.04921	1.1
119.08604	1.3
120.08095	1.3
121.06497	1.1
121.10150	0.9
123.04405	0.8
124.07596	0.8
125.00021	2.6
125.09608	1.0
127.03925	10.3
129.01839	0.8
129.12759	12.2
133.04977	2.4
145.04980	4.1
147.04416	4.1
148.04803	1.0
150.07646	2.2
155.14297	1.9
159.02890	2.3
161.04599	0.8
165.05447	1.0
172.03888	1.7
173.15388	98.4
177.05510	1.2
184.07339	6.1
193.12325	0.8
204.06560	2.1
213.03986	1.1
223.06146	0.8
227.12866	1.4
231.05055	2.3
241.06950	1.1
325.11765	1.5
327.07056	1.8
345.08267	2.8
363.09274	1.3
406.31540	1.6
412.21292	1.3
509.41745	0.8
538.21954	2.0
552.34845	3.1
570.20184	1.8
570.36749	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	569.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03947	3.3
55.01865	3.7
55.05270	1.4
55.05516	21.8
57.03429	2.3
57.07075	1.8
63.12267	0.8
65.03938	2.0
67.05510	31.7
67.64908	0.7
69.03426	2.3
69.07069	23.9
71.04987	3.3
71.43800	1.0
73.06570	0.9
79.05496	37.0
81.03423	3.8
81.07063	34.1
83.04997	4.7
83.08625	13.7
85.06554	1.9
91.05484	34.0
93.07050	45.1
95.04977	15.8
95.08612	27.1
95.09238	1.0
97.06534	7.4
97.10166	6.1
99.08117	0.9
101.06026	1.2
103.05440	0.8
105.07034	37.8
107.04963	11.7
107.08595	22.4
109.06521	2.7
109.10159	8.0
111.08084	2.6
115.05456	1.8
117.06350	0.9
117.07047	13.0
117.21594	0.7
119.08585	31.1
121.06519	3.9
121.09318	1.6
121.10153	23.9
123.08076	2.4
123.11693	3.0
125.09639	2.7
129.07037	5.0
131.08571	16.1
133.06512	1.3
133.09109	1.5
133.10135	28.5
135.08075	11.9
135.11700	9.7
137.09645	2.2
139.11182	10.2
141.06992	1.7
142.07860	0.9
143.08542	5.5
145.10126	17.0
147.08051	1.9
147.11684	18.5
149.09625	13.4
149.13295	4.1
151.11176	1.9
153.09119	0.9
155.08546	3.4
157.10184	7.1
159.11684	12.2
161.09642	1.4
161.13260	6.6
163.11198	14.2
163.14854	1.1
165.09113	1.0
165.12767	1.3
167.08630	0.9
167.10721	0.9
169.10112	4.1
171.11740	6.6
173.09657	1.9
173.13301	6.9
175.11159	1.8
175.14838	3.1
177.12729	1.8
181.10170	0.9
183.11717	4.5
183.13847	0.9
185.13272	3.2
187.11208	1.1
187.14867	2.5
189.12834	1.3
195.11720	1.7
195.13728	0.8
197.13336	4.0
199.14821	2.2
201.12784	1.9
201.16382	0.8
203.12762	7.1
203.14368	1.0
207.13760	1.4
207.63113	0.9
211.14786	1.6
213.16455	2.3
215.14362	1.3
215.17924	1.6
219.13777	2.3
223.13301	4.7
229.19527	3.5
231.21016	1.0
233.15370	1.5
237.14729	4.1
239.17987	5.8
241.19547	2.6
247.17009	1.3
247.20535	2.5
257.19025	10.0
259.20596	6.9
260.80899	0.8
271.20767	0.9
275.20078	100.0
276.20789	5.8
277.18814	1.3
277.21655	15.7
279.12042	5.4
293.21146	23.3
301.21640	3.3
331.87201	1.1
343.26550	1.8
358.94650	1.0
367.30148	2.0
369.27802	2.2
423.32538	1.0
441.33420	1.8
515.38666	1.7
533.40002	2.4
551.41003	6.1
569.33917	4.5
569.41925	9.5
569.56567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
68.34209	0.2
70.81451	0.6
133.03490	0.4
176.97456	0.3
185.04250	0.6
203.05315	1.1
253.13072	0.4
259.07819	1.2
331.10043	1.0
333.20117	0.4
344.06723	0.3
407.24112	1.7
457.20511	2.1
471.22061	2.6
487.21533	0.6
569.29340	100.0
570.29669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
61.37038	0.1
67.05503	0.3
69.03424	0.3
69.07076	0.3
70.06612	0.3
71.54390	0.2
71.57392	0.2
79.05511	0.4
81.03416	0.2
81.07059	0.6
83.01086	0.8
84.01853	0.3
85.02912	0.3
86.09752	0.2
91.05487	0.3
93.07023	0.3
95.01082	0.5
95.08617	0.4
96.01890	0.4
97.06520	0.2
97.35936	0.2
98.97578	0.2
107.04997	0.2
107.08601	0.3
108.93266	0.2
109.10146	0.4
118.92859	0.2
121.10166	0.2
122.71031	0.2
123.11844	0.2
127.03828	0.2
127.12128	0.2
139.03644	0.3
141.10526	0.2
145.05095	0.2
147.04439	0.4
156.03902	0.5
157.04834	0.2
184.03421	0.9
184.07394	0.2
185.04202	1.2
185.21796	0.2
187.84015	0.2
199.55829	0.2
201.03699	1.6
203.05244	1.3
223.13092	0.3
241.06996	0.2
259.07867	2.1
331.10028	1.3
333.20462	1.0
337.16138	0.2
373.14752	0.4
387.16183	0.6
389.22977	0.4
395.14630	0.2
401.17694	0.2
407.24042	3.2
457.20718	0.3
499.21509	2.2
551.27789	0.3
569.29303	100.0
570.29565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92406	0.2
60.83051	0.2
71.07374	0.3
71.07719	0.4
71.40641	0.2
79.51231	0.2
185.04208	0.9
203.05292	0.9
259.07889	1.0
264.18140	0.2
321.16769	0.5
331.10052	0.8
373.14548	0.3
407.23932	2.1
433.10989	0.3
457.20404	0.5
471.22281	0.5
481.24094	0.7
483.22049	5.5
487.21741	0.3
499.21552	0.6
569.29346	100.0
570.29883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13746	0.7
56.96567	7.0
67.05502	1.6
69.03414	0.7
69.41940	5.6
79.05524	0.7
84.96009	0.8
90.66528	0.6
91.37325	0.7
93.07043	0.8
95.10047	0.6
98.97594	7.0
110.97586	1.7
112.99104	6.9
116.98640	2.1
124.99148	0.7
128.98611	2.6
131.00192	7.7
138.06653	0.7
143.00204	1.9
149.01215	6.4
154.01788	1.2
158.99664	3.3
161.01236	2.0
167.02344	1.4
167.94002	0.6
170.99768	1.2
173.01213	1.1
177.00708	3.0
189.00830	1.1
191.02376	1.4
199.02794	1.9
203.02335	1.7
219.01828	1.3
222.87302	0.8
227.02339	0.9
275.04419	3.1
293.05347	8.2
311.06567	1.8
315.16382	6.6
316.07062	1.2
333.17319	12.2
351.18243	5.4
356.18948	1.1
374.19916	1.4
393.19507	3.0
466.61237	0.9
515.32574	0.7
551.25293	3.0
569.27869	100.0
570.27460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.2
62.17503	0.5
67.05495	0.7
70.27619	2.0
80.31387	0.6
82.31131	0.5
84.96053	1.4
89.83496	0.5
95.08649	0.5
95.83171	0.6
95.92813	0.5
98.97595	10.3
105.07056	0.7
110.97590	2.2
112.99137	8.2
116.98592	2.7
124.99146	0.8
128.98584	1.6
131.00188	10.4
140.00226	0.6
143.00188	2.2
146.99635	0.8
149.01231	6.9
154.01759	0.6
158.99699	4.4
161.01233	1.6
167.02255	1.0
170.99643	1.1
173.01280	2.3
177.00722	3.3
184.51051	0.5
185.01242	0.9
189.00710	0.6
191.02299	2.0
199.02818	2.0
203.02237	1.3
209.01305	1.3
214.99663	0.5
217.03889	1.3
219.01802	1.1
237.02750	0.6
263.09521	0.7
275.04303	2.8
275.56558	0.6
293.05463	11.0
311.06512	2.1
315.16278	7.8
333.17419	13.8
334.08090	0.7
351.18414	7.6
356.18979	1.7
374.20187	1.0
375.18457	0.7
393.19641	2.9
522.76434	0.6
527.82794	0.6
540.39716	0.5
551.25287	2.2
551.84845	0.6
569.27179	100.0
570.27087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
54.07031	1.5
55.01859	1.7
55.05516	15.6
57.07074	11.0
59.04988	2.0
60.04493	1.6
63.99684	1.6
65.03924	4.4
67.05178	2.4
67.05509	41.2
69.03413	5.1
69.07076	23.0
69.51810	1.6
71.04986	3.0
71.08622	5.6
79.05495	33.0
80.06293	1.6
81.03432	10.8
81.07059	52.0
83.04970	7.3
83.08615	8.5
85.06526	5.6
91.05481	47.7
92.05789	1.7
93.07049	67.9
95.04975	46.8
95.08611	40.4
97.06541	5.0
97.10161	5.3
99.08093	5.6
103.05446	3.8
105.04512	3.1
105.07034	88.2
106.07858	3.2
107.04936	1.8
107.08601	53.4
109.06512	6.3
109.10154	30.3
111.08079	3.1
111.11724	1.7
113.09621	3.9
115.05444	4.5
116.06236	2.8
117.07021	28.1
119.06097	2.3
119.08588	100.0
120.09338	6.4
121.06537	2.5
121.10150	48.4
122.10389	1.6
123.08067	17.3
123.11758	11.4
125.09650	2.7
128.06210	7.1
129.07005	15.7
130.07780	10.4
131.08572	50.9
132.09380	8.7
133.09117	2.4
133.10132	58.8
134.10889	5.0
135.08049	6.7
135.11685	27.1
137.09613	15.6
138.10423	8.8
139.11206	7.6
141.06987	6.5
142.07770	16.3
143.08565	46.2
144.09328	11.7
145.10135	98.1
146.10849	6.4
147.08086	2.8
147.11690	30.6
149.09583	7.7
149.13258	6.8
151.11171	14.0
155.08559	13.2
156.09361	16.1
157.10139	48.2
158.10931	11.4
159.11699	44.1
160.12457	3.3
161.09599	6.5
161.13306	9.6
163.11185	2.5
163.14813	3.9
165.06979	4.1
165.12770	4.2
166.07817	2.6
167.08569	7.0
168.09325	7.2
169.10155	28.5
170.10925	9.1
171.11716	37.4
172.12370	7.1
173.13269	27.7
174.13794	1.8
175.11159	3.8
175.14816	22.7
177.12753	5.7
179.08580	8.9
180.09311	5.2
181.10117	13.0
182.10939	7.7
183.11679	25.1
183.27344	1.7
184.12424	3.9
185.13261	27.0
186.14047	6.7
187.14774	14.4
189.12721	3.5
189.16370	2.3
191.14258	11.0
192.09320	2.0
192.15088	2.3
193.10179	8.5
193.15919	3.2
194.10928	9.1
195.11693	17.1
196.12479	7.7
197.13271	28.1
198.14017	7.7
198.15686	1.7
199.14830	11.8
200.15497	1.8
201.12726	3.6
201.16447	10.3
203.08585	2.0
203.14319	4.7
205.10184	2.6
205.15918	1.9
206.10934	3.4
207.11748	10.5
208.12401	4.5
209.13289	22.6
210.14014	5.5
211.14853	17.0
212.15614	2.4
212.50891	1.7
213.16299	7.6
217.14314	6.7
217.16063	2.7
220.12404	2.2
221.13283	5.1
221.15349	4.0
222.14114	3.7
223.14828	11.9
224.15546	4.4
225.16422	8.7
226.17091	2.9
229.15874	2.4
231.17599	2.9
233.13228	2.8
234.14061	2.1
235.14767	4.7
237.16335	8.1
239.17920	5.2
241.19499	4.2
243.17566	2.2
245.13202	2.1
247.14822	3.7
249.16397	5.2
251.17902	3.7
253.19600	2.9
257.18912	2.4
259.20599	6.3
260.15527	1.6
261.16379	4.0
262.17252	2.2
263.17871	4.4
265.19482	5.5
270.19699	2.3
271.20508	1.9
275.17856	5.3
277.21680	81.2
279.21045	1.8
282.19809	1.7
283.20450	4.4
285.22073	3.5
291.21088	3.1
297.22208	3.9
305.22552	2.5
309.24265	85.8
323.23590	7.1
337.25189	3.6
338.26050	51.9
351.26962	2.5
357.26001	1.5
362.26065	2.5
420.30579	2.0
430.32367	17.5
476.36508	26.3
499.94662	1.5
568.42743	39.6
568.56415	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	568.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01860	3.6
55.05531	6.2
56.05031	4.5
57.03439	1.5
58.06613	1.3
59.05005	2.6
60.04528	41.8
61.02927	2.3
67.05508	11.7
68.05014	5.7
69.03432	23.1
69.07065	3.4
69.81570	6.7
70.06594	6.8
71.04982	5.3
72.04509	5.5
72.08128	1.8
73.02906	2.1
74.06081	2.1
75.04481	6.6
79.05492	8.4
80.05016	12.5
81.03416	3.6
81.07066	9.8
82.06559	4.2
83.04990	6.5
84.04495	3.9
84.08136	4.5
85.02903	5.9
85.06522	5.2
86.06071	2.5
86.09691	2.5
87.04450	3.0
90.05554	7.5
90.97044	1.2
91.05466	5.7
93.07052	8.8
94.06569	11.0
95.04940	2.4
95.08604	7.3
96.04482	5.2
96.08112	2.6
97.02903	10.3
97.06539	3.2
98.06057	3.9
99.04446	2.0
100.07641	1.5
101.06021	3.6
102.05553	2.2
102.69366	1.2
104.07096	1.8
105.07030	4.1
106.06552	4.4
107.08591	4.2
108.08117	2.2
109.06487	2.5
109.10154	3.7
110.06029	5.7
110.07150	2.0
110.09711	1.5
111.04454	12.3
111.08076	6.1
114.05518	4.1
115.03944	6.1
119.08603	3.7
119.71989	1.2
120.08129	7.2
121.10155	3.8
122.06021	4.9
122.09660	1.5
124.07584	3.0
129.05496	10.3
129.06984	1.2
130.05008	1.7
131.08585	2.2
132.06566	39.2
132.08076	2.1
132.55251	1.2
133.10121	1.6
135.11647	2.1
136.07549	2.6
138.12729	1.6
139.03938	6.9
143.03409	4.3
145.10095	1.9
146.08052	2.6
147.11687	2.3
149.09601	1.7
157.05014	6.1
160.07568	4.3
161.07913	1.8
168.13731	1.4
174.09200	1.4
179.14333	2.7
186.09192	3.0
187.09497	2.7
204.13878	2.5
206.15320	2.4
211.16985	2.1
224.20067	3.8
232.16940	3.0
234.14883	2.1
236.16405	1.5
237.18491	4.9
238.21674	3.0
248.20078	2.3
250.21649	2.4
260.20154	15.2
262.18085	3.6
262.21609	5.2
266.21164	10.4
272.20068	12.0
278.21194	7.1
290.21143	25.4
308.22263	13.0
326.23312	23.8
330.26224	1.7
340.21243	2.0
344.24341	30.5
348.27176	2.4
362.25391	51.0
382.22183	2.5
386.25290	2.2
388.26956	2.4
403.03342	1.6
404.26544	12.0
406.27945	5.2
412.23798	1.7
444.26321	1.4
462.27048	8.1
468.26007	1.6
486.26999	2.9
500.28485	1.8
504.20612	2.4
504.28079	66.8
518.29681	16.7
536.30688	100.0
550.31281	9.8
568.33649	31.6
597.37292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.8
60.04525	2.1
67.05518	0.9
69.03443	1.3
69.07069	8.6
70.06601	5.8
71.57173	0.6
72.08154	0.7
72.84999	0.5
74.16349	0.6
75.05602	1.5
81.07064	0.6
83.06112	4.4
84.04533	0.7
86.06050	1.1
86.09709	100.0
87.04455	2.4
93.04530	2.4
93.07047	0.6
95.06089	3.4
95.08614	0.6
97.02899	0.6
102.05552	0.9
104.07115	5.3
108.31647	0.5
110.07170	57.3
112.03965	9.2
124.90873	0.5
130.04982	0.7
132.06622	0.6
136.07582	0.8
139.05052	0.9
141.06657	0.8
143.11800	8.0
147.04501	0.6
156.07693	70.7
157.07579	0.8
157.09755	1.0
159.09238	0.6
160.07536	0.7
166.06213	1.1
169.06079	4.7
175.08728	1.3
187.07100	0.7
215.10771	1.0
223.15527	0.5
234.12462	0.6
241.08611	0.6
243.10185	1.2
251.15141	2.0
254.14951	2.8
269.16104	15.4
272.16101	5.7
272.97900	0.6
276.10501	0.5
289.39130	0.5
300.15598	15.6
362.15738	0.7
366.14572	0.8
379.36725	0.6
388.23364	0.7
413.23907	3.8
439.26868	0.6
550.20844	1.0
550.29401	4.2
568.30975	50.4
569.30945	0.6
576.46118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01863	1.3
55.05497	2.7
56.05030	1.8
56.80936	0.7
57.03428	2.6
58.20467	0.8
60.04530	0.9
61.02929	11.6
67.05506	5.0
68.05025	1.2
69.03429	9.6
69.07085	1.8
69.84621	4.8
70.06590	6.7
71.04980	2.2
72.04517	1.0
73.02924	6.1
79.05485	5.9
80.05001	1.7
81.02970	1.3
81.03421	13.0
81.07060	7.1
82.06578	1.1
83.04965	3.6
83.08610	4.2
84.04511	4.5
84.08152	1.1
85.02912	12.7
86.06069	31.3
87.04471	19.2
91.03951	6.7
91.05478	4.0
93.07060	8.5
94.06562	0.9
95.04978	5.2
95.08603	3.1
96.08116	1.6
96.32327	0.7
97.02899	8.4
97.06542	3.9
97.10169	0.9
98.06059	43.5
98.20845	1.5
99.04412	1.0
100.11906	0.8
101.02384	0.8
101.78175	0.7
102.05508	1.9
104.07111	19.5
105.07002	3.2
107.08575	3.4
111.08080	2.5
112.07613	6.1
115.03868	1.1
119.08579	3.0
121.10156	6.4
124.07575	3.1
126.05522	10.3
126.09158	1.0
127.03908	1.3
129.06970	1.7
131.08548	3.2
133.10164	2.0
135.08060	1.3
135.11740	0.8
136.07574	1.2
138.12781	2.4
139.11205	1.6
140.07037	2.7
142.08614	3.2
147.11678	3.3
148.07600	1.5
149.09628	18.8
154.08586	3.0
157.10107	1.5
158.08189	3.7
166.12309	4.1
167.10667	1.4
175.11188	3.4
177.12706	1.1
182.15425	0.9
184.13350	4.7
193.12236	14.6
194.15388	0.9
195.13824	2.0
206.15395	3.1
210.14876	4.6
211.13275	2.5
212.16415	1.0
224.16428	5.6
234.14851	3.9
250.17928	2.5
252.15941	25.4
252.18562	1.3
260.16461	3.6
267.15936	8.6
268.19037	1.0
278.17560	6.0
284.18573	1.1
285.16989	17.1
296.18558	3.3
302.19653	0.8
326.19666	1.7
344.20724	10.4
362.17239	1.0
362.21759	30.8
370.22244	11.7
388.23303	58.9
406.24362	2.5
506.25717	1.3
524.27039	18.3
532.27191	2.2
536.27283	1.1
550.28613	100.0
568.29840	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	568.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01877	1.1
55.05518	1.5
55.34565	0.7
56.05036	1.8
57.03442	3.1
58.06554	0.9
60.04537	0.9
61.02934	10.0
67.05514	4.6
69.03436	8.7
69.07063	1.5
70.06601	6.6
70.95640	2.0
71.04996	2.0
72.04520	0.9
73.02916	5.6
78.18870	0.7
79.05489	4.8
80.05021	1.7
81.03419	15.4
81.03867	1.5
81.07061	6.2
83.04978	2.2
83.08617	4.3
84.04511	4.7
84.08151	1.9
85.02918	8.2
86.06071	21.8
87.04472	16.4
91.03963	5.4
91.05501	3.9
93.07059	5.2
94.06581	1.1
95.04971	5.5
95.08608	4.0
96.08127	1.9
97.02874	8.2
97.06561	3.9
98.06065	16.1
101.02408	1.0
102.05579	2.4
102.35578	0.7
104.07117	16.0
105.07040	3.1
107.04982	1.4
107.08614	2.8
109.06520	1.1
111.08084	2.8
112.07624	6.5
115.08149	0.8
119.08609	3.2
121.10148	3.8
124.07597	2.4
126.05508	3.1
126.09145	1.5
127.03907	2.2
131.08577	3.0
133.10126	1.6
138.12819	1.9
140.07059	1.1
142.08644	1.9
147.07962	0.9
147.11705	2.3
148.07597	2.0
149.09630	14.6
149.10744	1.3
157.10126	3.6
158.08128	4.8
159.11736	0.8
165.12811	1.5
166.12306	1.4
174.03197	0.8
175.08620	1.4
175.11203	4.5
177.12761	1.1
182.15385	1.1
184.13371	1.8
193.12254	15.5
193.13863	1.3
195.13815	1.5
202.65697	0.8
206.15404	1.2
210.14857	5.4
211.13321	2.1
220.16913	0.8
224.16429	1.8
234.14967	0.9
245.19101	0.9
250.18042	2.3
252.15967	7.5
258.17041	0.8
260.16443	4.0
267.15952	9.0
268.19009	1.0
278.17636	8.5
285.16965	17.5
296.18512	2.0
302.19446	0.8
309.17041	1.0
326.19437	0.9
342.22864	0.9
344.20691	8.9
362.21704	11.5
363.85919	0.9
370.22452	4.4
388.23309	54.5
390.36902	0.9
524.26624	2.4
532.26782	1.3
550.28632	100.0
551.29279	1.5
568.33875	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	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05510	2.2
56.05032	1.9
57.03441	3.5
61.02932	11.2
65.52151	0.8
67.05499	5.3
69.03436	8.6
69.70177	1.9
69.70586	2.9
70.06590	4.0
71.04997	1.4
73.02921	4.9
79.05496	5.7
79.97810	0.9
80.05036	1.5
81.03428	17.2
81.07068	7.1
83.04977	3.2
83.08635	5.2
84.04507	5.0
84.08168	1.1
85.02912	6.9
86.06073	29.6
86.06606	1.5
86.74734	0.9
87.04472	17.1
91.03990	5.1
91.05478	5.1
93.07047	5.5
94.06560	1.9
95.04971	6.5
95.08600	4.9
96.08167	1.1
97.02911	7.2
97.06522	4.8
97.10169	1.2
98.06056	17.6
99.04505	1.1
102.05566	2.4
104.07110	20.6
105.07047	3.7
107.04978	1.4
107.08600	3.6
109.02841	0.9
109.10170	1.0
110.06101	0.9
111.08096	3.2
112.07610	9.0
117.07001	1.9
119.08572	2.1
121.10140	5.2
124.07619	1.6
126.05534	3.7
126.09155	1.8
127.03916	2.0
129.07025	2.1
131.04271	0.8
131.08582	3.1
133.10104	1.9
136.07623	1.1
137.97937	0.9
138.09143	1.3
139.11168	0.9
140.07124	1.5
142.08669	3.2
145.05000	1.0
147.08075	0.9
147.11693	3.4
148.07613	1.7
149.09627	17.7
154.08701	1.9
157.10110	3.0
158.08168	5.4
159.11726	1.2
165.12756	1.0
166.12312	2.0
175.11185	5.2
177.12807	2.5
181.19003	0.8
182.15375	1.4
184.13362	2.6
192.13730	1.0
193.12265	19.4
195.13739	1.8
206.15437	1.3
210.14906	8.4
211.13324	3.2
224.16541	2.0
234.14969	2.0
240.15846	1.2
252.15947	9.0
260.16534	4.3
265.80844	0.8
267.15942	11.9
268.19028	2.1
278.17563	8.4
285.17001	19.1
287.18298	0.8
296.18582	3.5
309.16953	1.1
314.19614	2.9
326.19788	2.3
344.20728	8.4
362.21747	14.3
370.22229	11.4
388.23306	55.0
524.26764	1.7
532.27722	2.0
550.28595	100.0
568.36188	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	567.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
53.57539	5.4
55.05515	22.4
56.39825	5.9
57.03462	5.9
57.07082	9.1
58.79398	6.0
67.05524	32.7
69.07077	27.6
71.57645	8.9
71.58015	7.2
73.47540	5.7
79.05486	31.8
81.07058	47.5
83.08629	14.8
91.05486	47.8
93.07049	73.7
95.04956	13.5
95.08613	63.8
105.07033	78.0
107.08600	83.9
108.89668	6.4
109.06531	11.1
109.10135	43.6
117.07009	14.3
119.08596	100.0
121.10157	66.6
123.11702	29.2
128.06175	8.6
129.07005	8.8
131.08560	36.0
133.10127	78.1
135.08009	7.2
135.11700	76.3
137.09686	9.2
141.06995	8.4
142.07771	14.3
143.08559	27.2
145.10127	69.5
147.11667	27.0
149.09612	9.4
149.13237	6.9
155.08568	14.5
156.09302	10.4
157.10127	52.3
159.11732	39.9
161.13257	14.4
163.14809	8.3
169.10144	23.2
171.11674	20.8
173.09557	8.4
173.13333	34.1
175.14799	46.1
178.07874	6.2
179.08568	7.4
181.10191	11.1
183.11696	26.8
185.13264	23.3
187.14844	21.9
189.16364	9.0
193.10226	11.2
195.11710	14.5
196.12495	6.8
197.13290	20.7
199.14813	12.2
201.16391	12.9
206.10892	8.0
207.11664	13.0
208.12527	7.0
209.13295	25.6
211.14981	13.6
213.16241	8.1
217.68195	7.7
221.13327	11.0
223.14822	12.7
225.16425	7.9
237.16490	9.6
247.14819	9.6
261.16434	7.1
262.56723	6.7
549.40656	20.5
567.42566	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
54.90573	0.4
55.05501	0.8
55.06465	0.4
56.96571	0.8
57.44564	0.4
67.05504	1.7
69.07081	0.5
70.94647	0.6
70.95012	1.0
79.03838	0.4
79.05506	0.9
81.03441	0.9
81.07060	1.4
83.04984	0.5
83.08627	0.5
85.02930	0.7
85.06511	0.4
86.09708	0.5
91.05486	0.7
93.07039	0.9
95.08609	1.1
97.06535	0.6
107.08569	0.6
109.10147	1.0
121.10175	0.5
131.08604	0.6
135.11742	0.7
136.01251	0.5
159.11681	0.6
184.07478	0.5
185.04259	1.0
207.07353	0.4
245.76418	0.5
259.07858	0.8
275.07397	0.7
305.10544	0.4
331.10043	4.0
331.15820	0.7
342.14520	0.5
349.16806	1.3
364.19119	0.5
373.14639	1.4
387.16437	0.9
387.21347	0.8
405.22452	1.3
455.18927	1.8
469.20471	4.6
498.20297	0.7
523.28894	0.9
539.28156	0.5
549.26752	21.6
567.27673	100.0
568.27795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01884	7.0
55.05266	2.7
55.05515	37.5
55.05781	1.9
56.96583	1.5
57.03441	10.5
57.07080	1.7
65.03940	4.4
66.26189	1.3
67.05509	53.2
69.03426	4.6
69.06722	2.3
69.07070	30.2
71.04996	5.1
79.05497	52.0
81.03431	2.0
81.07063	52.7
83.04987	6.0
83.08617	16.7
85.06552	4.0
91.05486	68.2
93.07049	51.3
95.04987	9.0
95.08611	38.6
97.06538	19.0
97.10173	15.6
99.08096	5.1
103.05480	3.9
105.04541	1.8
105.07036	75.0
107.04946	5.3
107.08598	30.8
109.06522	17.1
109.10149	16.6
111.08085	3.7
115.05476	4.4
115.68791	1.3
116.06252	1.8
117.07018	27.5
119.08582	56.3
121.06535	3.1
121.10152	14.5
123.08077	4.8
123.11716	4.8
125.09639	7.9
128.06215	5.1
129.07024	19.9
130.07753	2.6
131.08578	32.3
133.06425	1.7
133.10141	41.6
135.08081	5.6
135.11714	12.6
137.09624	2.6
141.06985	12.0
142.07776	4.8
143.08578	20.9
145.10123	29.8
147.08061	2.3
147.11700	26.0
149.09599	7.9
149.13252	4.7
151.11218	3.1
153.07034	3.6
154.07784	3.4
155.08569	17.1
156.09340	1.9
156.45850	1.5
157.10164	17.7
159.08066	4.6
159.11691	24.3
161.09650	2.7
161.13280	6.7
163.11171	4.3
165.06985	3.3
166.07816	2.5
167.08569	9.2
168.09354	2.7
169.10120	22.7
171.08060	2.1
171.11687	15.3
173.09682	2.5
173.13254	11.8
175.11176	2.3
175.14819	2.4
177.12738	3.1
179.08572	5.3
180.09343	1.9
181.10139	13.6
181.12311	1.7
182.10942	2.8
183.11703	18.5
185.09683	3.2
185.13249	10.4
187.11205	4.7
187.14818	4.4
189.11284	3.3
189.12782	2.9
190.54811	1.4
191.08524	2.1
191.14320	2.5
193.10168	4.1
195.11723	13.7
195.13573	2.7
197.13293	14.4
199.11163	2.5
199.14833	6.2
201.12804	2.4
201.16400	1.5
203.14418	2.4
207.11731	6.5
209.13255	8.3
211.14836	6.4
213.16464	3.9
215.14372	2.3
215.17867	2.0
217.15953	4.5
219.11752	2.2
221.13280	4.7
221.15413	3.9
223.14862	6.7
225.12669	2.3
225.16422	3.8
229.19588	1.9
229.59705	1.5
233.13261	1.7
233.15355	1.9
235.14902	3.5
237.16454	3.7
239.18018	6.4
249.16364	2.4
251.18140	3.1
255.17548	1.8
257.18973	12.1
261.16336	1.9
273.18488	5.6
275.20084	87.3
277.21906	7.6
285.18625	1.6
289.21750	2.1
291.19547	11.2
297.18521	2.2
311.20120	2.9
313.21692	3.2
319.20740	1.7
325.21680	3.2
327.23306	2.9
331.16031	1.7
335.23795	1.7
339.23053	3.8
341.24918	2.8
349.16995	2.2
351.23010	2.3
353.24860	3.0
355.22659	2.5
361.10648	1.6
365.24643	2.0
367.26419	2.4
377.24686	2.3
381.27863	13.7
391.25574	1.4
405.27927	1.9
419.29254	2.3
423.28705	1.7
433.31323	1.9
437.30353	1.9
441.30875	1.7
453.33978	1.6
455.31467	8.6
459.32574	1.9
461.30164	1.6
477.33704	2.6
479.31149	2.0
481.32941	2.2
495.34671	9.9
498.34167	1.7
513.37390	4.7
521.39777	1.6
531.38324	13.0
549.39362	29.1
567.25531	6.0
567.32837	4.1
567.40411	100.0
568.41132	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	567.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
58.38686	0.3
67.05502	0.8
69.07068	0.4
69.59978	1.5
81.03424	0.4
81.07073	0.4
83.01112	0.3
91.05529	0.3
92.19588	0.2
93.07066	0.3
95.01124	0.3
107.08620	0.3
109.16312	0.3
119.08602	0.4
120.41702	0.2
139.03696	0.3
184.07124	0.3
185.04269	1.0
201.03734	0.7
203.05228	1.3
251.78906	0.3
259.07843	1.8
288.16656	0.3
292.12436	0.3
293.13306	0.3
331.10040	1.9
345.11838	0.3
373.14600	0.3
387.16284	0.7
401.17728	0.5
405.22452	1.6
410.13943	0.3
448.81519	0.2
469.20526	0.4
495.46332	0.3
567.27765	100.0
568.27966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
67.05505	0.4
69.07058	0.4
70.57111	0.5
85.02874	0.3
142.41672	0.3
148.12349	0.3
185.04271	0.7
203.05270	1.7
259.07910	1.5
313.17789	0.4
331.10110	2.8
331.18350	0.4
345.11526	0.6
349.17090	0.3
373.14734	1.1
387.16226	0.8
387.21310	0.9
401.17960	0.3
405.22470	1.6
405.27158	0.3
413.17969	0.6
422.40131	0.3
427.19382	0.5
455.18985	1.1
469.20392	3.9
498.20941	0.4
539.28046	0.4
549.26746	20.2
550.26630	0.4
567.27765	100.0
568.27985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98447	0.2
67.05495	0.4
69.53813	0.9
69.54226	0.4
71.13044	0.2
71.41451	0.2
75.23162	0.2
83.01085	0.3
95.01019	0.3
96.47919	0.2
118.16573	0.2
120.57147	0.2
121.92889	0.2
135.72069	0.2
156.03961	0.2
184.03400	0.3
185.04225	1.0
196.14761	0.2
201.03775	0.6
203.05202	1.3
209.21127	0.2
225.24657	0.2
241.07295	0.2
259.07864	1.6
331.10037	1.1
331.18573	0.2
345.11655	0.4
359.13022	0.3
373.14658	0.3
387.16162	0.7
387.20728	0.3
405.22540	1.9
469.20459	0.7
499.20782	0.3
505.90372	0.2
567.27759	100.0
568.28278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.96547	0.3
61.02934	0.3
67.05514	1.5
69.03436	0.3
69.07081	0.5
70.14831	0.6
71.08627	0.7
73.02933	0.3
79.05489	0.9
80.05861	0.3
81.03402	0.8
81.07047	1.0
82.07404	0.3
83.08630	0.5
85.02895	0.4
91.05468	0.9
92.05830	0.2
93.07051	1.1
95.08645	0.6
97.02876	0.4
97.10194	0.3
98.21558	0.3
98.97550	0.3
99.08085	0.5
105.07033	0.4
107.08583	0.3
109.10158	0.9
119.08591	0.4
119.84920	0.2
121.10132	0.3
125.09649	0.4
127.03888	0.3
131.00179	0.2
131.08614	0.3
133.10152	0.4
135.11751	0.3
139.03641	0.3
142.50470	0.2
146.04111	0.2
149.01248	0.3
151.11208	0.3
157.04865	0.3
159.32658	0.2
173.11830	0.4
179.14349	0.3
185.04236	0.9
189.11215	0.3
199.05807	0.3
201.03760	0.5
259.07895	1.3
269.17383	0.3
275.07449	0.3
278.22034	0.6
327.14240	0.3
331.10056	2.4
331.18738	0.3
345.11530	0.3
351.25397	0.8
352.25586	1.9
359.13004	0.4
365.15723	0.3
373.14404	0.5
387.16293	1.2
401.17868	0.4
403.06818	0.2
405.22415	1.3
469.20285	0.7
499.20938	0.3
539.28424	0.4
567.27728	100.0
568.28180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33680	0.3
56.05003	0.4
56.96584	0.5
61.01130	0.3
61.02937	0.5
61.41801	0.3
67.05499	1.2
69.07072	1.1
70.06602	0.7
71.04990	0.3
71.57397	0.4
79.05500	0.8
81.03426	0.8
81.07059	1.2
83.08611	0.5
84.08163	0.4
85.02903	0.6
85.32682	0.3
91.05472	1.1
93.07044	0.7
95.08599	1.0
97.06543	0.9
98.06059	0.4
98.97603	0.7
104.05334	0.8
105.07031	0.7
107.08595	0.7
109.02862	0.4
109.10181	0.6
114.02205	0.4
117.07001	0.5
119.04903	0.5
119.08598	0.4
120.08103	3.7
123.11713	0.4
137.13196	0.5
146.06355	0.5
147.04449	1.3
149.01244	0.5
163.03992	0.6
163.11140	0.4
174.05901	0.7
184.07448	0.4
187.04083	0.4
203.05281	1.1
210.14906	0.5
224.08150	0.8
235.10774	0.9
259.07761	0.8
259.10104	0.5
260.76178	0.4
263.10175	0.3
289.08649	1.0
291.75958	0.4
305.10672	0.5
305.60992	0.7
327.26569	0.7
331.18719	0.8
355.15555	0.7
357.16272	0.6
405.22580	2.2
431.18839	2.0
539.28125	0.6
567.27771	100.0
568.27783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05508	0.5
56.04782	0.6
56.05039	7.7
56.96562	0.4
57.03438	0.7
61.01157	7.3
67.05503	1.1
69.03425	0.7
69.07056	0.9
69.72387	0.8
69.72800	1.2
70.02959	0.9
70.06596	0.4
71.04967	0.4
79.05491	1.0
81.03432	0.7
81.07051	1.0
83.04964	0.4
83.08620	0.8
85.02914	0.7
86.09708	3.3
88.04000	7.1
89.54212	0.4
91.05479	3.0
93.07054	1.5
95.04986	0.5
95.08619	1.2
97.02919	0.4
97.06543	2.4
98.06056	6.6
98.20798	0.4
98.97572	0.9
100.11256	0.4
100.31865	0.4
103.05468	4.3
104.05341	18.9
104.63910	0.4
105.06998	0.7
107.08611	0.7
109.10168	0.8
111.04478	0.5
116.98515	0.4
119.04977	0.4
119.08558	0.5
120.08114	100.0
127.03931	0.6
130.06540	2.4
131.00162	0.4
132.10228	1.3
133.10155	0.4
141.08777	0.4
144.08073	1.0
146.06355	15.8
147.04427	1.1
163.03931	1.4
172.07565	1.8
174.05861	13.7
175.08661	3.2
182.15382	1.0
190.08649	0.8
200.07149	0.7
210.14966	0.8
217.09727	1.3
220.55385	0.4
224.08125	0.8
228.15628	0.4
229.07365	0.4
235.10782	15.5
245.09212	0.4
259.09821	0.8
263.10321	6.4
279.17047	7.9
283.26251	0.4
289.08539	14.1
305.10846	0.6
305.60919	1.1
357.16016	0.5
358.17542	0.4
375.16916	0.4
376.19067	0.9
390.14255	0.4
394.19650	0.8
408.15857	3.1
436.15286	2.0
503.23206	0.5
549.23792	0.4
567.27722	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	566.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03933	3.6
55.05266	1.2
55.05512	16.1
57.07055	2.0
59.04982	1.2
67.05178	2.0
67.05506	29.6
69.07072	16.0
70.73001	2.3
70.73364	1.1
71.04969	1.4
77.03943	1.3
79.05495	60.5
81.06582	1.9
81.07058	36.9
83.04972	3.2
83.08627	6.5
85.06553	2.6
88.98567	1.1
91.04913	1.0
91.05479	24.7
93.07045	88.0
95.04970	4.1
95.08607	29.1
97.06522	2.3
97.10161	3.3
105.04552	2.2
105.07039	18.6
107.07866	2.5
107.08593	47.0
109.06492	1.8
109.10157	14.2
111.04443	1.9
111.08073	2.6
117.07015	5.4
119.08583	15.8
121.10149	44.8
121.11031	2.1
123.08092	1.1
123.11687	3.2
125.09588	1.6
129.06995	1.8
129.09081	1.1
131.08553	7.5
133.10146	16.0
134.55428	0.9
135.08061	2.0
135.11697	44.9
137.09637	1.6
139.11191	1.2
143.08540	2.4
145.10132	6.7
147.11684	12.5
149.09622	3.2
149.13254	27.1
151.11206	1.9
153.12735	1.4
157.10095	2.3
159.11711	6.7
161.13286	8.3
163.11188	5.7
163.14809	8.2
163.64624	1.1
171.11696	3.9
173.13248	3.4
175.14825	4.9
177.12720	3.0
179.22104	1.3
181.12288	1.9
185.13277	4.2
189.12737	1.5
191.10658	2.5
191.14400	1.0
199.14804	2.8
203.14436	1.5
207.13820	1.6
209.11803	1.8
209.15355	1.9
213.16434	2.1
217.15900	1.8
217.19485	2.7
221.15382	1.2
227.12671	6.1
231.17462	1.8
231.21075	1.6
235.16930	2.9
241.14355	8.2
241.19507	6.1
249.18510	2.4
259.20599	13.2
291.23187	100.0
307.22726	1.5
374.20633	1.1
566.24835	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	566.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01859	3.4
55.05512	16.3
56.96574	2.2
57.03440	10.2
61.02916	6.3
61.35355	1.6
65.03909	2.1
67.05505	46.8
69.03416	5.8
69.07069	15.5
71.04990	3.6
71.08637	16.1
72.03620	1.5
73.02907	3.9
77.09827	1.8
78.29079	1.7
79.05499	26.4
81.03418	9.9
81.07060	54.0
83.04989	9.3
83.08629	14.0
85.02914	7.5
85.06540	2.3
91.03986	2.9
91.04968	1.9
91.05489	20.0
93.07042	43.9
95.04957	7.9
95.08619	19.8
97.02871	7.7
97.06516	9.3
97.10159	6.2
98.20747	3.3
98.97574	2.1
99.04446	2.5
99.08093	15.0
104.04802	1.7
105.07043	16.7
107.04924	6.9
107.08595	18.7
109.02882	3.6
109.06505	3.3
109.10152	7.7
111.08083	6.7
113.09621	2.1
117.07014	8.6
119.08571	12.8
119.96767	2.1
121.10138	11.2
123.11713	4.2
125.09634	4.3
127.03915	5.2
129.07021	6.0
131.08566	9.9
133.10153	11.7
134.09593	2.0
135.08072	2.7
135.11710	9.5
143.08578	2.7
145.10115	5.5
147.04410	3.3
147.11679	6.9
149.09689	1.8
149.13281	16.1
151.11192	13.9
157.10129	3.0
159.11716	17.2
161.13235	7.7
163.11160	6.8
165.12808	2.3
171.11664	2.5
173.11690	5.4
175.14859	2.1
177.12727	23.3
179.14301	9.2
183.07870	1.8
185.13165	2.0
189.11212	2.3
195.13878	8.9
213.14848	2.0
227.12767	5.5
229.14374	3.0
241.19466	2.5
245.13861	3.8
251.16466	5.1
253.18040	2.0
259.20630	5.5
269.17499	100.0
277.21664	16.6
295.22485	3.5
333.24323	2.1
339.18030	3.2
351.21149	2.7
351.25302	47.6
357.15640	2.9
361.14627	2.6
369.26212	7.8
377.19058	2.1
389.18073	3.8
413.21573	4.9
461.20343	2.2
566.26166	7.0
566.40747	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	566.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01866	3.3
55.05512	6.4
56.05026	2.9
57.03446	1.3
58.06589	0.9
59.04999	1.2
60.04530	23.0
61.02918	2.1
67.05512	9.7
68.05016	3.6
69.03426	3.0
69.07077	4.5
70.06590	5.7
71.01340	2.6
71.04982	3.4
71.16510	0.7
71.57312	1.2
72.04504	3.1
72.08149	1.6
73.02922	16.2
74.06075	1.7
75.04487	10.3
79.05493	7.8
80.05019	18.2
81.03435	1.9
81.07067	9.7
82.06145	1.2
82.06580	7.6
83.04970	3.3
83.08614	1.7
83.81635	0.7
84.04522	1.6
84.08135	1.8
85.02879	2.2
85.06535	2.6
86.06080	2.8
86.09702	2.7
87.04483	7.4
88.07641	1.0
90.05547	2.0
91.05486	4.4
93.07054	8.1
94.06573	22.9
95.04944	0.8
95.08610	7.9
96.04475	1.1
96.08129	1.6
97.06551	4.3
97.10178	1.0
98.06057	3.7
100.03986	1.0
101.02390	1.5
103.03942	4.0
103.05444	0.8
104.07117	6.0
105.05479	1.6
105.07055	4.1
106.06564	2.3
107.08598	3.9
108.04507	0.8
108.08118	3.8
109.06528	1.2
109.10188	2.5
110.06043	1.6
111.07458	0.9
111.08080	4.8
115.03925	8.8
116.07116	2.8
117.07005	1.6
119.08604	2.7
120.08110	5.2
121.10157	2.8
122.09669	1.4
123.08092	1.2
124.07626	1.1
126.39581	0.9
128.07066	1.0
129.01863	2.4
131.03419	2.7
131.08496	1.8
132.06534	0.9
133.04976	5.3
133.10156	2.4
134.09648	3.2
135.11659	1.3
136.11235	1.0
143.03375	1.6
145.10109	1.7
146.08156	7.3
147.11725	1.0
148.11244	1.7
149.11766	0.8
159.11679	1.0
161.04468	20.6
161.13257	0.9
162.12759	1.0
171.02847	5.6
179.14333	1.0
180.13829	0.9
189.03938	7.4
203.05594	1.5
206.15445	1.5
208.16995	1.7
218.15344	0.9
220.16907	1.4
221.06624	2.1
224.20148	4.7
234.18466	1.2
236.20091	6.9
244.20625	1.8
246.18553	1.6
248.20189	1.5
254.21172	8.8
256.20773	1.2
262.21783	5.7
264.19638	2.7
264.23251	1.8
272.06525	1.3
274.21622	13.4
280.22586	0.8
282.20590	1.2
292.22739	10.9
300.21701	4.4
310.23767	7.9
328.24835	59.6
340.24829	1.9
346.25882	25.0
350.23282	1.1
354.22382	0.8
356.24310	3.9
358.25800	1.4
364.12595	0.9
368.24292	2.9
370.25955	3.5
374.11032	1.3
378.22800	1.7
386.25665	0.9
396.23834	12.6
410.25641	1.1
414.24887	10.1
428.26456	22.7
446.27512	93.4
447.27954	1.1
564.47363	1.1
566.31732	100.0
567.33032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92927	0.6
56.05030	0.8
57.03434	1.5
60.04506	0.8
61.02914	2.3
62.89533	0.7
65.03934	0.7
68.99506	0.7
69.03432	3.6
70.06590	2.1
71.52240	0.9
72.08141	1.9
74.06052	1.4
81.03429	1.6
84.08139	1.1
85.02911	11.6
86.09723	1.6
91.03934	0.7
91.05477	2.9
97.02888	4.5
98.76474	0.6
109.02863	0.8
110.07175	1.3
119.04951	2.7
123.04426	0.9
125.05951	1.7
127.03931	1.6
131.04922	1.6
137.05945	1.1
138.05481	2.3
143.04918	0.9
145.02824	1.0
145.04929	1.6
145.06488	1.6
147.04413	9.8
149.05997	2.7
151.03906	3.7
153.05501	1.6
155.08186	0.8
159.04440	1.5
160.05269	0.7
161.06000	1.7
163.07529	1.3
165.01826	1.1
167.06990	0.9
169.05116	0.9
169.06523	2.1
171.04408	1.9
175.03868	0.9
175.07516	1.5
176.04684	1.6
177.05463	13.9
180.08571	0.7
181.70744	0.6
185.05954	1.3
187.06052	0.8
187.07613	1.1
189.05524	3.1
191.07037	13.2
195.02867	0.9
195.06543	1.9
197.05901	3.2
199.03946	0.9
199.07339	0.8
200.04639	1.1
201.05539	1.1
203.03613	0.7
203.07124	4.1
203.08759	0.7
205.04956	2.7
207.06496	3.5
209.07976	0.8
212.04749	0.8
213.05560	1.4
214.06274	2.8
215.07022	4.3
216.04224	1.4
217.04999	4.5
217.08487	2.1
219.06509	14.4
219.08536	0.8
221.04489	5.7
227.07053	3.7
229.04988	1.3
229.08629	4.6
231.06650	7.9
231.51892	0.8
242.05856	1.3
243.06573	4.5
245.08148	4.4
255.06532	3.6
257.08188	2.0
259.06000	2.4
261.07559	1.1
273.07590	4.1
277.07196	1.2
287.09277	1.5
291.08585	3.0
295.07993	1.4
305.10208	0.8
309.09738	2.5
319.08051	1.4
323.10968	1.0
337.09183	100.0
351.76166	0.7
355.10260	6.6
369.11618	1.3
387.12891	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.05514	12.0
57.07065	6.2
59.41872	1.6
63.81508	1.8
65.03937	4.8
67.05508	32.9
69.03430	4.8
69.07075	23.5
69.24857	19.3
77.03951	2.4
79.05492	23.9
81.07063	41.7
83.04980	6.3
83.08629	10.6
91.05493	40.2
93.07050	52.1
95.04961	6.6
95.08620	45.3
97.06574	3.8
103.05476	6.3
105.04559	2.5
105.07040	86.1
107.08604	56.7
107.09307	4.2
109.06549	4.2
109.10167	49.6
109.10917	2.4
115.05474	5.8
117.07021	20.9
119.06044	2.3
119.08591	100.0
119.21441	1.9
121.06485	4.1
121.10150	69.4
123.08089	7.0
123.11717	14.5
128.06238	9.4
129.07016	16.2
130.07765	5.5
131.08589	39.2
133.06508	5.4
133.10144	55.1
133.36185	1.8
135.08098	8.6
135.11702	37.0
137.09624	2.6
141.07008	9.3
142.07803	20.8
143.08578	38.9
143.82434	2.0
144.09357	4.6
145.06490	2.8
145.10136	85.1
147.08063	4.4
147.11705	21.8
149.09659	7.6
149.13272	3.7
153.07050	4.2
154.07764	5.5
154.50932	1.9
155.08574	19.4
156.09366	16.6
157.10138	63.9
158.10938	5.7
159.08072	14.3
159.11694	28.0
161.09648	6.3
161.13310	8.8
165.07039	5.7
167.08647	14.6
167.10687	22.1
168.09361	7.6
169.10135	37.8
170.10855	4.5
171.08023	2.8
171.11688	34.0
172.12468	2.5
173.09647	8.9
173.11000	2.1
173.13269	23.6
175.11177	4.0
175.14825	31.9
177.09189	2.6
179.08534	11.3
180.09444	5.0
181.10138	18.1
182.10919	19.0
183.11699	27.1
185.09706	4.3
185.13251	13.3
187.11250	6.3
187.14832	15.4
189.12717	10.8
189.16388	4.9
192.09367	3.5
193.10136	11.5
194.10938	7.0
195.11678	20.4
196.12489	8.8
197.09621	2.9
197.13290	29.3
198.14081	2.4
199.11246	8.0
199.14854	8.4
200.11943	2.4
201.12787	3.0
201.16426	11.7
203.14420	2.8
205.10149	3.7
206.10950	4.2
207.11729	14.8
208.12523	6.7
209.13272	26.7
211.11340	5.0
211.14911	12.0
213.12784	5.7
213.16402	8.0
215.14355	7.9
217.10161	3.7
218.11084	2.9
219.11777	5.1
220.12512	4.2
221.13246	14.4
221.15225	2.7
222.14024	4.8
223.11293	4.2
223.14810	28.7
225.12807	7.3
225.16409	4.7
227.17856	2.8
231.11777	5.3
232.12506	3.7
233.13298	5.8
233.15370	51.3
234.13910	3.6
235.14839	8.0
237.12872	3.8
237.16501	7.0
238.17119	2.5
239.14346	2.9
239.18015	5.8
241.15889	3.8
245.13205	4.0
246.14095	2.7
247.14830	7.5
247.17126	3.9
249.16486	4.2
251.14256	3.3
251.18073	5.6
253.19614	7.4
255.21291	2.5
259.14844	5.2
261.16431	3.5
263.17981	4.1
267.21097	6.8
271.14722	2.9
273.18567	28.0
275.17999	6.2
277.16031	3.0
279.21121	5.5
281.19055	3.9
289.15659	3.0
291.21069	2.5
299.20108	38.8
305.22430	2.9
311.20135	10.7
315.21201	2.5
319.24228	3.5
323.20264	3.6
333.22070	3.0
339.22897	2.5
345.22305	3.0
345.25760	14.4
351.23376	3.9
356.66690	2.1
363.23071	4.9
365.24786	4.3
375.23294	2.5
377.24759	3.2
399.27621	2.5
405.27704	4.9
417.27869	2.4
425.28537	3.4
431.29614	2.4
443.29498	18.7
444.30225	5.7
457.31409	2.5
473.34155	9.2
485.33774	2.4
509.34106	6.5
547.39331	3.1
565.40448	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.7
57.07073	7.9
65.84979	3.7
67.05507	24.5
69.07076	17.0
70.55723	12.7
79.05508	28.6
81.07069	29.2
83.08602	11.3
85.06542	6.3
91.05485	31.9
93.07055	51.5
95.04970	5.3
95.08606	36.4
103.05466	6.0
105.07031	63.8
107.08582	46.3
109.06538	6.8
109.10158	59.3
117.07025	12.8
119.08579	100.0
121.06484	9.1
121.10142	68.7
123.08068	8.6
123.11720	17.2
128.06206	10.3
129.06992	11.9
130.07784	6.3
131.08569	29.7
133.10129	50.3
135.08064	10.3
135.11693	38.3
137.09653	8.1
141.07010	6.6
142.07768	19.2
143.08577	32.3
144.09360	6.5
145.10132	59.2
147.08025	5.0
147.11688	24.0
149.09634	7.7
149.13249	6.6
151.11191	3.9
155.08553	15.6
156.09341	12.9
157.10130	53.4
158.10939	3.7
159.08105	4.7
159.11687	28.6
161.09612	6.2
161.13222	10.9
165.07057	4.3
167.08542	7.9
167.10654	9.4
168.09329	9.3
169.10115	26.0
169.59341	3.5
170.10913	5.0
171.11687	31.7
173.09613	8.0
173.13220	17.6
175.11174	11.7
175.14856	43.7
177.12680	16.6
178.13155	5.6
179.08589	8.6
180.09370	5.8
181.10110	11.5
182.10928	10.0
183.11687	28.1
185.13297	11.7
187.11230	3.9
187.14847	15.9
189.12776	7.5
189.16356	5.0
193.10150	9.2
194.10883	8.3
195.11748	18.5
196.12373	4.8
197.09650	4.1
197.13197	30.1
199.11179	12.6
199.14742	6.6
201.16393	18.4
206.10886	6.0
207.11665	16.3
209.09666	3.3
209.13206	19.2
210.10426	3.8
211.11186	5.4
211.14871	10.3
213.16464	8.7
215.14340	6.9
219.11784	8.2
219.13797	12.4
220.14409	6.6
221.13217	7.9
222.31703	3.5
223.11333	4.8
223.14804	19.8
225.12733	5.1
233.13261	7.7
234.14015	5.8
235.14842	9.4
237.16382	7.3
238.13554	3.4
238.17085	4.7
239.14188	4.6
239.17996	11.4
247.14856	7.5
249.16275	6.5
253.19554	4.1
258.14111	4.3
273.18558	39.1
279.21039	10.7
281.18802	4.4
291.21191	4.6
299.20111	71.0
299.73013	3.4
300.20688	3.9
310.30942	4.5
313.43356	3.7
325.21231	4.0
343.24231	6.6
351.23184	4.7
363.23187	6.0
375.22870	5.0
443.29523	7.8
473.33817	11.3
490.53159	3.3
509.34320	7.1
515.28925	3.9
565.40381	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
54.46389	1.8
55.05510	14.1
56.61996	1.8
57.07079	7.3
65.03963	3.5
67.05506	28.5
69.07066	21.9
70.15022	6.6
70.15427	3.2
79.05492	26.8
81.07063	40.2
83.04987	3.0
83.08620	8.0
85.14848	1.9
87.64358	2.1
91.05486	36.0
93.07044	55.0
95.04977	6.7
95.08610	41.1
103.05491	5.7
105.04542	4.2
105.07037	78.5
107.08604	53.3
109.06517	5.0
109.10162	45.3
111.08038	2.2
115.05450	4.8
116.06248	2.8
117.07024	14.4
119.04957	3.7
119.08585	100.0
121.06527	2.2
121.10149	71.5
123.08084	6.7
123.11718	14.7
128.06213	10.3
129.07022	12.3
130.07799	7.9
131.08577	40.1
133.06493	7.9
133.10141	42.2
133.96411	1.9
135.08080	4.0
135.11702	28.8
137.09642	3.3
137.13281	2.9
141.06998	7.9
142.07776	16.0
143.08574	32.5
144.09381	4.9
145.10130	83.1
147.08078	3.0
147.11705	22.7
149.09647	6.9
149.13264	3.5
153.07001	3.4
154.07770	3.1
155.08546	17.6
156.09331	16.7
157.10129	50.6
158.10956	4.9
159.08078	13.7
159.11716	26.2
161.09679	4.7
161.13280	11.6
163.14812	2.5
165.07025	5.2
166.07790	4.0
167.08546	11.1
167.10658	18.7
168.09413	6.5
169.10144	31.3
170.10912	5.5
171.08102	2.9
171.11688	24.5
172.12425	4.5
173.09631	10.5
173.13269	20.7
175.11269	2.1
175.14847	25.0
177.09270	2.4
179.08604	8.8
180.09383	6.8
181.10153	16.5
182.10930	19.0
183.11684	23.0
184.12422	2.2
185.09679	4.9
185.13286	14.7
187.11237	4.2
187.14841	13.1
189.12750	6.6
189.16441	4.6
192.09483	3.3
193.10162	10.8
194.10959	11.2
195.11723	24.9
196.12471	5.7
197.13232	29.8
198.13937	3.1
199.11198	6.5
199.14900	5.3
200.12105	5.5
201.12796	4.1
201.16399	4.9
205.10185	4.0
206.11000	4.7
207.11664	12.2
208.12555	6.4
209.13286	22.6
209.15109	3.0
211.11224	4.1
211.14841	10.5
213.12698	2.4
213.16446	3.7
215.14386	6.3
218.10989	2.5
219.11679	5.9
220.12679	2.5
221.13303	12.2
222.14095	2.5
223.11311	2.9
223.14786	22.5
223.16704	2.4
225.12794	3.0
225.16426	4.8
227.17902	2.9
231.11781	5.6
232.12703	2.5
233.13214	9.0
233.15334	55.1
234.14128	3.0
235.14830	5.5
237.16330	4.6
239.14499	2.2
239.17876	4.7
245.13408	3.2
246.13974	5.4
247.14850	7.2
247.17122	2.8
249.16486	5.9
251.18042	4.7
253.19543	3.6
259.14719	3.3
259.17133	2.6
261.16351	4.8
267.21112	8.6
272.15564	2.3
273.18701	14.3
275.17877	4.3
277.16101	2.7
277.19418	3.4
289.16171	2.3
289.19476	4.8
299.20160	23.0
305.22870	3.3
311.20068	8.0
319.24188	2.7
337.21786	3.1
345.25848	16.9
351.23325	3.3
363.23132	8.0
375.23123	2.5
389.24771	2.7
405.28140	3.0
429.27670	2.7
429.60388	2.2
443.29602	16.6
453.35919	2.1
473.34296	4.0
485.34518	3.3
509.34216	4.2
565.40472	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49881	2.8
55.05508	8.9
56.77070	3.4
57.07069	4.0
67.05504	21.5
69.03432	4.1
69.07077	14.3
71.57833	4.7
74.83638	3.2
79.05512	17.5
81.07059	35.5
83.04990	3.9
83.08628	6.5
87.77205	2.6
91.05484	30.4
93.07037	29.9
95.04968	9.4
95.08604	28.7
97.06574	3.1
97.10081	3.5
103.05455	2.9
105.07043	59.6
107.08600	41.7
109.06538	7.8
109.10164	26.1
117.07036	11.6
119.08589	50.5
121.10159	36.1
123.08064	9.7
123.11734	10.7
128.06232	3.8
129.07037	12.1
130.07779	5.0
131.08585	25.4
133.10139	66.5
135.08072	3.6
135.11726	28.2
137.09621	5.2
141.07095	3.4
142.07768	12.6
143.08575	23.5
145.10152	44.0
147.08080	8.9
147.11702	12.1
149.09587	3.6
149.24649	3.2
155.08592	9.9
156.09358	5.8
157.10109	25.8
158.10947	3.5
159.11691	21.4
161.09676	7.6
161.13249	4.4
165.09143	5.0
167.08594	6.0
169.10121	18.5
170.10919	3.2
171.11685	14.1
173.13295	17.7
175.14871	12.6
179.08531	7.8
180.09381	5.4
181.10184	12.5
182.10985	5.9
183.11725	21.0
185.09546	6.3
185.13303	14.5
187.14873	20.7
189.12782	3.2
189.16508	4.4
191.14386	2.9
194.11072	3.5
195.11768	14.7
196.12614	4.1
197.13269	16.4
199.14819	6.1
201.16354	6.8
203.14458	4.2
205.10222	4.2
206.11020	6.8
207.11769	8.2
209.13263	13.0
211.11333	3.7
211.14908	11.6
213.16397	6.3
219.11670	4.3
221.13271	10.4
221.15448	11.9
223.14801	8.1
225.16487	6.8
233.13347	8.5
235.14948	8.0
236.15866	3.3
239.14497	4.3
245.13358	4.1
246.14108	4.1
247.14862	4.2
249.16470	6.1
258.14169	4.7
259.14792	3.7
261.16580	6.5
263.18063	5.3
265.19583	5.0
277.15817	3.9
277.19519	4.1
279.20984	4.1
283.14905	3.2
283.20456	3.9
289.19485	3.2
305.19266	4.0
310.30844	3.9
373.25351	3.4
427.30179	5.1
445.34848	3.1
547.39392	10.2
565.40491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01881	4.7
55.05515	16.5
56.96564	3.9
57.03436	5.8
61.02891	2.4
67.05510	33.7
69.03417	5.2
69.07069	11.5
69.41792	2.2
70.06622	2.4
70.57192	7.0
71.04977	3.5
72.62486	2.0
79.05060	3.2
79.05497	33.4
81.02979	2.5
81.03430	29.4
81.07060	34.4
83.04990	12.3
83.08621	6.6
84.80881	2.3
85.02891	4.1
89.03905	7.2
91.05484	39.7
93.07055	25.4
95.04955	14.3
95.08620	14.8
97.02892	3.5
97.06523	34.1
97.10154	3.1
98.06853	2.5
98.20831	2.4
99.04454	2.2
103.05492	2.4
105.07034	26.4
105.90601	2.0
107.04948	8.3
107.08604	14.6
109.06494	6.1
109.10157	7.8
111.04425	3.0
111.08029	4.1
115.05393	3.2
117.03357	7.2
117.07021	3.8
119.04916	2.6
119.08581	18.7
121.10171	12.5
123.08107	2.8
129.07054	11.2
131.00206	4.0
131.04941	3.0
131.08585	12.1
133.02785	3.3
133.10135	15.5
134.03619	4.2
135.04425	12.6
135.11685	5.0
137.06010	2.3
137.09602	3.4
141.06992	4.1
142.07794	2.4
145.02829	10.6
145.10150	3.7
147.04416	5.7
147.08008	3.1
147.11670	21.8
149.01237	3.9
149.05952	4.8
149.09589	4.7
157.06493	6.0
157.10153	8.5
159.04402	10.2
159.11623	2.8
161.02354	11.5
163.02538	4.4
163.03912	82.7
165.12801	3.7
171.08038	3.4
173.02370	20.2
173.05952	4.7
175.07570	3.9
175.11194	9.6
176.11995	14.5
177.12785	4.5
185.06035	8.1
187.03926	17.4
187.07555	3.8
193.12230	17.5
195.08116	2.6
197.05995	3.6
199.03868	13.4
199.07634	4.5
201.05472	3.5
211.13283	8.6
213.05508	29.2
215.07053	3.2
225.05461	8.1
227.07104	4.0
227.12650	2.9
229.14456	3.0
239.07022	6.8
244.09518	4.8
267.13657	12.2
276.20435	4.3
285.14786	3.7
305.10693	6.8
309.14859	6.8
311.12717	15.2
311.16373	6.2
319.13229	6.9
325.12277	9.5
327.15900	9.8
337.14355	86.8
350.24011	10.8
355.15408	100.0
356.15741	8.1
373.16446	23.7
384.95605	2.3
419.19702	2.5
458.16391	2.5
565.26361	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Apiin
Peak:m/z	Relative Intensity
57.03420	0.1
60.04510	0.1
67.01855	0.4
67.05473	0.2
68.99806	0.3
69.03423	0.4
69.65031	0.6
70.06596	0.2
72.08158	0.1
80.05008	0.1
85.02908	0.5
85.60027	0.1
86.09711	0.1
87.04462	0.2
91.05470	0.5
93.07031	0.1
95.04967	0.1
96.77664	0.1
97.02879	0.3
97.06537	0.1
98.97557	0.1
115.03926	0.4
119.04957	1.7
121.02866	0.5
127.03896	0.1
133.04948	0.3
145.02849	0.7
153.01833	3.9
153.60605	0.1
161.04492	0.1
161.46878	0.1
163.03889	0.4
167.07034	0.1
171.02864	0.4
175.61220	0.1
187.03938	0.1
201.05550	0.1
203.07153	0.1
203.59116	0.1
225.05476	0.3
229.04993	0.2
243.06508	0.2
247.06181	0.1
253.05196	0.1
271.06015	100.0
272.06366	0.5
311.12735	0.1
327.23581	0.2
373.16394	0.1
433.11243	1.1
444.26001	0.1
445.26230	0.3
456.49612	0.1
493.62936	0.1
565.15637	0.2
565.30682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
51.40049	0.4
52.12659	0.4
53.67367	0.4
55.01871	0.8
57.03441	3.9
59.05006	0.5
63.44915	0.5
68.99796	0.5
69.03084	0.8
69.03434	12.0
70.06586	1.7
71.57207	0.8
73.02933	0.8
81.03418	1.0
84.08140	1.2
85.02917	8.0
87.04465	5.4
95.04962	0.5
95.08579	0.5
97.02898	5.7
104.13438	0.4
109.02846	1.4
115.03949	2.8
119.04944	3.0
121.02870	6.5
133.04982	1.1
145.02887	2.4
149.02335	2.1
163.03886	3.2
165.01848	9.4
167.03413	3.2
172.06171	0.5
175.03847	0.5
177.01826	0.9
181.05014	0.7
183.02899	2.5
185.22745	0.5
187.03917	1.4
191.03308	1.3
195.02902	2.2
205.04994	1.0
215.03313	0.6
229.05034	1.7
231.02869	0.7
239.07011	1.3
243.03055	0.8
255.06476	0.8
267.06519	8.9
270.05167	3.4
271.06021	8.2
279.06561	0.9
281.05035	0.6
281.08078	8.5
283.06024	100.0
284.06775	9.3
285.07593	0.9
293.08109	0.5
295.06073	13.8
295.09579	2.1
297.07639	2.3
305.08072	2.6
307.05991	1.7
308.06839	1.9
309.03970	1.9
309.07526	24.3
311.05664	0.6
313.07071	98.1
321.07611	2.6
323.09161	17.3
325.07074	1.2
333.07587	4.2
337.07047	44.4
338.07623	0.7
349.07080	12.2
349.11322	0.6
351.08545	2.4
361.07080	9.7
367.08145	28.9
379.08136	20.1
379.11887	0.3
397.03894	0.7
397.09186	20.7
415.10251	45.2
433.11340	51.9
445.11197	0.7
565.15619	1.6
565.29944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01865	8.0
55.05304	1.5
55.05515	17.0
57.03438	16.3
61.02923	7.0
65.03934	2.4
67.05507	53.0
69.03440	7.3
69.07069	29.9
71.01333	1.5
71.04989	5.4
71.08199	3.3
77.95822	1.3
79.05495	46.3
81.03429	13.7
81.07060	66.7
83.04980	8.3
83.08609	10.9
85.02915	8.1
85.06531	3.9
91.03946	2.1
91.05482	37.7
93.07048	56.0
95.04985	7.6
95.08616	25.1
97.02889	5.3
97.06538	18.0
97.10188	7.1
97.14041	1.5
99.04454	2.0
99.08096	3.9
105.07040	26.7
107.04967	5.9
107.08598	31.5
109.02891	2.7
109.06509	6.1
109.10146	9.3
111.08073	6.9
117.07004	14.5
119.08588	21.5
121.06511	5.5
121.10146	17.0
123.08121	2.9
123.11691	3.6
125.09643	4.6
127.03911	3.4
129.06990	3.0
131.08575	17.2
133.10123	20.4
135.08055	5.1
135.11707	20.4
137.09581	2.3
139.11230	1.9
143.08542	3.2
145.04987	1.6
145.10136	13.0
147.11691	11.2
149.09619	11.5
149.13272	17.8
151.11244	2.2
155.08585	3.0
157.10144	4.1
159.11691	23.3
161.13251	7.0
163.11185	9.3
165.12816	1.9
169.10083	3.6
171.10280	1.6
171.11711	3.7
173.04463	3.1
173.13240	7.1
177.12766	21.3
179.14348	7.3
181.12234	2.8
182.16629	1.5
183.11690	2.3
187.11244	2.5
189.11217	2.4
195.13811	5.5
227.12799	3.8
229.14296	2.7
229.19684	1.9
239.17921	3.3
247.20514	3.8
251.16464	5.9
255.15913	47.3
257.19073	11.6
269.17499	100.0
275.20062	32.3
293.21213	3.3
309.20642	2.7
331.22748	1.8
349.23715	66.1
367.24814	22.6
389.18155	2.3
413.21600	4.2
419.24332	2.5
431.23035	1.6
511.29053	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03931	1.7
55.01880	3.2
55.05267	0.9
55.05513	14.1
57.03438	3.5
61.02916	1.8
66.49496	0.6
67.05178	0.9
67.05511	13.5
69.03428	3.3
69.07076	7.1
70.17287	2.5
70.17641	0.8
71.05013	0.9
73.52695	0.6
79.05495	20.1
81.03422	2.8
81.07062	11.0
83.04973	3.2
83.08624	8.5
85.02910	2.6
85.06553	0.9
91.03957	0.7
91.05478	11.3
93.07050	11.9
95.04958	2.9
95.08595	6.1
97.02911	1.1
97.06538	15.2
97.10177	17.5
98.20860	0.8
99.49820	0.8
105.07036	14.2
107.04955	4.5
107.08597	35.5
109.02882	1.2
109.06483	1.2
109.10154	5.8
111.08079	1.9
117.07047	3.8
119.04923	0.8
119.06002	0.7
119.08591	8.1
119.28764	0.7
121.06475	1.0
121.10130	4.1
123.04465	0.8
123.11715	1.5
125.09628	17.3
127.03914	1.8
128.72945	0.6
129.06987	1.6
131.08592	5.6
133.10136	7.9
135.08040	2.6
135.11670	2.3
137.09572	0.8
143.08559	1.7
143.10771	0.7
145.10126	10.8
147.11705	7.9
149.09599	5.2
151.11124	0.7
153.09082	1.1
155.08557	0.9
159.11703	4.9
161.13249	2.6
163.03879	1.0
163.11147	1.5
169.10159	0.9
171.10172	2.9
171.11638	1.8
173.11906	0.8
173.13281	2.2
174.42638	0.7
175.14902	1.0
183.11737	1.3
189.11203	11.8
189.12869	0.5
197.13257	1.2
208.11980	0.8
227.10527	1.2
227.12769	17.6
227.14943	1.3
239.17929	3.6
241.08607	1.4
245.13857	8.3
247.16747	0.7
247.20395	1.1
253.17912	0.8
255.15851	0.8
257.19016	14.9
259.09711	2.4
275.20059	25.0
291.11902	1.1
293.21082	0.8
311.12750	1.3
313.14417	1.0
327.15829	1.8
331.22662	2.8
337.14151	1.0
349.23737	100.0
350.23993	1.1
355.15344	8.3
367.24878	7.2
384.12009	0.7
389.18060	2.6
511.29071	1.8
529.30609	1.0
565.26056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11898	1.8
51.02370	2.0
51.15847	1.7
53.03948	3.5
54.19814	1.6
55.01890	2.1
55.05519	17.8
57.03442	10.4
57.07072	3.7
57.94133	1.8
65.03932	3.3
66.90364	1.8
67.05510	67.8
67.28878	1.7
69.03427	2.6
69.07075	22.0
71.04973	2.2
79.05496	36.9
81.03387	1.7
81.07061	100.0
82.91706	1.8
83.04981	7.7
83.08610	10.5
85.06554	6.3
85.10165	1.7
87.68890	1.8
91.05482	34.3
93.07053	45.1
95.04970	5.8
95.08609	53.2
97.06539	9.4
97.92323	1.7
99.08105	4.6
101.06033	2.0
105.07034	38.6
107.08600	38.7
109.06533	5.2
109.10149	20.7
111.08042	2.1
113.06015	1.7
117.06977	4.4
119.08591	34.9
119.37003	1.8
121.06520	1.7
121.10149	36.6
123.08079	4.9
123.11716	26.3
127.93863	2.0
128.06123	1.9
129.07016	3.4
130.01932	2.1
131.08556	14.2
131.46661	1.8
133.10136	17.0
135.11697	16.7
136.93166	5.5
137.13243	6.4
142.07753	2.6
143.08612	2.4
145.10161	11.9
147.08093	1.9
147.11690	52.9
149.09660	3.3
149.13269	9.7
151.14890	2.2
154.94159	9.1
155.08488	2.2
157.10144	8.5
159.11702	9.3
161.13272	7.0
163.14838	3.3
165.09088	2.3
165.12761	23.5
167.10753	2.4
169.10199	2.6
171.11752	4.0
172.95207	10.0
173.13237	8.5
175.11220	2.6
175.14842	3.8
181.10030	1.8
183.13849	4.5
185.13158	2.1
187.14813	4.2
190.96266	2.3
195.96957	2.2
201.16460	2.0
201.94870	1.8
210.96866	3.2
219.11784	1.8
221.13336	2.6
228.97859	5.4
229.14305	5.8
243.21069	7.6
246.99030	2.5
249.16553	2.3
255.03993	2.0
259.14865	2.5
261.22168	30.5
267.15948	41.4
279.23193	4.9
285.16986	40.1
317.24680	8.8
335.25806	65.3
336.26416	2.0
448.17978	2.2
457.36505	2.3
471.34808	3.8
522.22284	16.7
527.37091	5.3
545.38300	34.1
563.38989	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01876	7.9
55.05510	8.7
56.24379	1.0
57.03441	6.0
57.07078	1.5
61.02917	3.5
65.03915	1.7
67.05505	35.3
69.03424	5.8
69.06779	1.1
69.07069	11.9
70.51661	2.0
70.52045	2.2
71.05008	4.8
73.02892	1.2
79.05066	1.4
79.05499	24.8
81.03417	6.7
81.07058	36.3
83.04989	8.8
83.08624	6.3
85.02904	4.7
85.06538	3.9
91.03919	1.8
91.05483	31.3
93.07050	19.3
95.04977	6.9
95.08617	11.5
97.02894	2.7
97.06502	3.9
97.10178	1.4
98.21442	1.1
99.04436	1.9
105.07029	28.8
107.04967	5.1
107.08599	27.3
109.02866	1.7
109.06512	4.0
109.10159	37.3
111.08123	2.5
113.05995	1.8
117.07021	5.1
119.08594	7.7
121.06499	3.6
121.10171	6.2
123.04436	1.3
123.11718	7.3
125.09611	1.3
127.07568	2.6
128.06165	1.2
129.05507	1.7
129.06989	2.1
131.08589	7.8
133.06480	4.2
133.09114	2.5
133.10130	50.6
135.08025	4.6
135.11659	3.8
139.07527	1.7
143.08542	3.2
145.10112	4.0
147.08035	3.0
147.11661	3.1
149.09615	6.2
149.13304	1.6
151.11198	21.0
157.10109	2.5
159.08028	1.3
161.09633	6.1
163.11177	1.4
169.12238	4.6
175.11200	2.1
177.09134	2.4
179.10704	2.5
189.12720	1.4
209.11630	1.2
215.12831	3.2
218.71217	1.0
225.35260	1.0
227.17873	1.9
245.19044	2.7
251.12701	1.1
253.14352	100.0
254.14203	1.0
263.20096	3.2
269.13821	3.5
271.15359	16.7
273.18518	17.4
279.23434	1.5
285.16888	2.3
291.19528	20.9
321.24323	1.6
347.22220	7.9
365.23242	77.2
366.23413	1.3
383.24185	2.9
391.75171	1.3
435.23654	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.08425	0.9
55.01875	8.7
55.05513	9.5
57.03443	7.3
57.07064	1.0
61.02916	4.6
63.96764	0.9
65.03932	1.4
67.05507	37.3
69.03418	4.6
69.07073	8.3
69.32387	2.6
69.32796	6.8
71.04977	3.6
79.05492	18.5
81.03425	6.7
81.07059	37.4
82.07379	1.0
83.04988	7.3
83.08612	3.6
85.02907	3.8
85.06532	3.4
91.03943	1.8
91.05482	32.2
93.07045	20.3
95.04990	8.1
95.08606	11.2
96.18021	0.9
97.02899	2.4
97.06525	4.0
97.10141	1.3
98.20790	2.0
99.04472	1.0
105.07037	26.1
107.04942	4.5
107.08597	23.0
109.02811	1.3
109.06503	6.4
109.10156	37.4
111.04372	1.2
111.08077	2.0
113.05985	1.9
117.07028	3.4
119.08591	7.8
121.06507	3.3
121.10141	4.2
123.08050	2.9
123.11708	7.2
127.07547	1.8
128.06230	1.7
129.05495	1.8
129.07005	1.7
131.08557	7.5
133.06473	3.6
133.10135	46.5
135.08072	3.7
135.11670	3.9
143.08508	2.4
145.10081	2.7
147.11691	1.9
149.09666	5.3
151.11197	25.3
157.10162	2.1
159.08018	2.5
159.11699	1.2
160.73582	1.1
161.09627	4.9
163.11108	1.5
169.12218	4.0
171.11716	1.7
173.11765	1.7
173.13133	1.5
175.11185	1.4
177.09100	3.4
179.10696	2.0
193.12413	1.3
207.13914	1.1
211.13304	1.5
215.12796	3.5
227.17842	1.4
229.14388	1.0
230.14633	1.4
245.19057	2.5
251.12717	1.4
253.14360	84.6
255.17484	2.4
263.20032	3.3
269.13821	2.7
271.15384	12.5
273.18478	12.3
285.17017	2.4
291.19592	15.9
309.20609	1.8
347.22229	6.5
354.91470	1.0
365.23242	100.0
383.23758	2.1
527.28168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.36479	0.5
55.01872	2.7
55.05516	10.2
57.03429	1.9
60.02880	0.5
61.02917	0.7
65.24142	0.6
67.05505	11.6
69.03432	6.3
69.07073	11.2
71.04980	1.8
79.01586	0.5
79.05073	0.6
79.05496	10.8
81.03417	8.5
81.07055	10.5
81.75186	0.5
83.04970	2.0
83.08619	4.7
85.02912	3.2
85.06564	0.6
91.05477	8.3
93.07043	8.4
95.04980	5.2
95.08602	4.8
97.02905	5.0
97.06522	1.7
97.10173	6.9
99.04464	0.6
103.03983	0.7
105.07041	7.7
107.04949	3.9
107.08593	6.4
109.02888	3.4
109.06516	0.8
109.10139	4.0
111.04421	0.7
111.08096	1.1
115.05463	0.5
117.07012	3.3
119.04978	1.0
119.08594	6.5
121.06500	1.8
121.10164	3.4
123.08076	1.9
125.09653	3.7
127.03922	9.8
129.06981	2.2
131.00117	0.8
131.08572	4.5
133.06490	1.7
133.10110	2.1
134.07211	1.0
135.08043	1.8
135.11742	0.7
136.06172	0.6
137.09613	1.5
143.08548	2.4
145.10132	3.6
147.08070	3.0
147.11682	1.5
149.09581	1.2
149.13280	0.9
151.11116	0.6
157.10100	1.4
159.11720	1.0
161.09607	1.5
162.10394	1.2
163.11179	1.1
165.09119	0.9
171.10162	0.8
171.11598	0.8
175.11154	1.3
177.12744	0.6
189.11223	2.3
189.12677	0.8
193.12212	2.2
205.12386	0.6
211.13271	1.0
223.13289	9.7
224.08092	1.1
227.12787	2.1
231.17517	0.7
245.18983	0.9
249.14839	3.0
255.17546	1.3
263.19882	0.6
267.16055	0.8
273.18542	10.4
285.16956	3.5
291.19547	100.0
292.19757	0.8
297.76862	0.6
305.10669	2.4
309.20566	1.1
347.22192	0.6
351.21527	0.9
365.23242	35.0
417.22620	1.3
435.23804	8.7
453.24826	1.9
512.69159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45373	0.5
53.03926	1.4
54.82930	0.5
55.01877	3.4
55.05511	14.4
57.03444	3.2
59.04991	0.6
61.02901	1.7
65.03934	0.9
67.05507	16.1
69.03432	6.1
69.07072	17.4
69.26147	1.2
69.26562	4.0
71.04977	1.1
73.02902	1.3
79.05077	0.9
79.05499	13.7
81.03417	7.3
81.07057	12.3
83.04974	2.8
83.08628	7.9
85.02899	3.0
85.06575	0.8
91.03930	0.8
91.04971	0.8
91.05479	10.5
93.07044	11.0
93.08250	0.5
95.04983	5.3
95.08617	5.9
97.02898	7.7
97.06506	2.2
97.10174	11.7
98.21526	1.0
102.76778	0.6
105.03363	0.6
105.07027	8.2
107.04952	3.6
107.07964	0.8
107.08599	8.8
109.02877	0.8
109.06487	1.7
109.10161	5.0
111.08040	1.7
115.05460	1.2
115.86209	0.5
117.07007	5.2
119.04942	1.0
119.08578	8.3
121.06477	1.6
121.10156	3.1
123.08084	2.6
125.09624	9.3
127.03868	1.0
129.06970	1.9
130.07780	0.6
131.08566	3.8
133.06432	2.3
133.10139	3.4
135.08049	3.3
135.11693	1.3
137.09579	1.7
143.08530	2.0
145.10146	3.7
147.08044	3.8
147.11694	3.1
149.09618	1.5
149.13211	0.6
151.11163	0.8
153.09036	0.8
157.10086	2.8
159.11661	1.8
161.09630	2.2
161.13258	0.7
162.10403	0.6
163.11169	2.3
169.12288	0.7
171.10254	0.8
171.11671	1.0
173.11749	0.8
175.11166	2.7
177.12727	0.9
181.09984	0.6
187.30965	0.6
189.11232	4.1
193.12242	4.3
195.13762	1.0
205.12248	1.7
211.13271	2.4
223.13307	15.1
227.12790	4.5
245.13855	0.6
245.18979	0.9
249.14877	1.9
263.19934	0.6
267.15961	3.6
273.18481	9.0
285.16971	9.7
291.19547	74.2
315.19394	0.6
347.22110	2.5
351.17874	0.5
365.23236	100.0
429.21082	1.0
448.95099	0.6
459.27249	0.9
527.28680	2.0
535.40582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01878	2.9
55.05512	12.5
57.03429	1.9
59.04993	0.7
61.02923	1.4
61.49828	0.5
65.03935	0.8
67.05176	1.0
67.05508	13.3
69.03433	5.6
69.07074	12.1
69.23013	5.1
70.39838	0.4
71.04992	1.8
77.03892	0.6
79.05058	0.9
79.05496	12.0
81.03422	8.8
81.07059	12.3
83.04973	2.9
83.08610	5.2
85.02916	3.5
85.06487	0.7
91.05485	9.1
93.07047	8.7
95.04976	4.7
95.08604	5.6
97.02890	4.4
97.06544	1.6
97.10181	6.2
98.20784	1.1
98.78596	0.5
99.04455	0.7
103.03918	0.9
105.07037	7.5
107.04952	4.5
107.08601	6.6
107.89771	0.5
109.02866	3.7
109.06507	1.7
109.10173	5.1
111.08060	1.0
115.05460	0.5
117.07019	3.6
119.04941	1.2
119.08575	5.4
121.06541	3.0
121.10154	3.1
123.08057	2.8
123.11694	0.7
125.09641	5.4
127.02982	0.6
127.03920	9.4
127.07544	0.4
128.06261	0.8
129.07011	1.7
131.00143	0.7
131.08577	4.8
133.06517	2.4
133.10139	3.2
134.07214	0.8
135.08060	1.9
135.11662	1.4
137.09656	1.0
143.08603	1.4
145.04970	0.9
145.06479	0.8
145.10104	3.6
147.08070	4.2
147.11679	2.0
149.09634	1.4
149.13261	1.0
153.09067	0.9
157.10115	1.6
159.11743	1.5
161.09628	1.6
162.10330	0.6
163.11263	1.1
165.09132	0.8
169.10030	0.6
169.12233	1.2
171.11714	1.1
173.11743	0.6
175.11237	1.4
177.12688	0.8
187.13333	0.6
189.11266	2.6
189.12737	0.8
193.12308	2.4
205.12260	0.9
211.13316	1.3
223.13297	8.2
223.58588	0.5
224.08078	0.5
227.12781	1.7
229.14304	0.6
233.15356	0.8
235.13399	0.8
245.13879	0.7
245.19003	0.6
249.15019	2.7
253.14223	0.7
255.17450	0.5
263.20007	0.9
266.60898	0.6
267.15836	1.1
273.18500	12.3
285.17023	2.7
288.67630	0.6
291.19550	100.0
305.10980	1.0
305.60843	0.8
307.19250	0.7
309.20526	1.1
347.22235	1.3
355.17685	0.8
365.23236	29.7
399.21841	1.2
417.22818	1.0
435.23843	12.2
448.15863	0.5
453.24823	1.8
527.28784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01879	3.7
55.05266	1.1
55.05516	12.1
57.03442	6.3
61.02919	1.6
64.40108	0.8
65.03984	0.7
67.05171	1.2
67.05510	16.0
69.03437	6.0
69.06722	1.3
69.07073	18.7
69.26502	5.4
69.26913	1.3
69.91537	0.8
71.05006	0.8
73.02901	1.2
75.71557	0.8
79.05505	13.0
81.03410	6.1
81.07062	14.6
83.04971	3.7
83.08619	7.1
85.02929	2.4
85.06560	0.8
86.34030	0.7
91.03975	1.1
91.05482	9.7
93.07055	12.5
95.04972	6.7
95.08607	7.8
97.02890	6.1
97.06557	3.5
97.10179	9.1
105.07034	8.7
107.04956	5.2
107.08606	7.3
109.02939	0.8
109.06538	3.5
109.10175	5.5
111.04487	0.9
111.08085	1.9
115.05547	0.9
117.07017	4.3
119.08590	7.9
121.06525	2.7
121.10149	2.9
123.08087	2.6
125.09637	7.1
127.07548	1.9
128.04823	0.7
129.07022	2.3
131.08566	6.7
133.06552	2.3
133.10136	4.0
134.07245	1.2
135.08078	2.9
135.11697	1.9
137.09644	2.8
143.08560	1.7
145.10115	4.4
147.08035	3.2
147.11726	3.7
149.09662	1.7
151.11201	1.4
153.09146	0.9
157.10158	1.8
159.11707	2.4
161.09647	2.7
163.11227	1.9
165.09120	1.1
171.10263	1.3
171.11696	1.8
173.09715	1.3
173.11751	1.2
173.13203	0.9
175.11192	2.4
181.10187	0.8
185.13321	1.2
187.11147	0.8
189.11224	4.4
189.12701	0.9
193.12283	4.6
205.12167	1.4
211.13284	1.9
219.14163	0.8
223.13275	9.7
227.12775	3.3
229.14241	1.2
245.13998	1.0
245.18907	1.3
249.14870	3.0
255.17499	0.8
267.15897	2.4
269.17493	1.1
273.18491	11.6
285.17041	8.3
291.19565	69.3
307.18958	1.1
347.22159	5.8
365.23254	100.0
509.27368	1.4
527.28271	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42782	1.7
53.03944	3.1
54.54457	1.7
55.01865	6.9
55.05514	20.2
57.03434	7.7
65.03931	3.9
67.00105	1.9
67.05511	71.7
69.07069	17.4
69.61639	4.3
69.62050	9.2
71.04995	5.4
73.02945	1.9
79.05494	59.5
81.03404	3.8
81.07063	68.6
83.04962	5.8
83.08624	12.4
83.59951	2.0
84.04511	2.5
91.05487	31.8
93.07048	80.2
95.04984	10.2
95.08617	70.5
95.09239	2.4
97.02895	5.2
97.06526	6.9
97.10161	6.1
98.20747	3.3
99.04488	2.6
105.04562	2.5
105.07045	26.7
107.04980	10.2
107.08604	46.0
109.06492	2.8
109.10152	19.8
111.08092	2.5
113.05991	2.2
113.09634	2.0
115.05389	2.5
117.07021	12.8
119.08582	21.5
121.06500	6.1
121.10139	30.4
123.08047	4.7
123.11683	6.6
125.05987	3.0
129.07013	2.9
131.08620	11.5
133.10159	13.8
135.08121	3.4
135.10683	3.5
135.11702	54.8
137.13269	2.4
143.08559	4.6
145.10130	38.1
147.11681	6.5
149.09662	2.2
149.13239	6.9
153.12709	2.0
159.11713	7.5
161.13321	3.9
163.11188	57.6
171.11774	2.1
172.95268	2.9
173.09554	3.6
173.13278	5.2
181.12265	11.9
187.14825	3.5
191.10693	4.1
209.11682	4.0
220.47731	1.9
227.12790	100.0
243.21115	5.9
255.17673	1.9
261.22165	24.8
265.14340	3.8
283.15430	49.3
317.24765	7.4
335.25803	97.5
521.21570	4.9
525.35675	3.5
543.36896	68.8
551.21948	2.3
561.38007	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
53.09115	2.3
55.01873	3.8
55.05511	17.1
56.46672	2.1
57.03448	11.3
57.07071	3.4
57.75801	2.2
65.03941	2.5
67.05508	62.8
69.03413	2.8
69.07074	17.0
69.68017	13.4
71.04982	4.6
79.05067	3.9
79.05499	50.8
81.03413	4.2
81.06587	3.5
81.07062	69.9
83.04992	5.7
83.08634	11.9
85.06512	2.2
85.36419	2.3
91.05480	28.0
93.06483	3.2
93.07052	70.6
95.04965	9.2
95.08609	72.7
97.02863	3.1
97.06565	4.1
97.10162	2.9
99.04453	3.3
99.08116	2.3
105.07037	20.9
107.04932	9.7
107.08602	45.6
109.10156	20.1
111.08028	2.3
117.07008	15.9
119.08591	22.1
121.06525	4.7
121.10140	27.2
123.11691	5.9
125.05923	2.6
131.08568	9.2
133.10156	12.5
135.08087	2.8
135.11700	49.3
137.09724	2.7
143.08548	3.7
145.10126	34.7
147.11703	5.9
149.13246	7.2
157.10089	3.4
159.11699	8.0
161.13237	4.3
163.11188	54.5
163.14784	2.4
173.13237	3.2
179.14322	2.4
181.12260	9.1
184.61975	2.2
187.14822	2.9
209.11674	2.8
227.12794	98.6
231.24345	2.5
243.21019	5.9
261.22168	26.1
283.09433	3.9
283.15421	44.8
317.24640	6.0
332.02469	2.1
335.25812	100.0
510.10385	2.5
540.64923	2.3
543.36896	63.2
561.39307	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.6
55.01875	15.3
55.05260	2.7
55.05515	33.3
57.03445	5.7
57.07084	3.1
64.59746	1.5
65.03945	7.7
67.05511	99.4
69.03424	2.7
69.07074	20.8
71.05006	5.4
71.57328	3.1
77.03938	2.2
77.63349	1.4
79.05502	89.4
81.03427	9.0
81.07066	89.1
83.04993	27.7
83.08636	10.0
85.02944	3.3
85.06551	3.8
91.05489	52.4
93.07053	94.3
95.04983	16.8
95.08613	56.3
97.06539	15.1
97.10180	6.8
99.04481	5.4
99.08121	2.6
101.97002	1.4
103.05471	2.5
105.07037	38.9
107.04972	19.6
107.08601	49.3
107.09292	2.5
109.06521	3.4
109.10163	23.4
111.04451	45.3
111.08090	12.8
117.07035	21.3
119.08582	29.4
121.06550	3.5
121.10154	45.3
123.08096	4.6
123.11713	7.6
125.06008	3.2
125.09637	3.8
127.03983	1.7
127.44144	1.5
129.07060	6.3
130.07857	1.8
131.04961	2.7
131.08574	24.7
133.06564	2.1
133.10144	16.3
135.08096	2.8
135.11700	36.6
135.12701	2.1
137.09685	1.9
137.13249	2.8
139.11244	2.2
143.08595	3.1
145.06491	4.0
145.10135	37.6
147.11729	12.7
149.09680	7.6
149.13261	11.5
153.07092	1.8
153.12746	20.8
154.94228	2.7
155.08568	7.8
159.11719	10.4
161.09593	2.7
161.13292	6.9
163.11192	40.4
163.14868	4.1
165.12822	2.2
169.10222	1.8
171.11757	1.8
172.95227	3.7
173.09660	15.2
173.13229	9.7
175.14909	2.4
181.12259	33.7
182.15666	1.7
185.13210	2.4
187.14844	1.9
191.10690	30.5
191.12305	2.2
209.11725	11.3
227.12801	34.8
227.14902	2.6
236.42007	1.6
241.19699	2.3
243.21214	6.5
259.20602	3.3
261.22153	23.5
265.14359	7.9
267.15872	2.2
277.21677	2.1
279.23462	1.8
283.15421	50.0
301.16525	2.3
317.24911	4.0
335.25925	9.2
395.64282	1.7
423.32709	4.2
433.31100	3.5
451.32089	4.4
469.33463	5.4
487.34268	1.8
515.37329	10.2
521.21643	3.3
525.36053	7.0
543.36920	27.5
561.37976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79720	2.6
50.94751	2.7
53.03938	9.6
54.18066	2.4
55.01870	9.0
55.05517	39.0
57.03442	28.7
59.05000	6.1
61.02699	2.5
61.02930	28.2
63.35400	2.9
67.05508	100.0
69.03433	33.9
69.07075	17.9
69.86534	6.4
69.86948	11.0
71.01354	6.8
71.04982	10.8
71.08631	2.9
73.02914	24.3
79.05496	27.0
81.03416	53.0
81.07059	45.2
83.04982	17.1
83.08607	17.6
85.02904	54.9
85.03371	4.7
85.06522	3.7
86.10278	3.6
87.04470	9.7
91.03977	18.9
91.04446	3.0
91.05490	21.2
91.05984	3.8
93.07049	22.7
95.04960	14.0
95.08615	14.8
97.02894	53.3
97.06525	10.5
97.10173	28.5
98.20831	4.0
99.04460	11.2
99.08103	3.1
101.02371	10.4
103.03958	7.6
105.07028	10.7
107.04930	5.0
107.08604	23.8
109.02888	11.7
109.10160	85.8
111.04420	6.9
111.08070	8.4
112.84638	2.9
115.03902	4.0
117.07014	6.9
119.08600	13.1
121.10148	9.1
125.05964	2.9
125.09628	31.4
127.03914	28.8
129.05482	10.5
131.08568	4.8
133.10196	5.4
135.04391	3.1
135.08070	3.2
135.11722	6.0
137.09679	6.9
138.13043	2.9
139.11156	4.1
143.10736	3.7
145.04959	9.7
145.10110	4.9
153.12781	6.6
155.10674	8.7
157.10132	4.3
163.11214	9.0
173.04460	17.6
173.09656	3.0
173.10100	3.2
173.11745	43.0
175.11205	3.7
181.12196	4.1
183.06465	3.0
185.11720	3.5
189.11317	2.7
193.12117	7.0
199.13339	9.4
209.11684	11.5
227.12790	9.0
229.14336	74.5
253.52831	2.9
257.13959	6.7
267.16095	4.0
283.15408	6.7
301.16519	8.7
365.23044	3.3
367.98315	3.1
391.19473	5.4
399.23743	12.5
463.23257	2.8
543.36450	4.0
561.30042	13.1
561.37189	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	560.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.8
57.11868	11.3
67.05502	48.5
69.07069	18.2
77.02666	9.5
79.05495	32.3
81.07063	59.7
91.05473	22.1
92.70953	10.6
93.07034	44.0
95.08594	38.4
105.06995	11.2
106.60588	10.2
107.08597	22.0
109.10141	28.4
119.08566	15.0
121.10147	20.5
131.08572	16.8
135.11691	15.5
145.10098	14.2
149.13278	22.7
159.11743	13.8
163.25810	9.7
209.88174	9.5
229.57147	10.6
243.21114	39.4
261.22165	100.0
266.59659	9.8
335.25745	28.0
353.26852	45.9
400.78598	10.8
560.32935	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	561.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.4
55.01874	16.6
55.05511	19.1
57.03436	17.4
57.07060	2.5
57.32158	1.5
61.02926	4.8
65.03940	3.1
67.05507	75.8
69.03434	50.8
69.07072	13.9
71.05006	8.5
71.21766	3.3
73.02922	47.3
79.05494	40.0
81.02975	2.9
81.03424	35.0
81.07060	84.3
83.04994	9.5
83.08606	9.7
85.02910	35.4
85.03426	2.3
85.06563	2.5
91.05482	27.8
93.07055	50.7
95.04964	4.4
95.08613	66.6
97.02901	17.7
97.06539	4.7
97.10184	2.3
99.04460	22.3
99.08107	3.3
103.03970	2.0
105.04534	1.7
105.07034	20.0
106.98026	2.3
107.08597	26.2
108.83512	1.7
109.02136	3.3
109.02888	64.7
109.10163	36.9
110.03667	10.0
111.04448	56.7
111.05217	2.9
111.08079	1.9
117.07024	8.5
119.08586	15.6
121.10149	25.9
123.08055	2.1
123.11717	18.6
127.03925	32.2
127.04811	2.5
129.07008	3.0
131.08577	13.8
132.99559	27.6
133.10138	15.2
135.01163	2.3
135.11707	23.2
136.76584	1.4
136.98994	1.8
137.13272	4.6
137.54233	1.5
139.11217	3.0
145.10124	12.1
147.11679	11.7
149.13293	9.6
151.00618	6.7
151.11250	2.6
153.12669	1.6
155.00069	1.9
157.10022	1.6
159.11673	9.1
161.13243	10.1
163.11163	3.0
163.14845	7.0
165.12782	2.5
165.81879	1.7
171.11723	2.5
172.99101	6.5
173.13235	9.6
175.14862	3.7
177.16472	2.5
179.14355	2.8
182.17638	1.6
187.14868	6.4
191.00111	31.4
191.14417	1.8
201.16385	3.0
205.15842	1.9
209.01202	9.6
213.62106	1.5
233.12488	1.7
243.21059	10.0
259.20596	2.0
261.22198	37.3
262.74533	1.7
265.03879	2.2
279.23303	2.0
317.24722	3.1
335.25787	33.5
561.27374	100.0
561.36511	3.4
580.12024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05514	3.6
56.05041	3.1
57.03431	2.8
58.06603	12.9
59.87128	0.7
60.04523	2.5
61.02929	1.0
65.03954	0.9
67.05516	5.9
68.05015	1.1
69.03428	5.1
69.07067	2.9
69.32841	3.1
69.33267	3.7
70.06596	7.5
71.01347	1.1
71.04992	1.4
72.04514	0.9
72.08154	3.2
73.02917	2.5
74.06071	1.3
78.24184	0.8
79.05503	3.5
79.95115	0.7
80.05016	2.8
81.03425	1.7
81.07059	6.7
82.06586	1.6
83.04998	1.6
83.08599	1.0
84.04509	2.3
84.08154	3.6
84.99357	0.7
85.02915	6.5
85.06544	2.0
86.06071	12.1
86.09711	4.7
87.04482	1.5
88.07634	14.2
91.05495	3.5
93.07080	3.9
94.06571	2.9
95.04969	1.8
95.08625	3.7
96.08118	2.1
97.02896	21.2
97.06540	3.3
97.34379	0.8
98.06070	2.5
98.21625	1.3
101.02386	3.0
105.07056	2.4
107.08620	2.2
108.08125	2.2
109.10187	1.2
110.06082	1.2
110.09728	0.9
111.08105	2.4
113.02393	2.3
114.05544	2.3
115.03922	4.7
116.07097	4.9
119.04979	1.0
119.08566	1.7
119.19254	0.7
120.08127	2.4
121.10196	1.3
122.09636	0.9
123.74753	0.7
123.99062	0.8
124.06815	0.8
124.07619	1.6
125.02373	1.0
127.03900	0.8
128.07106	1.3
129.10278	0.9
129.35931	0.8
131.08597	1.4
142.08652	2.3
143.03409	1.6
145.10083	0.9
147.04411	2.4
153.01854	1.8
160.09705	22.2
161.04529	2.7
162.12776	1.0
163.04015	1.0
170.08191	1.4
186.07704	1.0
224.20232	1.8
236.20197	3.0
252.23376	2.2
254.21107	3.9
257.04416	4.8
258.04837	6.5
259.09766	1.5
262.21707	0.8
264.23291	1.0
272.22400	1.1
274.21783	1.7
280.22775	1.9
285.03677	0.9
286.04791	2.8
287.05222	6.2
288.05884	2.4
292.22824	3.3
298.20139	4.7
306.24640	0.9
310.23856	2.9
311.05521	1.8
312.05917	2.5
318.24225	1.0
320.26135	1.2
326.23038	3.7
327.26089	0.9
328.24799	1.6
336.25476	2.4
339.08786	2.9
340.09006	4.8
346.23767	1.3
354.26413	50.7
364.25018	2.0
372.27475	84.5
373.28134	0.9
380.24231	1.1
382.25909	100.0
383.11261	14.9
384.07825	0.7
384.11612	49.2
400.26971	70.4
414.28775	2.5
428.26563	8.2
442.28110	1.0
494.37491	0.8
516.31720	1.4
532.31195	14.1
542.29327	2.4
546.63171	0.8
560.15845	5.3
560.30743	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.5
53.03938	4.5
55.01865	5.7
55.05267	1.9
55.05513	28.0
55.72688	1.3
57.03439	4.2
57.07069	5.6
65.03940	3.3
67.05508	42.4
69.03422	3.1
69.07071	12.6
70.05135	4.1
70.05533	3.0
71.04996	1.6
71.08618	1.4
71.22324	1.4
76.87629	1.3
79.05495	42.5
81.03431	2.4
81.07059	49.9
83.04978	3.1
83.08613	16.0
85.06551	3.4
91.05482	35.4
93.07047	46.2
95.04958	5.1
95.08060	1.3
95.08613	26.7
97.02888	2.8
97.06520	3.3
97.10179	15.6
98.20808	2.0
99.00826	5.9
105.04539	1.6
105.07033	29.5
107.04956	3.9
107.08603	27.9
109.02887	9.6
109.06521	4.9
109.10165	16.4
111.04417	2.6
111.08105	3.8
115.05499	2.5
117.07023	13.9
119.08591	19.3
121.06526	6.0
121.10157	16.9
123.08040	1.7
123.11699	4.5
125.09618	11.5
127.03899	1.5
128.06186	2.5
129.07018	6.7
131.08583	14.7
133.06422	1.9
133.10133	31.5
135.08022	2.7
135.11696	14.6
137.05914	1.4
137.09631	1.8
139.07513	1.6
141.06995	2.3
143.08575	9.8
145.06506	1.9
145.10146	13.9
147.08026	2.6
147.11702	7.2
149.13272	6.0
151.11176	7.2
153.09120	1.9
155.08583	2.9
157.10143	5.3
159.11707	9.4
161.09605	13.8
161.13277	4.5
163.11177	2.9
163.14804	2.3
167.08519	3.1
169.10138	4.7
171.08037	4.0
171.11688	4.6
173.09656	2.0
173.13292	5.9
175.14807	2.4
179.10696	5.9
181.10034	1.8
181.12381	1.5
183.11708	3.9
185.13300	5.8
187.11195	1.8
187.14856	3.2
189.09143	6.1
189.11252	4.8
195.11736	2.0
197.11644	1.6
197.13252	2.8
199.14850	3.9
200.52710	1.4
207.10025	2.3
225.11110	8.7
227.12738	2.9
243.21170	4.7
259.95197	1.6
261.22153	10.4
277.21686	2.7
281.13876	7.3
283.15594	2.5
287.23721	4.5
297.22055	2.3
313.21747	3.1
315.23218	10.9
317.24704	2.8
333.24274	2.0
383.11389	1.7
395.63873	1.4
403.29620	2.1
421.31128	6.7
423.32874	1.8
439.32166	4.8
449.30341	6.9
457.32822	2.7
467.31546	16.2
485.32498	8.5
495.34677	1.9
513.35669	16.2
515.37244	3.2
523.34009	2.7
531.36932	16.8
541.35291	43.8
559.36304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82563	0.2
63.70007	0.2
67.01859	0.3
68.99779	0.3
69.03421	0.3
70.25863	0.9
70.95457	0.2
79.05471	0.2
85.02867	0.2
91.54630	0.2
139.03848	0.4
147.04344	0.3
153.01837	21.6
159.08049	0.2
161.05943	0.2
184.76990	0.2
187.07555	5.0
189.05490	1.9
201.09074	0.3
213.05432	0.2
237.05507	0.3
253.04974	0.3
255.06329	0.5
263.08136	0.2
265.04919	0.5
282.05255	4.1
283.06018	2.2
283.09229	0.4
293.08029	0.4
295.05743	0.3
297.03955	0.7
298.04755	0.4
299.05551	0.4
310.04736	2.4
311.05508	27.4
312.28284	0.2
321.07693	0.3
323.05453	0.7
324.06265	0.4
326.07990	0.3
339.08655	26.9
383.11267	100.0
384.11591	1.1
399.74387	0.2
559.14471	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.0
56.96565	6.6
57.03397	0.4
61.02916	0.5
67.05481	1.0
67.52219	0.3
68.52000	0.4
68.66727	0.3
69.03412	0.6
70.06581	0.7
71.56935	0.4
71.57339	0.4
78.81757	0.3
79.05476	0.5
81.03388	0.7
81.07037	0.8
83.04951	0.5
83.08634	0.4
84.08138	0.6
85.02876	1.0
86.09689	0.5
87.04411	0.4
91.03947	0.5
91.05462	0.8
93.07034	0.6
95.08573	0.6
97.02888	0.6
97.06510	1.0
98.97545	0.5
105.07024	0.8
107.04959	0.4
107.08572	0.9
107.63532	0.3
109.10168	0.4
110.97569	0.5
115.00688	0.4
115.21541	0.3
119.04952	0.5
120.08076	0.4
121.67881	0.3
122.69588	0.3
131.08528	0.5
135.04407	0.5
137.02774	0.5
139.00652	1.0
147.04398	1.8
147.11723	0.5
148.04684	0.4
151.00636	0.6
153.01823	3.1
155.32117	0.3
157.01697	0.8
165.02190	0.5
167.03760	1.3
169.01675	0.6
171.03236	1.2
185.04839	5.2
187.02806	0.6
195.06923	0.5
197.04872	0.5
199.06406	0.8
203.03760	0.5
203.05885	4.1
205.05305	0.7
211.06400	2.5
219.07138	0.4
221.08485	1.0
223.06490	1.7
229.05029	0.9
229.07487	1.5
231.06895	1.3
237.07986	1.5
239.09610	0.9
241.07472	1.1
241.11012	0.8
246.93329	0.4
249.07964	10.6
249.10373	0.7
255.09079	2.0
257.04471	14.7
258.05191	2.9
267.09039	94.8
271.06073	0.5
282.05212	0.5
285.10098	76.7
286.04718	5.9
286.10382	0.6
287.05527	6.6
287.16449	0.4
290.10623	5.2
299.05661	2.0
299.11661	57.1
303.11124	1.2
308.11731	4.9
310.04593	0.5
311.05475	6.7
313.07101	1.5
317.12714	51.5
323.05569	0.7
324.06308	0.4
325.07144	1.5
339.08649	5.5
340.14288	7.8
355.11703	2.6
365.10040	1.0
383.11255	100.0
384.11691	1.2
396.74313	0.4
401.18649	0.4
459.20889	0.4
509.23904	1.9
515.24774	0.5
527.25427	4.6
541.26044	0.6
559.14435	7.6
559.27686	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	559.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07047	0.4
70.96010	0.2
70.96332	0.2
74.89183	0.2
81.03397	0.2
81.07046	0.3
93.06988	0.2
95.08598	0.2
97.06508	0.5
109.10133	0.3
153.01822	1.1
203.03362	0.7
229.05016	1.1
230.99281	0.2
241.04926	0.2
242.05695	0.3
257.04462	24.5
258.05252	14.3
259.06027	0.5
269.04370	0.2
285.03952	0.4
286.04724	39.1
287.05511	12.4
297.07581	0.3
312.30750	0.2
355.11807	0.5
383.11255	100.0
384.11572	1.0
454.81851	0.2
455.26038	0.3
456.31390	0.2
515.29138	0.2
559.14478	9.7
559.27838	0.6
585.90710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.1
55.05515	2.0
57.03421	0.1
58.48780	0.1
61.14177	0.1
64.17281	0.1
66.51588	0.1
67.01846	0.2
67.05494	0.2
68.99792	0.4
69.03417	0.3
69.07047	0.2
70.06582	0.2
79.05479	0.1
81.03440	0.2
81.07031	0.2
83.04971	0.2
84.08146	0.3
85.02885	0.4
86.09708	0.2
91.03980	0.2
91.05489	0.2
93.07057	0.2
95.04976	0.1
96.56170	0.1
97.06525	0.2
107.08550	0.2
123.04416	0.3
123.25025	0.1
127.03976	0.2
128.06218	0.4
129.07002	0.3
131.04897	0.2
131.08472	0.2
132.72005	0.1
137.05983	0.2
139.03903	1.9
141.06923	0.2
143.04944	0.3
143.08537	0.9
147.04419	0.9
153.01834	18.7
155.08560	0.4
157.10187	0.2
159.08113	0.2
160.05258	0.2
161.02370	0.3
161.05962	1.0
163.03925	0.2
165.07016	0.3
167.07048	1.1
167.08350	0.2
167.84044	0.1
169.06479	0.2
171.02988	0.1
171.04448	0.1
171.08057	0.5
173.06024	0.3
175.03940	0.3
175.07503	0.2
177.05504	0.2
183.08031	0.2
185.09660	0.2
187.07576	0.2
189.05481	0.6
189.09070	0.3
193.31436	0.2
195.08151	0.3
201.09151	0.3
203.03442	0.3
211.07509	0.4
213.09126	0.5
215.03503	0.1
215.07095	0.1
225.05537	0.2
229.05019	0.5
229.08591	0.3
231.10086	0.2
237.05501	1.0
239.07095	0.1
241.04898	0.2
243.06392	0.2
253.04993	1.1
257.04510	1.9
258.05243	4.1
258.07831	0.2
265.04990	2.5
266.05829	0.3
267.06534	0.5
269.04507	0.4
271.06042	0.4
277.05246	0.1
281.04446	2.6
281.07330	0.2
282.05240	0.5
283.06070	0.3
285.04019	0.3
286.04724	9.3
287.05438	1.3
293.04437	0.7
294.05170	0.4
295.06027	2.1
296.06287	0.2
297.03983	2.9
297.07202	0.2
298.04672	1.0
299.05502	2.3
307.06198	0.2
308.06717	0.3
309.03937	1.6
310.04657	1.4
311.05508	16.7
313.03448	1.9
313.07104	0.4
318.05292	0.2
322.05011	0.2
323.05530	7.2
323.08734	0.3
324.06113	0.2
325.07095	0.4
326.04306	0.3
327.05038	2.2
332.06744	0.3
335.05453	0.2
339.08658	2.5
347.08902	0.2
353.10367	0.7
355.08102	0.2
355.11771	5.0
365.10141	1.4
383.11252	100.0
384.11627	0.9
439.09930	0.2
515.30011	0.2
535.58704	0.2
541.13416	0.2
550.37512	0.2
559.14484	9.5
559.28033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01847	1.0
55.05479	1.8
55.05715	0.4
56.05012	0.9
57.03398	1.6
59.88230	0.4
61.02932	3.0
65.74298	0.4
65.86092	0.5
67.05502	6.7
68.05029	6.1
69.03436	3.4
69.07026	1.8
69.59496	3.1
70.06593	18.3
71.04957	0.8
72.04550	0.4
72.08146	0.8
73.02930	3.0
79.05495	6.4
80.04985	1.3
81.03403	1.2
81.07054	6.6
82.06544	0.9
83.04970	0.5
83.08573	0.6
84.04481	0.9
84.08098	1.3
85.02916	3.4
86.09666	1.5
87.04456	1.0
91.03928	1.3
91.05484	6.0
93.05777	0.9
93.07051	6.0
94.06522	1.1
95.04958	0.8
95.08600	4.4
96.08079	0.6
96.12572	0.5
97.02878	2.7
97.06475	0.6
98.97580	0.7
100.07626	3.9
101.02364	0.5
105.07026	3.6
106.06563	3.7
107.08594	2.9
108.08128	2.7
109.06493	0.8
109.10108	1.1
111.08067	0.7
114.04847	0.6
114.05537	8.9
116.07064	1.2
117.06989	2.3
118.06532	1.3
119.04950	0.5
119.08546	1.1
120.08103	6.0
121.10094	1.4
122.09635	1.7
127.03886	1.2
128.07080	4.5
128.48795	0.5
129.06915	0.8
131.08603	2.3
132.08066	1.2
133.10088	0.6
134.09656	9.2
135.10378	1.9
135.11615	0.6
136.07541	0.8
136.11136	1.5
140.07027	0.7
145.10054	1.3
146.09648	1.1
147.04388	1.2
147.10419	0.5
147.11621	0.7
148.11211	6.6
149.09459	0.6
152.07066	1.1
152.10648	0.6
154.08638	2.2
160.11140	0.6
162.12772	1.0
164.07059	7.0
166.08627	0.8
173.13237	1.7
177.07787	0.6
178.08644	4.0
179.09413	1.4
180.10202	17.1
189.12675	0.5
191.14265	0.7
192.10184	0.6
193.10899	0.6
194.08167	2.7
194.11768	1.0
206.11797	0.7
212.10240	0.5
219.82672	0.5
258.18539	3.4
260.20111	1.7
265.17990	1.9
274.18030	0.7
276.19614	13.1
278.21097	3.5
302.17444	1.6
304.19086	35.0
316.22766	0.5
322.20148	11.1
334.23761	15.0
350.23404	2.2
378.22787	16.5
396.23831	82.5
397.23914	1.0
438.25192	0.6
496.29047	2.9
540.28052	1.8
558.29114	100.0
559.29303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01870	3.8
55.05494	3.4
57.03420	2.9
61.02913	6.3
64.61368	2.2
67.05500	4.7
67.12440	1.8
69.03419	9.9
69.39754	16.0
70.06599	36.2
72.08144	7.8
73.02895	2.5
79.05492	5.2
81.07037	2.2
83.04988	2.4
84.04524	4.2
84.08135	6.4
85.02907	23.3
86.09745	10.1
91.05482	17.1
93.07037	4.8
95.04946	5.4
97.02905	9.7
97.06516	2.0
98.20710	2.2
98.97573	3.2
100.38826	2.0
103.05480	25.5
105.07034	11.0
107.04967	28.5
109.02892	3.6
109.06502	2.7
115.05474	5.1
117.07008	2.5
119.04955	19.2
120.08076	3.7
121.06503	6.9
122.03647	4.1
122.07272	2.5
127.03917	4.8
129.07033	5.1
129.10223	6.4
130.04150	3.4
131.04935	38.6
131.08582	3.5
133.06448	7.1
135.08026	8.0
137.05991	100.0
145.04968	3.8
145.06342	2.7
145.46048	2.2
147.04407	23.2
147.07982	2.7
148.05070	2.8
149.05992	12.8
150.06808	2.4
151.07559	34.6
157.06528	2.4
161.05995	73.3
161.09531	11.3
162.06738	6.0
163.07555	87.1
165.09094	3.9
167.08595	3.2
174.06804	4.1
175.07558	17.3
177.05493	3.5
177.09145	20.8
179.07025	14.3
181.06659	2.7
181.08556	10.4
187.07579	2.4
189.09138	42.3
191.07091	4.2
195.07999	6.9
199.10799	2.3
207.08218	3.7
207.10181	67.2
215.07022	2.3
219.10196	10.4
221.06108	2.3
221.09837	2.2
221.11748	8.6
223.07539	3.2
225.09085	2.9
227.10521	11.3
253.08783	2.3
253.12224	2.5
255.10205	5.5
257.07932	2.0
265.08408	2.4
269.07855	2.8
279.31754	2.1
281.11874	2.6
285.11176	7.9
287.12820	21.1
297.11069	3.1
299.12708	3.4
311.12802	17.5
313.14246	22.2
331.15411	57.1
333.11972	4.2
343.15393	13.9
358.19577	13.7
558.23907	2.4
558.30341	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	557.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
67.05495	1.1
69.07072	0.7
71.27262	0.9
79.05496	1.5
81.07069	0.9
81.22297	0.4
83.08573	0.4
85.76789	0.4
87.50909	0.5
88.07676	0.6
89.06039	0.7
91.05469	0.6
93.07046	2.7
95.08617	0.8
95.41796	0.4
107.08599	1.2
110.05800	0.5
114.63002	0.5
121.10143	0.9
135.11653	0.6
136.57716	0.5
164.18607	0.4
256.26349	1.2
267.12061	100.0
284.29456	0.7
290.36487	0.5
291.23376	0.8
314.38272	0.5
557.34460	7.1
557.52924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04188	0.3
51.91957	0.3
58.01642	0.4
61.44123	0.3
70.06560	0.3
70.86758	0.6
70.87105	0.4
72.71100	0.4
81.07079	0.5
88.37944	0.3
89.06039	0.5
90.98824	0.4
107.08598	0.5
109.10207	0.3
133.08624	0.8
149.09590	0.3
176.88625	0.4
436.34146	0.4
441.75043	0.3
557.38159	100.0
558.38391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
67.05490	0.8
67.30485	0.2
68.48425	0.2
69.07067	0.6
71.43616	0.4
78.69586	0.2
79.05470	0.8
79.60791	0.2
81.07030	0.7
83.08643	0.2
89.06010	0.5
91.05494	0.4
93.07032	1.0
95.08601	0.7
102.80428	0.2
104.09514	0.2
105.06955	0.2
107.08574	0.8
109.10161	0.4
112.85856	0.3
121.10161	0.3
122.23322	0.2
135.11627	0.3
183.42319	0.3
188.94199	0.3
229.48883	0.2
256.26260	0.6
281.13596	100.0
282.13980	0.8
349.44269	0.3
508.58652	0.2
557.33746	1.2
562.23138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	1.7
58.99891	0.8
63.84243	0.7
69.03453	2.4
70.99887	0.8
71.55662	0.8
73.02905	0.7
77.00941	0.8
81.03468	1.2
82.99477	1.0
82.99929	2.4
84.96033	1.2
85.02934	3.3
88.55177	0.7
89.00946	1.0
94.99883	1.3
97.02926	3.2
98.97626	3.0
101.00883	20.2
103.00687	2.0
103.02507	1.5
105.00432	1.2
105.07213	0.7
109.01428	1.4
109.02905	1.1
110.03418	0.7
110.97628	1.1
112.51630	0.7
113.00864	5.1
115.02443	1.3
116.98685	1.5
117.04028	1.5
119.01926	36.2
121.01697	2.5
121.03563	0.8
127.02409	8.6
127.03944	1.1
129.04012	1.9
131.01917	16.3
131.02829	1.1
133.03488	5.5
135.05009	1.2
137.00864	1.1
137.02963	4.1
138.05542	1.0
139.02467	1.7
141.04031	2.1
143.00227	1.4
143.01904	33.7
145.01712	1.7
145.03470	35.5
146.99689	1.0
147.01404	1.9
147.03230	1.6
147.04436	3.9
149.03029	2.5
151.04572	1.1
152.02466	0.9
153.03998	2.4
155.01892	22.1
155.03102	1.4
157.01662	0.9
157.03461	9.2
158.99695	1.5
159.05052	9.9
161.02960	29.9
163.02650	1.4
163.04579	5.6
163.05751	1.0
165.04292	1.6
167.01895	12.0
169.03470	39.8
170.99803	0.9
171.01424	3.5
171.03581	1.1
171.05048	9.1
173.02972	24.6
175.02899	1.1
175.04570	3.4
177.00746	1.5
177.02412	0.8
177.06102	1.2
179.01875	5.1
181.03462	6.0
182.99692	1.0
183.05058	2.3
184.04597	1.0
185.02966	49.3
187.02873	2.2
187.04523	52.5
188.04720	0.9
189.00838	0.8
189.02478	9.0
189.04301	2.8
189.06087	2.2
191.04111	2.3
193.03557	1.3
195.01451	1.2
195.04967	0.9
197.02953	20.1
197.04785	1.3
197.06584	1.1
199.02805	1.6
199.04541	11.8
201.00722	2.1
201.02402	0.8
201.06075	1.8
203.02344	0.6
203.04002	15.6
205.03584	1.4
207.03537	1.7
207.05360	1.5
208.04507	1.2
209.02922	1.4
210.06184	1.9
211.04559	8.5
213.02448	13.0
213.06078	2.3
215.00531	1.3
215.02104	1.3
215.04021	15.5
217.03720	0.8
217.05650	1.8
219.01775	1.8
221.05128	3.2
223.04576	2.8
225.02504	4.0
227.04045	11.0
229.05589	2.8
231.03474	15.9
231.05479	2.6
233.03314	2.2
237.02728	2.4
239.04050	2.0
243.03580	3.5
245.05087	100.0
246.05357	2.3
247.04774	4.8
249.04590	1.2
253.05623	1.3
254.05121	0.8
255.03596	1.5
257.01346	3.6
257.05011	4.5
261.02838	2.4
263.06116	12.3
267.03354	0.9
271.06674	7.9
273.04492	2.2
275.02469	31.7
275.06085	54.9
279.03915	0.9
285.04468	0.9
286.07767	0.7
287.02441	11.0
287.06067	3.9
289.07565	1.8
293.03488	6.1
293.07132	6.8
295.08615	2.8
297.04733	1.2
299.02756	0.8
305.03516	10.8
305.07147	14.2
315.05557	2.6
316.08707	1.1
317.03653	1.4
317.07095	2.2
319.08618	1.0
333.06583	2.3
335.04514	11.9
335.08170	9.7
341.03461	3.1
347.08017	0.9
359.04510	8.3
365.09348	14.8
377.05487	27.6
395.06570	44.5
413.07751	0.9
437.07440	1.6
439.12814	2.1
464.33145	0.8
481.54642	0.8
500.80612	0.7
538.27802	0.9
539.10748	5.5
539.28571	1.0
557.11682	27.3
557.29132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01866	2.9
55.05526	4.1
56.05027	3.4
57.03433	3.4
57.07074	1.1
58.06594	0.9
60.04530	35.9
61.07935	0.9
62.45405	0.8
62.69868	0.8
63.63290	0.9
67.05507	7.6
68.05022	3.8
69.03436	4.4
69.07070	3.3
70.06586	3.0
71.01330	0.9
71.04985	2.5
71.07817	2.0
72.04512	3.7
73.02918	3.4
74.06049	0.9
79.05487	5.2
80.05029	12.0
81.03421	1.4
81.07049	7.1
82.06571	2.8
83.04977	2.6
83.08633	1.5
84.04520	1.6
85.02496	1.0
85.02913	10.8
85.06559	2.1
86.06057	1.8
87.00859	1.1
90.05558	7.6
91.05481	3.9
92.04990	1.3
93.07057	6.1
94.06583	6.9
95.04954	0.8
95.08607	6.0
96.04465	4.3
96.08127	2.1
97.02918	1.5
97.06548	1.3
98.06067	3.2
101.06057	1.0
103.03943	2.9
105.07039	2.7
106.06557	2.0
107.08595	3.1
108.08136	1.8
109.10168	2.4
110.06074	5.7
111.08074	5.4
113.02372	1.1
114.05544	3.5
115.41643	0.9
117.07055	1.0
119.08604	1.8
120.08098	3.0
121.10177	2.1
122.06056	3.0
124.07624	1.7
131.03442	0.9
132.06577	31.0
132.08083	1.8
133.10161	1.1
134.09694	1.1
135.11696	1.3
136.07578	1.1
141.01888	1.2
142.08673	1.4
145.10130	1.6
147.11713	1.2
159.02917	1.2
168.13800	1.4
174.12860	1.3
179.14337	2.3
192.13850	1.1
193.15912	1.3
204.13828	2.3
206.15497	2.2
208.17093	1.0
211.16925	2.1
222.14987	1.4
222.18549	1.5
224.20099	3.7
232.16988	2.3
234.14902	1.8
234.18636	1.2
237.18419	4.2
238.21709	1.9
244.17021	1.7
244.20792	0.9
248.20079	3.1
250.21864	1.5
252.19637	1.3
260.20129	16.8
262.18121	2.7
262.21686	6.0
264.19751	1.1
266.21167	8.1
272.20145	10.3
278.21179	7.9
280.19321	1.1
280.22537	1.6
290.21149	26.6
298.20230	1.1
308.22128	12.7
324.45813	0.9
326.23254	18.7
326.26910	1.2
344.24326	21.0
344.28522	1.3
362.25388	39.1
365.70599	0.8
473.68118	0.8
502.26450	1.8
520.27582	27.0
538.28625	100.0
556.29675	86.2
557.29669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.4
55.05501	2.5
56.05025	3.4
57.03429	3.0
60.04528	31.2
67.05508	6.2
68.05042	4.9
69.03435	5.2
69.07054	3.5
70.06577	3.4
70.80853	1.5
70.81190	1.2
71.04998	5.3
72.04505	4.0
72.08159	0.8
73.02911	4.0
75.49346	0.7
78.60394	1.1
79.05495	4.9
80.05010	9.1
81.03411	3.7
81.07057	8.2
82.06594	2.1
83.01391	0.8
83.04968	0.8
83.08607	0.8
84.04501	2.1
84.08117	0.9
85.02903	8.5
85.06533	1.8
86.06040	2.0
90.05569	4.8
91.05473	4.1
92.05010	1.1
93.07047	5.9
94.06576	6.1
95.08633	4.8
96.04479	3.2
96.08113	1.8
97.06538	8.3
98.06058	3.4
100.07616	0.9
103.03963	1.6
105.07051	2.8
106.06552	1.6
107.08588	3.0
108.08119	1.7
109.10166	1.9
110.06033	5.7
111.08073	3.2
113.02378	1.5
114.05537	2.3
116.07081	1.7
118.53008	0.9
119.08611	1.7
120.08115	3.5
121.10138	2.0
122.06048	2.2
122.09616	0.9
122.63766	0.8
123.11723	0.9
124.07604	2.1
130.14714	0.8
131.03325	1.0
131.08572	2.1
132.06569	30.7
132.08122	2.0
133.10123	0.9
134.09660	2.3
135.11713	1.7
141.01828	2.1
145.10114	1.4
150.09149	0.8
159.02907	1.6
188.14403	1.7
204.13857	1.3
211.17004	2.9
212.03990	0.9
218.15421	1.3
220.17006	1.1
222.18550	1.0
224.20085	3.1
237.18501	4.8
244.20625	1.1
248.16496	1.2
248.20175	2.9
250.21619	1.9
260.20129	14.6
262.17987	1.3
262.21713	5.2
266.21140	8.6
272.20105	9.2
278.21158	6.2
284.22339	1.1
290.21149	26.1
308.22177	11.7
326.23251	23.1
326.26947	1.4
344.24298	21.8
362.25363	33.3
484.25250	1.1
502.26846	2.6
520.27576	24.8
520.35010	1.7
538.28583	100.0
539.28540	1.6
556.29663	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.01856	5.7
55.02111	2.0
55.05518	2.3
56.05032	2.1
60.04541	8.2
61.02914	2.1
65.03919	2.8
67.05504	4.4
69.03436	8.8
69.07070	1.7
69.39322	13.3
70.06602	12.0
71.05006	2.8
72.00938	1.4
72.08157	2.4
73.02924	2.3
79.05508	7.1
80.05035	2.5
81.03420	3.5
81.07054	4.2
84.04520	2.1
84.08138	3.2
85.02905	13.9
86.06052	2.1
86.09690	3.4
90.05570	1.7
91.05489	37.9
93.07033	4.7
94.04195	1.8
94.06569	2.2
95.04967	3.7
96.04526	2.0
97.02904	9.4
98.20695	2.4
99.04455	2.5
103.05476	32.3
105.03408	7.6
105.07043	17.2
106.06528	1.4
107.04938	5.8
107.08614	2.0
108.08082	1.5
109.06513	6.9
109.10194	1.7
111.04439	1.6
115.05442	5.3
117.06993	2.6
119.04955	47.3
119.08594	2.4
120.08090	1.6
121.06486	4.3
121.10131	3.8
122.03622	5.0
123.08058	3.4
124.05227	1.7
124.07442	1.5
127.03883	3.6
129.07008	2.9
130.04089	1.8
131.04932	47.0
132.06573	6.0
133.02837	1.7
133.06462	12.6
133.10107	3.2
135.04367	1.6
135.08058	3.0
136.05196	1.8
136.07587	2.1
137.05984	100.0
143.04956	2.0
145.05025	1.6
145.06395	2.1
147.04431	19.6
147.05550	2.4
147.08022	4.0
149.05988	6.8
151.07553	24.5
157.06532	1.7
159.08087	2.9
159.11679	2.0
160.05159	1.8
161.05991	32.2
162.06766	5.3
163.07550	60.0
165.05481	1.9
167.07042	1.9
172.05180	2.6
175.07559	33.3
177.05487	2.0
179.07048	31.4
183.65088	1.5
187.07541	12.6
191.08585	3.4
193.08603	10.1
193.10042	1.9
201.16508	2.0
203.08591	1.8
205.08578	7.2
217.08632	5.8
219.08067	4.7
219.10168	2.7
235.09616	3.3
240.04559	1.5
247.07559	2.9
251.10751	4.7
279.10080	4.7
290.21011	2.3
291.10181	2.9
296.10355	1.8
297.11407	1.8
309.11224	22.6
311.12808	20.5
316.40723	1.5
323.12592	4.8
323.44977	1.5
325.14545	1.8
326.23254	2.4
328.24573	3.2
329.13742	2.0
330.26126	4.6
340.19296	2.1
341.13885	14.4
344.24304	2.4
346.25507	4.5
358.20383	4.5
362.25388	4.2
363.25476	2.1
364.26163	5.6
394.22534	2.3
445.51553	1.7
506.28885	1.9
524.29840	17.7
533.27478	1.6
538.30267	7.8
556.32709	16.1
570.18555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.7
55.05520	1.6
56.05009	1.0
57.03430	1.7
60.04524	7.1
61.02911	1.8
65.03933	2.4
66.07973	1.2
67.05491	2.5
68.05019	1.3
69.03434	7.0
69.07061	1.5
69.22671	10.8
70.06582	7.0
71.04984	3.4
72.08156	1.6
73.02908	1.9
79.05495	6.9
80.04999	3.0
81.03400	1.8
81.07045	3.1
84.08139	2.3
85.02911	10.1
86.09718	2.0
88.02206	2.0
91.05482	38.2
93.07037	3.8
94.06559	3.0
95.04976	2.8
95.08592	3.1
96.08054	1.2
97.02905	6.8
97.06548	2.5
103.05463	23.6
105.03376	8.7
105.07032	15.9
107.04969	5.7
107.08567	2.4
109.06521	7.4
109.10152	2.6
110.06071	1.9
115.05439	3.6
117.07004	1.4
118.04133	1.3
119.04944	53.9
119.08549	3.9
120.08097	1.3
121.06475	3.0
121.10140	3.2
122.03635	4.5
123.08056	3.7
127.03900	4.1
129.07018	1.8
131.04930	45.6
132.05652	1.6
132.06557	4.0
133.02863	2.1
133.06517	13.6
133.10143	3.2
134.02699	1.8
134.03615	1.1
135.04396	1.5
135.08037	2.3
137.05978	100.0
143.04951	1.4
144.05612	1.2
145.04919	1.2
145.06447	2.8
147.04398	17.8
147.07997	3.5
147.11708	1.5
149.05971	5.8
150.06636	1.8
151.07544	23.9
157.06497	1.8
159.08064	2.8
159.11754	1.2
160.05223	2.0
161.04655	1.6
161.05983	29.7
162.06796	5.6
163.07555	53.3
164.08336	1.7
165.05455	2.2
172.05197	1.8
175.07544	31.6
177.05498	1.8
177.09105	1.4
179.07040	28.3
187.07497	16.2
189.09071	2.0
191.08536	2.8
193.08595	11.1
199.07629	1.3
200.60257	1.1
202.07637	1.0
203.08632	1.9
205.08594	11.0
215.29280	1.1
217.08586	6.9
219.08049	3.5
219.10150	3.9
220.08679	1.4
224.08307	1.4
231.07922	2.2
235.09674	3.5
247.07431	2.8
251.10658	3.0
259.07520	2.5
279.10193	5.6
290.21216	2.1
291.10132	3.1
296.10376	1.6
309.11230	20.2
311.12769	17.2
323.12842	4.9
328.24533	2.4
329.13721	2.0
330.26221	3.2
340.19397	2.9
341.13785	11.7
346.25357	1.8
358.20554	6.1
363.25818	1.4
364.26285	2.5
376.21408	3.4
394.22311	3.2
506.28845	1.8
524.29852	9.9
538.31006	5.5
556.33002	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	555.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.2
55.01876	8.3
55.05520	27.9
56.96553	17.9
57.03441	4.4
57.07068	12.0
61.02913	7.2
67.05508	41.7
69.03432	40.4
69.07065	31.9
70.98123	6.0
71.05002	24.8
71.08656	4.5
71.36396	5.9
72.36101	4.1
72.97337	3.2
73.02924	7.8
76.39920	3.4
79.05488	26.1
81.03414	37.8
81.07062	100.0
83.04987	5.1
83.08613	14.2
85.02425	5.5
85.02907	69.9
87.00838	33.7
87.04452	4.5
91.03973	3.8
91.05494	26.1
93.07058	45.8
95.04953	8.4
95.08602	54.1
97.02891	25.0
97.06525	12.7
97.10168	11.7
99.04463	12.6
99.08112	4.5
105.01874	26.6
105.07013	34.5
107.08606	55.3
108.08893	4.0
109.02869	23.1
109.10158	59.6
111.11652	3.9
114.07247	6.3
115.03910	10.6
117.07025	6.5
119.08581	40.1
121.10167	28.1
121.95609	4.3
123.08067	5.0
123.11729	24.9
125.09634	12.9
127.03915	50.3
127.11223	42.3
129.06964	4.1
131.00165	4.9
131.08604	11.5
133.10133	19.3
135.11734	19.7
137.09622	8.6
137.13295	7.7
143.08525	6.6
143.10628	8.5
145.04950	16.6
145.10129	21.1
147.02873	4.9
147.11702	21.4
149.01196	5.4
149.13283	43.5
157.10065	5.5
159.02858	14.4
159.11696	17.3
161.13254	18.7
163.14825	28.4
171.11736	5.6
173.09641	5.0
173.13263	15.8
175.14883	10.3
175.99945	3.6
177.16354	4.1
187.14832	14.1
189.16350	9.3
191.17958	12.8
201.16377	10.7
203.17950	34.0
203.60201	3.8
212.10606	10.2
213.16267	4.0
215.17932	6.9
216.09209	4.5
217.19479	9.0
219.05026	4.1
221.19077	6.2
223.06915	3.9
229.07475	8.9
231.04962	9.3
231.21141	5.6
243.09007	10.8
247.04388	5.2
256.26312	7.1
261.09988	5.1
265.11261	7.1
269.10580	6.4
271.24240	26.7
273.25812	7.6
275.20239	6.1
280.49927	4.2
282.26041	33.7
283.12198	14.1
287.23480	5.1
289.25262	69.7
297.61749	5.3
297.75818	4.7
307.26404	9.7
331.17877	6.0
334.69775	4.4
363.18317	13.4
374.22165	4.6
374.72156	10.9
383.22592	6.3
383.72824	28.0
384.22812	5.6
386.85516	4.3
397.27744	3.8
519.29193	4.6
555.30573	8.5
555.52502	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	554.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	3.0
56.05032	1.9
57.03439	2.3
60.04528	23.5
60.18557	0.7
61.02921	2.7
67.05506	6.4
68.05026	2.5
69.03434	11.4
69.07077	1.1
70.06602	1.0
71.04997	8.1
71.12454	1.5
72.04511	2.0
73.02923	1.7
79.05489	7.5
80.05014	3.3
81.03425	6.3
81.07062	3.3
82.06586	2.1
83.04993	2.1
84.04499	2.0
85.02904	14.7
85.06517	1.1
86.06053	1.8
87.04474	8.5
90.05544	3.0
91.03945	0.9
91.05488	6.6
93.07050	4.3
94.06581	4.8
95.04969	2.7
95.08635	1.9
96.04501	2.8
96.08103	1.2
97.02884	7.1
97.06533	7.7
98.06065	3.0
98.97570	0.8
99.04465	1.1
102.05540	0.8
103.05466	0.7
105.07043	2.5
106.06540	4.7
107.04960	1.5
107.08588	4.8
108.04454	0.9
108.08134	1.4
109.02866	1.6
109.05222	0.9
109.06538	1.0
109.10142	1.5
110.06033	7.6
112.07609	1.0
114.05560	1.3
117.07018	1.3
118.06550	1.5
119.07308	0.8
119.08592	4.3
120.08099	1.5
121.06496	1.0
121.10155	2.5
122.06024	7.7
123.08089	4.2
124.07622	1.8
127.03952	2.5
129.07022	1.9
131.08577	2.6
132.06570	17.5
132.08076	1.6
133.06503	1.5
133.10118	2.3
135.08040	1.4
136.07579	5.5
137.09637	3.1
140.07083	5.1
142.08638	2.5
145.04959	1.3
145.10126	2.0
145.87239	0.7
146.08098	1.6
147.04514	0.9
147.08035	1.2
148.07640	1.1
149.09628	1.1
150.09117	1.6
152.07094	2.1
153.09140	1.2
154.08675	2.1
157.10149	2.0
158.08119	15.2
159.11668	0.8
161.09581	1.4
162.07622	1.5
163.11229	3.4
164.07117	1.3
165.09151	0.8
166.08664	1.7
170.08180	1.0
171.11703	0.9
174.07596	0.8
175.11160	4.8
177.12730	1.0
178.72305	0.7
179.10727	1.7
182.08220	1.6
187.11282	1.3
188.09200	2.4
188.10739	1.2
189.12779	2.2
193.12209	7.0
196.02480	0.7
202.10748	1.3
205.12259	1.9
225.19122	0.8
234.14903	1.3
252.16069	1.9
254.15547	1.9
260.16360	0.8
266.15305	1.0
270.17093	1.9
272.16428	2.6
274.18256	1.1
284.16461	2.7
290.17493	1.5
302.17538	6.7
320.18573	10.1
327.73041	0.8
338.19617	26.6
338.23520	1.4
356.20691	28.5
374.21732	30.8
392.22772	36.2
518.25793	4.4
536.26984	28.8
554.28094	100.0
555.28381	1.1
580.32202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78537	0.6
53.03942	1.8
55.01871	3.9
55.05513	0.9
56.05027	0.8
56.23199	0.7
57.03433	2.1
60.04531	20.0
61.02927	2.1
67.05509	4.8
68.05031	2.3
69.03439	10.6
69.07037	0.8
69.84161	4.1
70.06591	0.9
71.04992	8.4
72.04538	1.7
73.02913	2.2
74.06090	0.7
77.47101	0.6
79.05500	6.7
80.05020	3.6
81.03420	4.8
81.07075	3.4
82.06561	1.0
83.04965	1.6
84.04523	1.6
85.02908	13.1
85.06538	1.0
86.06022	0.7
87.04472	6.5
90.05553	1.4
91.03944	1.4
91.05502	4.2
93.07035	3.5
94.06592	3.9
95.04984	2.5
95.08621	1.9
96.04481	1.6
97.02904	5.7
97.06526	7.3
98.06057	2.8
99.04443	1.2
105.07061	2.3
106.06556	4.1
107.04954	1.6
107.08600	5.3
108.08080	1.2
109.02867	1.9
109.06509	0.9
109.10173	1.7
110.06055	7.5
111.04411	0.9
111.08104	0.8
112.07542	0.9
114.05553	1.4
117.07034	1.6
118.06575	1.2
119.08582	3.6
120.08107	2.1
121.06533	1.6
121.10141	1.8
122.06041	7.4
123.08076	3.4
124.07626	1.3
127.03942	1.7
129.06960	1.0
130.05029	1.0
130.30042	0.7
131.08572	2.9
132.06570	15.8
133.06570	1.1
133.10117	2.2
135.08041	1.0
136.07571	3.9
137.09647	3.9
140.07080	5.0
142.08656	2.1
145.04904	0.9
147.08061	1.4
148.07564	1.3
150.09198	1.1
152.07106	1.1
154.08633	1.6
157.10170	1.6
158.08134	12.1
161.09654	1.1
162.07619	1.1
163.11223	2.9
164.07179	1.1
166.08690	0.9
174.07678	0.9
174.64192	0.8
175.11191	5.1
177.12756	0.9
179.10698	1.7
182.08093	1.5
188.09245	1.6
189.12863	1.3
193.12288	6.1
202.10692	1.1
205.12263	1.2
216.13828	1.0
243.13608	0.8
252.15878	1.5
254.15607	1.0
270.16946	2.0
272.16513	2.5
284.16553	2.6
290.17572	1.9
294.17075	0.8
302.17505	6.9
320.18588	9.4
338.19629	23.4
338.23566	1.4
356.20718	23.5
365.78500	0.8
374.21774	23.8
392.22827	21.4
518.25537	1.6
536.27063	34.9
554.28107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05499	0.9
56.05032	0.5
60.04531	1.4
65.03934	0.6
67.02979	0.2
67.05492	1.2
69.03430	0.8
69.07073	0.7
69.35277	2.2
70.06586	1.4
71.04967	0.4
79.05495	1.2
80.05018	0.7
81.03400	1.1
81.07058	3.4
82.06561	0.4
82.07379	0.3
83.08641	0.5
84.04498	1.5
85.02901	1.8
86.06071	0.6
87.00819	0.5
91.05482	8.0
93.07057	1.7
94.06572	1.4
95.04969	0.5
95.08594	1.2
96.08136	0.9
97.02876	1.1
97.06520	0.4
99.04470	0.6
102.05536	0.7
105.01842	0.4
105.07030	1.6
106.06571	0.5
107.04942	0.5
107.08575	1.5
108.08109	0.5
109.02865	0.8
109.06505	0.4
109.10146	1.2
110.09686	0.4
116.10740	0.4
118.52625	0.3
119.04948	19.2
119.08598	1.4
120.08091	0.5
121.10115	0.7
122.09658	0.7
123.11733	0.5
127.03918	1.2
130.04959	0.7
131.08574	0.8
133.10164	0.4
134.09647	3.7
135.10463	0.4
135.11684	0.8
136.11212	0.6
137.09605	0.3
138.13667	0.3
142.08638	0.8
145.10159	0.6
146.09645	0.4
147.04413	68.1
147.11705	1.1
148.06006	0.3
148.11195	2.6
149.11998	0.9
149.13159	0.5
150.12817	0.6
151.11185	0.3
157.10205	0.4
159.02855	0.5
159.11737	0.8
161.13283	0.5
162.12820	0.9
164.14348	0.5
173.13255	0.3
174.12851	0.4
176.14331	0.6
178.15991	0.8
188.07097	0.3
189.16446	0.3
190.15962	0.5
192.17467	3.2
194.15457	0.4
194.45932	0.2
201.16374	0.5
204.17450	0.8
212.16476	4.3
215.18037	0.4
238.18039	2.0
256.19110	0.4
269.22638	0.5
287.23752	0.9
316.26389	0.3
318.27869	0.6
320.48093	0.3
330.27820	0.5
333.29019	1.1
341.29355	0.6
348.28967	0.3
351.27936	0.3
359.30630	0.8
365.28067	1.0
371.30655	1.0
385.23459	2.5
389.31647	0.4
405.31201	0.5
407.32684	73.8
408.32858	0.5
433.30734	0.3
492.29288	0.3
535.34985	1.7
553.36340	100.0
554.36798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.05499	0.6
56.05021	0.6
57.03427	0.3
60.04528	1.4
61.02922	0.4
65.03945	1.1
67.05505	1.2
69.03416	0.3
69.07053	0.6
70.06577	0.5
70.14790	0.5
70.15182	0.6
72.04527	0.2
79.05493	0.7
80.05019	0.9
81.03418	0.3
81.07074	1.5
82.06586	0.3
82.08636	0.2
83.07309	0.2
84.08141	0.4
85.02914	0.4
91.05479	8.3
93.07030	0.9
94.06573	1.7
95.08585	0.6
96.04508	0.2
96.08134	1.0
97.02875	0.3
97.08899	1.2
97.10162	0.2
98.21416	0.3
105.07014	0.8
106.06572	1.7
107.04958	0.5
107.07335	0.6
107.08582	0.5
108.08118	0.9
109.08892	0.3
109.10174	0.5
110.06049	0.4
110.09682	0.6
117.07021	0.2
118.06528	0.3
119.04946	23.6
119.08590	0.7
120.08119	2.1
121.08947	0.9
121.10123	0.6
122.09676	1.0
123.10394	0.2
131.04945	0.4
131.08536	0.5
132.08092	0.3
133.08870	0.3
133.10095	0.4
134.09657	7.9
135.10448	0.7
136.11212	0.9
143.08556	0.3
145.10136	0.4
146.09651	0.3
147.04413	73.5
147.11688	0.4
148.04803	0.3
148.11192	2.6
149.12039	0.3
150.12791	0.4
159.11714	0.2
160.07607	0.4
160.11259	0.2
162.12817	1.6
163.13567	0.9
164.14363	1.4
170.99648	0.2
174.12840	0.3
176.14304	0.9
178.15877	1.0
188.06927	0.2
188.14412	0.5
190.15977	0.9
192.17513	0.6
201.16467	0.2
204.17531	0.5
206.19060	0.2
214.18124	0.3
216.17317	0.2
218.19055	0.5
229.14323	0.4
232.20732	0.3
244.09746	0.2
259.21808	0.2
260.23685	0.6
272.23743	0.8
274.25357	0.4
277.22873	0.3
288.26886	0.4
289.22995	0.3
293.13370	0.5
298.25314	0.2
303.28003	0.5
315.28036	0.3
316.26389	0.4
318.11523	0.5
318.27808	1.3
323.23373	0.6
325.12256	0.8
329.25992	0.2
329.29633	0.7
330.27853	1.6
331.31097	0.3
333.28992	1.9
341.29480	2.5
343.31232	0.5
351.28030	0.4
353.29523	2.6
354.27884	0.3
359.30524	3.6
371.30557	4.9
374.15945	0.7
389.31696	1.1
405.31223	0.6
407.32684	66.9
408.33032	0.6
535.35352	1.6
553.36377	100.0
554.36462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64516	2.1
52.22337	2.2
53.03936	9.6
55.01862	9.7
55.05499	10.1
57.03423	8.7
57.07055	3.0
57.35910	2.0
59.04985	2.2
61.02918	6.7
65.03924	2.5
67.05513	11.3
67.62997	2.1
68.99775	6.3
69.03086	3.1
69.03436	50.0
69.07066	19.4
69.40630	10.3
69.41056	7.4
71.04992	24.7
73.02909	9.0
74.27316	2.2
79.05492	22.1
81.03425	45.3
81.07060	76.4
83.04980	3.0
83.08617	10.9
84.08131	2.6
85.02911	100.0
86.09715	6.7
87.00834	40.2
91.05476	14.7
93.07051	33.5
95.08605	26.4
97.02892	34.7
97.06521	11.2
97.10168	3.5
98.97595	3.4
99.04466	18.4
103.05486	2.1
104.10712	2.8
105.01868	29.7
105.07037	50.6
107.07975	3.5
107.08617	43.8
109.02885	44.8
109.06493	3.7
109.10156	23.2
111.08053	4.8
115.03914	2.8
117.01834	7.8
117.07033	6.5
119.04915	5.0
119.08588	46.4
121.06571	3.5
121.10152	27.5
123.11726	7.9
125.00003	4.9
125.09610	5.4
127.03922	76.6
127.11195	38.5
129.01837	7.6
129.06999	2.9
131.08571	15.2
133.10139	20.8
135.11684	24.4
142.07814	3.5
143.08563	8.5
143.10672	4.6
145.04959	21.1
145.10132	32.7
147.02925	5.8
147.04401	20.9
147.11699	61.2
149.13268	4.4
151.11169	2.8
153.12727	15.1
156.09323	3.1
157.10133	17.9
159.02910	25.6
159.11702	33.1
161.13243	22.7
163.14795	8.7
169.10075	3.6
171.11703	14.3
173.13297	17.9
173.86697	2.2
175.14812	6.9
177.16451	2.7
179.14345	3.4
183.11621	2.9
184.07336	8.7
185.13239	10.0
187.14809	7.5
189.03940	3.4
189.16406	10.9
191.17978	3.2
193.15891	4.6
199.14830	10.1
201.16406	37.1
203.17921	8.0
207.17567	3.8
211.14960	2.6
213.03987	2.8
213.16333	11.5
215.17986	18.4
221.92059	2.4
225.16495	2.7
227.17822	4.4
231.05046	17.4
249.06097	3.5
269.22647	23.3
285.22125	3.1
287.23709	51.8
305.24640	4.5
311.23761	3.6
329.24719	2.1
336.02368	2.7
353.24796	2.2
377.24542	2.8
407.32617	19.5
469.31085	2.3
499.26682	4.4
517.27832	4.2
535.29077	4.4
553.22491	2.3
553.29694	10.0
553.37372	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	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.79179	0.4
56.96572	0.4
67.05505	0.6
70.95844	0.7
79.05486	0.4
93.07037	0.4
95.08604	0.5
100.43154	0.3
185.04268	0.4
203.05333	1.0
209.11533	1.5
259.07925	0.8
261.59805	0.3
295.07883	2.2
317.19769	0.3
319.21854	0.4
337.53049	0.3
391.24609	1.0
553.29858	100.0
554.30164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.3
68.73510	0.2
69.28973	1.4
87.55495	0.2
90.87882	0.2
96.01865	0.3
97.02681	0.3
133.72656	0.2
139.03677	0.2
143.02008	0.2
157.04733	0.4
166.47685	0.2
169.04871	0.2
184.03470	0.4
185.04213	3.0
201.03745	1.0
210.51167	0.2
243.04738	0.2
259.07904	1.4
275.07324	1.0
299.18613	0.4
301.09015	0.5
317.19681	0.6
321.16742	0.2
331.09985	3.5
335.20856	0.2
345.11603	0.5
359.13123	0.7
373.14792	0.9
387.16736	0.4
391.24652	0.9
401.18060	0.6
415.19305	1.1
441.21213	0.3
455.22498	0.9
483.22000	2.3
535.28302	0.7
553.29846	100.0
554.30109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
54.36122	0.2
67.05518	0.2
69.86689	1.0
83.01089	0.6
84.01881	0.2
95.01087	0.7
95.09631	0.2
96.01886	0.5
97.02644	0.2
100.79995	0.2
106.08952	0.2
133.03484	0.4
139.03610	0.3
151.30928	0.2
156.03893	0.3
157.04741	0.3
159.73660	0.2
184.03433	0.7
185.04253	1.3
201.03738	1.1
203.05219	2.2
223.13264	0.2
252.23816	0.2
253.20103	0.3
259.07935	2.7
271.23627	0.2
299.18677	0.4
317.19540	1.0
331.10016	2.6
335.20813	0.5
345.11627	0.6
359.13141	0.6
359.20529	0.3
373.14700	0.6
387.12396	0.2
391.24420	0.8
401.18152	0.5
412.98462	0.2
413.75049	0.2
415.19455	1.1
441.20972	0.4
455.22467	0.7
479.24860	0.4
483.15616	0.3
483.22028	2.6
535.28302	0.5
553.29846	100.0
554.30280	0.9
566.79761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.96560	0.4
59.54307	0.2
62.89922	0.3
67.05490	0.8
69.24431	0.5
69.24835	2.4
79.05480	0.5
81.03409	0.4
81.07069	0.7
85.02872	0.3
86.06542	0.3
91.05480	0.5
95.08559	0.4
98.97557	0.3
105.07016	0.4
107.08578	0.3
117.07057	0.4
122.89539	0.3
131.00156	0.3
133.10149	0.3
185.21631	0.3
203.05331	1.0
241.11079	0.3
242.71686	0.3
252.09407	0.4
259.07928	0.9
286.92358	0.3
299.18723	0.8
315.18369	0.5
317.19656	0.6
335.20624	0.4
359.20520	0.4
391.24371	0.9
535.27728	0.5
553.29840	100.0
554.30078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01863	1.8
55.05503	2.8
57.03419	1.5
59.04988	1.1
60.04533	6.9
61.02917	1.6
61.94303	1.0
65.03947	1.5
67.05508	3.8
68.05044	1.6
69.03441	5.3
69.07073	3.0
70.06600	6.0
71.05000	2.4
71.57014	1.0
71.57376	1.8
72.04495	1.1
72.08148	1.4
73.02919	2.9
75.04467	1.1
77.03921	1.6
79.05496	6.4
80.05025	4.2
81.03420	4.8
81.07070	4.7
82.06583	1.7
83.04948	2.1
83.08656	1.5
83.73298	1.0
84.04498	1.8
84.08155	1.9
85.02911	5.0
85.06546	1.2
86.09721	5.8
87.04471	1.9
91.03979	1.4
91.05476	9.0
93.07061	3.3
94.04210	1.6
94.06580	3.9
95.04955	2.5
95.08625	2.8
97.02905	4.5
97.06528	2.6
98.06057	1.5
98.97597	3.3
102.36861	1.0
103.05475	48.0
105.07042	8.8
106.07339	1.1
107.04977	3.3
107.08589	2.0
109.02906	1.6
109.06489	1.5
109.10136	2.0
110.61974	1.0
110.97664	1.2
111.04452	2.7
111.08092	1.8
112.04803	1.3
112.99212	1.5
115.03960	1.7
115.05491	1.6
115.07578	1.0
117.07012	1.4
118.04156	1.7
119.04970	2.3
119.08591	2.5
120.08098	1.6
121.06508	3.2
122.03676	3.5
123.08073	1.5
129.05490	2.2
129.10268	1.3
131.00194	1.2
131.04938	81.7
132.06619	1.1
133.06509	8.6
133.10127	1.2
135.08044	3.1
137.05989	57.6
147.03264	1.2
147.04427	5.0
147.08054	2.3
149.01250	2.6
149.06000	3.5
150.06783	4.2
151.07588	2.7
157.05019	1.1
158.99681	2.5
161.06012	2.9
163.07553	100.0
165.05453	1.7
165.09128	8.0
167.07042	6.4
175.07489	1.3
177.00697	1.7
179.07034	3.0
181.08600	9.0
193.08617	56.1
195.10196	2.6
207.10175	3.1
211.09665	33.2
225.11221	7.4
227.05975	1.1
228.05717	1.4
237.02803	1.7
237.20410	1.6
243.08743	2.3
255.21576	1.7
263.22073	1.4
268.10690	1.6
275.22064	1.6
292.22583	1.2
293.23074	1.4
311.24310	1.8
324.11487	8.3
328.24805	6.8
329.25067	9.1
333.11673	1.2
340.12808	4.4
340.62961	1.5
341.12225	1.3
343.15509	1.3
346.25922	6.1
347.26184	9.3
349.13300	9.4
373.24243	1.8
389.27249	4.4
390.28577	1.9
400.20456	1.5
488.28378	2.2
489.28854	9.6
492.29156	1.5
493.29773	5.6
503.31088	1.3
520.31006	2.8
521.31598	14.8
535.29059	1.9
553.33307	8.9
554.29004	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97738	3.0
52.61605	2.9
52.97336	3.1
53.03941	4.8
55.01866	7.1
55.05514	42.9
57.03429	3.1
57.07071	3.8
67.05507	99.0
69.03413	11.2
69.07072	29.7
69.20940	25.1
69.21361	11.3
71.04974	8.4
79.05069	4.2
79.05495	54.5
81.03400	4.1
81.07061	87.0
83.04980	8.3
83.08627	23.6
85.06535	10.5
91.05482	37.2
93.07050	73.4
95.04958	15.1
95.08615	65.8
95.56601	3.6
97.06510	8.6
97.10179	33.6
98.21504	7.7
105.07022	42.6
107.08607	49.2
109.06543	4.7
109.10164	35.7
111.08062	5.4
117.07019	16.2
119.08584	35.8
121.10151	32.2
123.08045	5.2
123.11720	11.9
125.09619	29.7
129.07011	9.9
131.08560	23.2
133.10130	27.9
135.08070	7.8
135.11714	22.9
137.09630	7.9
139.11142	4.5
143.08568	9.7
145.10089	21.2
147.11702	19.9
149.09642	8.3
149.13257	17.5
155.08508	5.2
157.10088	11.9
159.11694	22.1
161.13242	6.1
163.14857	5.9
165.12743	5.3
171.11647	8.2
173.11804	4.5
173.13234	15.9
175.11145	4.4
175.14825	9.3
177.12732	8.8
183.11740	4.3
185.13284	7.4
187.14819	4.3
193.12239	6.1
195.13806	6.2
197.13348	5.9
203.12772	14.3
209.15492	5.2
213.14774	5.7
225.14734	5.6
227.16350	6.4
228.92834	4.5
277.21802	4.0
289.21674	4.5
291.23273	25.1
299.23563	6.1
303.23056	3.6
317.21213	5.1
317.24664	11.3
331.26224	8.8
349.27570	7.7
381.26102	5.7
395.27948	6.5
435.32343	6.6
453.33109	4.6
467.34918	5.9
471.20813	3.6
473.36066	7.3
482.57468	3.8
485.36227	11.1
499.37869	19.3
503.37408	11.6
517.38953	100.0
535.39954	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	552.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01857	3.6
55.05519	31.3
62.89546	1.9
65.03915	2.4
67.05511	45.6
69.03424	8.9
69.07072	18.7
71.04980	4.7
71.43465	4.4
79.05495	44.4
80.96427	2.1
81.03409	4.2
81.07063	66.0
83.04974	6.1
83.08626	17.8
85.06522	4.1
91.05492	33.7
93.07050	64.8
95.04950	9.0
95.08611	42.5
97.06544	11.6
97.10178	22.4
99.08080	3.1
105.07025	23.3
107.04970	3.1
107.08603	37.1
109.06515	12.2
109.09489	2.0
109.10165	16.8
111.08085	7.3
117.07069	9.9
119.08592	23.7
121.10143	27.7
123.08063	7.7
123.11694	5.5
125.09636	22.2
129.07024	4.5
131.08597	21.4
133.06439	2.7
133.10158	22.1
135.08044	8.9
135.11711	21.0
137.09650	6.3
143.08519	4.3
145.10150	13.0
147.11655	14.9
149.09592	4.4
149.13272	17.6
153.09059	3.0
155.10712	3.0
157.10176	8.7
159.11710	16.1
161.13263	8.6
163.11165	2.8
163.14821	5.0
165.12743	4.2
169.10130	3.9
171.11700	7.6
173.11775	4.9
173.13290	8.6
175.11197	3.8
175.14783	3.2
177.12764	3.9
177.39351	2.3
185.13216	5.3
187.13379	2.5
187.14890	4.1
193.12248	5.3
195.11691	2.4
195.13791	5.3
199.14816	3.6
203.12741	5.3
211.14804	2.5
221.15390	8.2
223.16801	2.4
225.14824	2.9
227.16360	4.0
235.16997	2.3
241.19678	2.5
247.16898	3.5
253.18091	17.5
259.20630	3.6
265.17798	3.6
267.19543	12.9
275.20148	2.3
277.21561	2.8
279.19510	9.9
283.19540	2.0
284.34125	2.4
289.21683	3.0
291.23196	25.6
297.20648	4.8
299.23343	3.0
307.22678	4.5
331.26324	3.9
333.27966	2.9
381.26389	3.5
435.32233	6.4
453.33932	4.7
459.34894	2.6
467.35233	4.2
473.36237	5.2
485.36072	7.5
491.37350	6.1
499.37668	15.7
503.37332	12.8
517.38916	100.0
535.40039	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	552.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03945	3.2
53.70428	1.1
55.01873	2.5
55.05516	17.4
57.07075	3.3
65.03938	1.9
67.05170	2.4
67.05508	33.7
69.07072	19.1
71.04986	1.4
71.21953	1.8
72.89478	1.4
73.06550	1.5
77.03876	1.4
79.05496	63.9
81.07060	41.6
83.04980	3.4
83.08626	6.5
85.06538	3.8
86.56458	1.3
91.05485	27.8
93.07047	81.0
95.04972	4.8
95.08615	31.0
97.06525	4.1
97.10180	4.4
99.08101	1.3
103.05499	1.6
105.04527	2.1
105.07038	21.1
107.05005	1.8
107.08599	40.0
109.06510	4.0
109.10151	15.4
111.04414	1.9
111.08097	2.0
117.07008	5.2
119.08584	17.3
121.06522	1.1
121.10149	46.0
123.08060	2.8
123.11685	4.3
126.11843	1.5
129.07002	2.8
131.08607	7.2
133.10141	14.2
135.08076	2.8
135.11713	41.6
137.09607	3.9
139.11212	3.7
143.08560	4.1
145.10091	7.1
147.11688	15.7
149.09625	5.1
149.13258	22.0
151.11148	1.9
157.10155	3.7
159.11696	5.2
161.13245	6.5
163.11189	5.1
163.14859	5.8
165.12744	5.3
167.10614	1.7
171.11720	3.1
173.13261	2.6
175.11171	1.8
175.14851	4.3
177.12680	2.0
178.08719	1.4
181.12250	2.6
184.42740	1.3
185.13242	2.9
191.00945	1.4
199.14832	3.0
203.12782	4.9
209.11809	1.7
217.15800	1.2
222.91183	1.2
227.12767	8.4
241.19559	6.5
249.18483	1.7
259.20575	11.3
266.76523	1.3
275.20044	11.4
291.23203	100.0
293.21161	8.5
450.34415	1.4
470.23318	1.6
513.90479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
54.20991	0.8
55.05516	11.5
56.79593	0.9
57.07073	2.4
57.56644	0.7
57.64947	0.8
58.25101	0.7
60.76268	0.9
65.03922	0.9
67.05173	1.4
67.05511	21.8
69.07068	10.7
70.96636	1.7
71.04984	1.7
71.83709	0.7
79.05499	43.0
81.07063	23.2
83.04989	2.0
83.08627	4.9
85.06547	1.9
91.05486	19.3
93.07051	64.2
95.04958	3.7
95.08044	1.5
95.08613	16.6
97.06540	1.4
97.10175	2.9
105.04490	1.4
105.07029	9.3
107.08602	29.8
109.06545	1.1
109.10162	8.5
111.04460	2.1
111.08109	1.2
117.07018	3.0
119.08600	9.2
121.10151	27.4
121.11035	1.5
123.08047	0.8
123.11726	2.5
125.09589	1.1
129.07027	1.7
131.08583	3.5
133.10136	9.6
135.08040	0.9
135.11708	31.9
143.08617	1.6
145.10130	3.2
147.11682	5.7
149.09576	0.9
149.13266	16.0
153.12740	0.9
157.10146	1.6
159.11717	3.5
161.13274	2.8
163.11171	2.6
163.14824	3.5
171.11739	1.5
173.13240	2.6
175.14784	2.0
181.12234	3.2
185.13274	1.9
189.12761	0.8
191.10651	1.3
193.12303	0.9
195.13858	1.4
199.14789	1.7
207.13756	1.1
213.16373	2.1
221.15385	2.3
227.12735	6.2
231.17542	1.3
235.16878	2.5
241.14346	10.3
241.19579	1.8
259.20575	3.6
277.21640	100.0
313.67169	0.8
491.52414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99166	3.3
53.03933	4.4
55.01852	4.1
55.05517	19.5
66.80867	2.6
67.05502	22.1
69.07076	17.7
69.52498	22.7
69.60863	2.7
70.86765	3.3
73.50711	2.7
79.05495	30.0
79.60052	2.7
81.03423	4.3
81.07061	27.6
83.04952	4.6
83.08617	13.9
91.05479	20.1
93.07043	28.3
93.30407	3.0
95.04971	28.3
95.08615	16.6
97.06517	7.7
97.10168	5.9
105.07032	31.5
107.04946	12.9
107.08610	20.2
109.06474	4.8
109.10173	3.1
111.08051	4.7
117.06976	9.6
119.08601	22.3
121.06470	5.8
121.10178	14.1
123.08022	4.3
123.11703	5.1
124.21333	3.1
125.09646	5.8
129.07013	4.7
131.08562	9.7
133.10153	15.4
135.08043	12.4
135.11673	11.0
137.09546	3.3
139.11157	4.9
145.10120	14.5
145.28131	3.0
147.08102	3.2
147.11703	19.2
148.48158	3.0
149.09622	17.0
155.08597	4.4
157.10196	3.5
159.11632	5.2
163.11154	13.8
165.12759	8.5
167.80208	3.3
173.09608	5.7
197.13336	3.7
203.12776	4.6
205.23207	2.8
217.14417	7.8
223.13295	12.1
229.19490	3.3
237.14810	10.4
239.17929	11.2
243.15923	5.1
256.18317	2.8
257.18979	13.7
275.20084	100.0
293.21140	38.4
307.22659	44.9
470.23419	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	552.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05515	13.0
57.07058	1.8
65.03928	1.4
65.69536	1.0
66.67789	1.1
67.05173	2.2
67.05508	25.9
69.06783	1.1
69.07079	13.2
69.20518	11.8
71.04987	2.2
79.05497	43.4
81.07056	25.3
83.05013	1.4
83.08619	7.2
84.08182	2.5
91.05484	18.8
93.07050	69.6
95.04954	4.5
95.08613	19.4
97.06507	2.1
97.10162	3.7
101.06094	1.4
105.07021	11.8
107.08604	34.8
109.06530	2.0
109.10165	12.7
111.04469	1.5
111.08068	1.9
117.07006	4.9
119.08572	11.4
121.06482	1.5
121.10153	33.1
123.08102	1.2
123.11718	2.0
125.09644	1.9
129.06992	1.2
130.08635	6.5
131.08562	4.7
133.10124	12.8
135.08080	2.1
135.11693	35.9
143.08542	1.9
145.10110	4.4
147.11674	5.7
149.09615	3.4
149.13264	13.2
151.11177	1.4
159.11697	3.0
161.13223	2.9
163.11122	2.3
163.14824	3.4
171.11710	2.4
173.13277	1.7
175.11110	1.8
175.14798	2.5
181.12221	3.9
185.13289	2.5
193.15973	1.1
195.13832	2.3
199.14827	1.8
207.13846	1.7
213.16373	2.1
213.32507	1.0
217.15871	1.0
221.15338	2.6
227.12750	6.4
231.17485	2.0
235.16882	2.7
241.14375	10.4
241.19566	3.8
257.69150	1.1
259.20599	4.7
277.21637	100.0
293.21158	1.4
447.53882	1.1
526.16235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31219	0.2
55.05502	0.6
56.05025	0.5
56.96560	0.2
58.06639	0.5
60.08169	5.9
67.05500	0.7
70.06601	0.4
71.07382	2.8
71.42838	0.2
79.05496	0.5
81.03421	0.3
81.07054	0.7
83.08604	0.2
85.02911	0.3
86.09712	29.1
90.59075	0.1
91.05486	0.4
93.07050	0.4
95.04948	0.2
95.08594	0.3
97.06531	0.2
98.98479	2.6
104.10757	4.8
105.07025	0.2
107.08607	0.2
109.10164	0.2
119.08584	0.2
125.00013	19.2
125.09602	0.2
143.01062	0.2
147.03120	0.2
150.10312	0.2
151.11153	0.2
156.61407	0.2
172.46849	0.2
184.07353	100.0
185.07774	0.2
224.07999	0.3
258.11115	0.3
293.21109	0.4
452.24017	1.0
508.34103	0.2
516.30658	0.3
534.32001	2.2
552.33344	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	552.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05022	0.4
56.96560	0.3
57.03437	0.3
58.06353	0.3
58.06628	0.6
58.32246	0.2
60.08167	6.5
61.02914	0.2
63.29498	0.2
67.05504	0.6
69.07069	0.3
69.15635	0.2
70.06598	0.4
71.07376	2.9
71.57552	0.2
79.05503	0.4
81.03430	0.3
81.07068	0.5
82.66769	0.2
86.09708	29.7
91.05494	0.4
93.07034	0.5
95.04956	0.3
95.08620	0.2
97.02857	0.2
98.98466	2.7
104.10741	5.0
105.07047	0.3
107.08630	0.3
109.10125	0.2
119.08556	0.3
125.00008	21.2
125.06461	0.2
133.10152	0.3
135.11784	0.2
143.01042	0.2
147.03204	0.2
147.04387	0.3
151.11154	0.3
163.11119	0.2
177.28711	0.2
184.07343	100.0
185.07817	0.2
187.99994	0.2
239.30989	0.2
258.10956	0.3
278.09610	0.2
289.34940	0.2
293.21307	0.3
317.00226	0.2
358.00833	0.2
371.35724	0.2
384.53165	0.2
389.25262	0.2
452.24078	0.9
516.31091	0.3
534.32019	2.9
552.33289	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33310	0.2
56.96576	0.4
65.23346	0.2
65.64209	0.2
65.84113	0.2
66.11921	0.2
67.05508	0.5
69.07060	0.3
71.00978	0.3
71.01313	0.3
72.84502	0.2
79.05509	0.6
81.07034	0.4
87.69088	0.2
90.07703	0.2
91.05494	0.4
95.08606	0.3
98.97593	0.7
107.45239	0.2
115.15573	0.2
131.00195	0.4
149.01216	0.3
154.50180	0.2
158.99657	0.4
193.61946	0.3
203.05310	0.8
250.93419	0.3
259.07861	1.2
284.12582	0.3
285.63205	0.3
286.12555	0.4
293.05493	0.5
315.19409	0.5
333.19080	0.8
389.23102	3.1
529.89368	0.3
551.28302	100.0
552.28711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2833
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
61.02919	0.7
63.70445	0.4
67.05512	0.9
68.10297	0.4
69.29306	4.3
77.10576	0.5
79.05483	0.5
81.07056	1.0
86.09667	0.4
91.05505	0.7
98.20726	0.9
107.08625	0.6
119.08557	0.7
131.08414	0.7
175.42958	0.6
181.87955	0.5
184.07310	0.6
199.04152	0.5
229.14333	0.5
247.54155	0.6
310.94360	0.5
333.19363	0.7
389.22968	1.3
455.20322	0.5
510.26981	0.5
551.28290	100.0
552.28510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.6
67.05502	0.7
79.05515	0.6
80.06925	0.3
81.07076	0.8
83.08611	0.5
85.02898	0.4
91.58694	0.4
93.07050	0.8
95.04977	0.4
95.08610	0.6
105.07043	0.6
107.08606	0.4
109.74579	0.3
147.04456	0.5
188.63997	0.3
209.50905	0.4
228.62141	0.4
259.07962	0.7
301.30661	0.4
333.19318	0.4
364.93286	0.4
389.23041	2.3
551.28290	100.0
552.28772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.283
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05508	0.2
67.05501	0.3
68.12279	0.1
69.79372	0.5
69.79783	0.3
79.05496	0.3
81.07047	0.2
91.05482	0.2
93.07034	0.2
95.08653	0.2
105.07047	0.2
119.08588	0.2
131.50890	0.1
149.02347	0.3
182.90955	0.1
185.04362	0.2
193.04938	0.2
200.44397	0.1
203.05255	0.5
232.23351	0.1
253.90363	0.1
259.08032	0.7
315.19196	0.5
330.43008	0.1
331.10107	0.3
333.19159	0.4
361.22443	0.1
389.22922	2.3
459.23218	0.2
474.96414	0.1
479.25494	0.2
551.28278	100.0
552.28436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29645	0.3
53.03935	0.7
54.46659	0.2
55.01872	0.6
56.96534	0.3
57.03428	0.3
61.02935	0.4
67.01869	4.7
68.99784	2.5
69.03433	2.2
69.24645	1.2
69.25069	1.0
71.04993	0.3
73.02911	0.5
81.03426	2.9
81.07061	0.3
83.01365	0.3
83.46008	0.3
85.02901	3.7
86.09721	0.2
87.00837	1.6
88.45708	0.3
89.03917	1.1
91.05466	0.5
93.03409	0.2
93.07025	0.5
95.05006	0.3
95.08623	0.4
97.02898	1.5
98.21539	0.5
99.04469	0.6
101.88195	0.3
105.01862	1.0
105.06998	0.2
107.08554	0.3
109.02893	1.6
111.00833	0.5
111.04444	0.4
117.03386	3.7
119.04938	0.7
123.04443	0.5
125.02381	0.6
125.06007	0.4
127.03933	3.3
129.01836	0.9
134.03667	0.4
135.04353	0.5
137.05984	2.3
145.02855	11.8
145.04950	1.0
149.05966	1.5
151.03923	0.9
151.07561	3.7
153.01833	100.0
159.02907	1.2
163.03952	0.6
171.02898	18.9
177.05479	17.6
179.03401	7.0
195.02908	1.4
201.05386	0.3
217.04929	0.4
231.05122	0.5
237.07549	0.3
261.04022	0.4
261.07578	0.4
267.19562	0.3
285.07507	0.5
303.08643	80.2
304.08847	0.5
327.08530	0.4
345.09637	0.3
352.20987	0.2
369.09689	0.4
401.07224	1.1
403.79526	0.3
425.50589	0.2
551.30182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52803	7.0
55.01863	8.0
55.05518	51.2
56.69995	6.8
67.05508	90.9
69.07059	53.9
70.62950	22.3
79.05508	49.8
80.00281	7.0
81.03400	18.4
81.07062	100.0
83.04955	12.6
83.08620	24.4
86.20094	8.6
91.05493	39.9
93.07039	78.9
95.04991	15.8
95.08617	63.3
97.06542	19.2
97.10149	17.5
99.08102	10.9
105.07034	68.4
107.08600	43.5
109.06498	8.4
109.10143	23.7
111.08129	7.7
113.39314	8.9
117.07005	23.4
119.08584	51.6
121.10122	29.4
123.11702	12.8
125.09647	13.6
128.06224	8.6
129.07031	21.4
131.08623	54.8
133.10112	41.2
135.11678	15.5
137.09602	8.5
143.08571	28.4
145.10152	45.3
147.11702	23.5
149.09575	11.2
151.11162	14.1
155.08606	16.7
157.10179	19.6
159.11652	25.0
169.10104	11.7
171.11652	15.0
173.13271	16.5
183.11604	20.1
275.12445	7.7
347.65344	8.2
371.25821	13.6
389.26947	9.9
394.94501	8.3
403.28571	10.6
415.30106	8.3
433.30698	18.6
445.30240	8.9
451.31961	17.9
483.34705	20.3
487.37537	10.8
497.36035	19.1
501.35837	10.0
515.37506	56.2
550.41321	12.6
550.62439	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	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44723	0.3
53.03935	0.6
55.01860	1.0
55.05502	1.1
56.04823	0.3
56.05038	3.1
56.96551	0.4
57.03430	1.2
58.06607	0.6
60.04530	7.9
61.02924	0.8
61.64085	0.3
67.05508	3.1
68.05039	0.8
69.03421	1.8
69.07088	1.5
70.06598	2.0
71.04981	1.2
71.57334	0.3
72.04518	1.6
72.08135	0.5
73.02909	1.0
74.06080	0.5
76.02226	0.4
79.05505	2.6
80.05009	2.4
81.03437	1.7
81.07059	3.2
82.06573	1.2
83.04976	0.9
83.08617	0.5
84.04037	0.6
84.04506	6.7
84.08123	1.3
85.02907	4.2
85.06535	0.8
86.06056	0.5
86.09697	1.2
87.00774	0.3
87.04476	0.4
90.05569	0.8
91.04019	0.3
91.05488	2.1
93.07047	2.8
94.06564	3.0
95.04971	0.7
95.08612	2.6
96.04462	0.7
96.08144	0.3
97.02898	1.7
97.06538	2.1
98.06042	0.6
98.09685	0.4
98.21418	0.3
98.97571	0.3
102.05530	0.9
105.07035	1.4
106.06526	0.3
107.04977	0.5
107.08604	1.1
108.08099	0.7
109.02866	0.4
109.10120	0.9
110.06036	0.8
110.09702	0.4
111.08065	1.3
114.05523	2.4
116.07071	0.8
117.07026	0.5
119.04915	0.4
119.08588	1.1
120.08121	1.9
121.06488	0.4
121.10107	0.5
123.08106	0.5
127.03906	0.8
131.08572	0.7
132.06538	1.7
133.10138	0.9
134.09604	0.6
135.11687	0.5
136.07617	0.3
137.05978	0.4
138.09171	0.3
142.17659	0.3
145.10115	0.5
146.09520	0.4
147.04399	1.3
157.10193	0.4
159.11758	0.4
179.14336	0.5
190.15840	0.4
193.12233	0.5
206.15425	0.4
211.16924	0.4
220.17105	0.6
224.20091	1.0
234.18594	0.5
236.20047	1.5
237.18483	0.5
238.21581	0.5
244.20581	0.4
246.18585	0.7
248.20172	0.4
250.21617	0.6
251.20538	0.3
254.21187	0.9
260.20102	0.8
262.21579	1.5
264.19608	0.5
264.23248	1.3
266.11072	0.3
266.21021	0.4
267.15994	0.4
274.21576	3.3
278.21350	0.4
286.14066	0.4
290.21109	0.7
292.22717	3.3
300.21680	0.6
308.09143	0.4
308.22147	0.4
310.23752	3.3
319.17725	0.7
324.21762	2.0
326.23154	0.8
327.26328	0.3
328.20834	0.7
328.24805	13.5
346.25867	1.0
352.24820	26.7
368.02466	0.3
370.25888	100.0
371.26300	0.7
388.27026	2.2
405.78381	0.3
412.23328	4.4
430.24274	0.6
532.31641	5.7
550.27936	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	550.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05510	2.4
55.34188	0.6
56.05039	2.7
57.03434	2.1
58.06596	0.7
59.04982	0.8
60.04532	27.1
61.02941	1.3
67.05508	7.1
68.05042	2.8
69.03429	5.0
69.07066	3.2
69.48660	3.8
70.02966	0.8
70.06609	3.2
71.01366	0.7
71.05006	3.9
72.04520	3.8
72.08158	0.8
73.02924	13.3
74.06088	1.2
75.04481	1.7
79.05499	5.3
80.05023	7.9
81.03429	4.3
81.07062	6.5
82.06573	3.2
83.05011	0.7
83.08607	1.4
84.04510	1.7
84.08150	2.3
85.02908	5.4
85.06563	1.2
86.06057	1.9
86.09745	0.6
87.00874	0.9
87.04474	1.6
90.05553	2.8
91.05469	4.2
92.04992	0.7
93.07052	5.0
94.06580	5.9
95.04974	1.9
95.08619	4.1
96.04511	2.4
96.08147	1.8
97.02902	6.8
97.06541	8.9
98.06061	2.5
98.97584	0.8
100.03983	1.0
101.02394	2.0
102.05546	0.9
105.07067	2.9
106.06566	2.0
107.08604	3.0
108.08125	1.8
109.02923	1.6
109.06544	0.6
109.10152	1.7
110.06063	3.1
110.09663	0.6
111.08093	1.7
114.05543	2.6
115.03943	1.7
116.07119	0.9
116.36938	0.6
117.07018	0.9
119.08571	2.2
120.08124	2.6
121.10144	2.0
122.06049	1.6
123.08052	0.8
124.07605	1.2
125.09660	0.7
127.03920	1.6
129.01843	2.0
129.93900	0.6
131.08559	1.5
132.06572	20.0
132.08104	0.8
133.10152	1.7
134.09641	0.8
135.11726	0.8
136.07594	0.9
138.09097	0.7
139.08806	0.5
143.03378	0.8
145.05087	0.6
145.10123	1.2
147.04443	1.2
148.44513	0.6
159.11650	0.7
161.04446	1.0
171.02914	1.2
175.62411	0.7
186.07491	0.6
189.03943	1.1
190.15970	0.9
193.15903	0.7
211.16924	1.5
218.15474	1.3
220.17027	0.9
224.20122	2.0
232.16927	0.7
234.18529	1.0
236.20152	0.9
237.18497	5.6
238.21532	0.7
244.20583	1.0
248.16417	1.4
248.20120	2.6
250.21672	0.7
252.19472	0.9
260.20157	9.2
262.21793	3.4
266.21109	3.0
272.20071	6.3
274.21805	0.7
278.21158	2.9
280.22748	1.0
288.23276	1.9
290.21188	12.0
294.24200	1.1
300.23190	1.1
306.24338	1.8
308.22189	4.4
318.24261	3.3
324.11441	0.7
326.23251	8.6
328.24811	1.2
332.11346	0.8
336.21536	1.3
336.25357	1.2
344.24307	2.6
354.22717	4.0
354.26477	0.8
356.24127	0.9
370.25714	0.8
372.23718	12.5
372.27728	1.3
388.26910	1.6
390.28458	4.1
400.27103	1.1
418.27905	0.6
496.25601	0.8
514.26593	2.6
532.26990	11.6
550.28125	100.0
551.28754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96798	0.6
53.03944	1.2
55.01864	2.3
55.05511	3.4
56.05022	2.0
57.03422	1.0
58.06591	0.8
60.04532	25.3
61.02902	0.9
64.41532	0.5
65.03933	0.6
67.05514	7.0
68.05035	4.0
69.03420	2.3
69.07074	2.7
70.02952	0.7
70.06591	3.6
71.01353	0.9
71.04980	2.5
71.57011	0.8
71.57377	0.7
72.04524	4.1
72.08153	1.5
73.02927	9.2
74.06060	1.1
75.04484	3.7
79.05506	4.4
80.05032	7.5
81.03400	2.3
81.07066	6.0
82.06568	2.0
83.04961	2.0
83.08634	1.1
84.04495	2.6
84.08124	1.8
85.02895	2.5
85.06538	2.1
86.06078	1.5
86.09701	0.8
87.04469	1.0
90.05560	3.6
91.05505	3.4
93.07047	5.5
94.06588	5.4
95.04976	1.6
95.08615	5.5
95.51308	0.6
96.04507	3.4
96.08104	1.8
97.02887	1.9
97.06527	2.7
97.10139	0.7
98.06052	2.4
105.07049	3.2
106.06542	2.0
107.08582	3.1
108.08109	1.6
109.06503	1.1
109.10148	2.2
110.06049	3.4
110.09672	0.7
111.08088	3.6
112.07571	0.7
114.05506	1.9
115.03916	0.7
116.07068	0.8
117.07072	0.7
119.07312	0.7
119.08626	2.8
120.08104	2.4
121.10120	2.0
122.06017	1.9
123.08038	0.9
124.07584	1.3
128.91856	0.6
129.01852	1.0
129.06937	0.8
131.08522	1.8
132.05618	1.0
132.06580	18.3
132.08064	0.9
133.10118	1.2
134.09599	1.0
135.11684	1.2
136.07587	1.0
142.08655	0.6
145.10114	1.6
147.04451	1.3
147.11674	1.0
148.11163	0.7
161.04369	1.4
165.12770	0.9
171.11740	0.7
174.12744	0.9
176.14282	0.9
178.15993	0.7
179.14320	1.2
192.13858	1.0
193.16039	0.6
204.13791	1.0
206.15469	1.3
211.16826	1.6
222.14914	0.7
222.18541	0.8
224.20099	1.9
232.16975	1.5
234.14830	1.5
234.18507	0.7
237.18419	3.8
238.21620	1.0
246.18585	0.9
248.20068	1.2
250.21696	1.1
252.19577	1.0
254.21170	0.8
260.20129	5.6
262.17993	1.7
262.21698	2.9
266.21179	3.2
272.19998	4.5
274.21671	0.7
276.23828	0.5
278.21133	2.4
290.21149	8.8
296.22083	0.9
298.20029	0.9
308.22241	3.1
310.23679	0.7
318.24002	1.0
320.22180	0.8
326.23242	5.8
328.24756	1.9
336.25464	1.0
340.16739	0.6
344.24246	3.4
346.25778	0.7
352.24722	1.1
354.26270	0.9
368.24445	0.7
370.25836	1.4
372.23737	1.8
372.27747	0.9
386.25473	1.7
388.26837	1.6
394.21933	1.1
404.26471	2.3
412.23401	9.9
430.24243	1.3
472.25555	0.6
478.23697	0.6
496.25183	1.1
514.26422	3.4
532.27338	16.3
550.28455	100.0
551.28687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01855	3.0
55.05495	1.9
56.05018	2.1
56.96553	0.7
57.03421	0.8
58.06599	0.9
59.44618	0.6
60.04530	27.9
61.02917	1.3
62.93946	0.6
64.92229	0.6
65.03922	0.7
67.05515	7.0
68.05034	4.0
69.03439	5.2
69.07046	2.5
69.53157	4.9
70.06588	3.9
71.01356	1.0
71.05001	3.8
72.04498	2.7
72.08133	1.3
73.02919	8.2
74.06068	0.8
75.04471	3.0
77.59284	0.7
79.05497	4.8
80.04637	0.8
80.05023	6.9
81.03407	3.3
81.06663	0.6
81.07066	8.3
82.06570	2.9
83.04963	1.1
83.08592	1.3
84.04485	2.3
84.08122	1.7
85.02880	3.0
86.06051	1.8
87.04462	1.3
87.21803	0.6
90.05549	3.2
91.05469	3.2
93.05796	0.7
93.07045	3.4
94.06579	4.5
95.04932	1.3
95.08611	5.2
96.04472	2.5
96.08128	2.1
97.02857	2.0
97.06528	8.4
98.06028	2.5
99.08044	0.6
101.02376	1.6
102.05528	0.8
105.07008	2.6
106.06535	1.5
107.08570	3.0
108.08105	2.5
109.10130	1.9
110.06037	3.1
110.09686	1.3
111.08040	2.6
114.05534	3.3
118.06549	0.7
119.08540	2.1
120.08115	3.4
121.06479	1.0
121.10109	1.7
122.05995	2.0
123.08064	0.6
123.11724	0.6
124.07585	0.6
127.03895	1.1
129.06944	0.6
131.08572	1.4
132.05650	1.0
132.06573	19.5
132.08076	1.3
133.10136	1.7
134.09631	0.8
135.11685	1.2
136.07559	2.8
137.07874	0.7
138.09042	0.7
142.08630	0.7
144.08067	0.9
147.04370	2.1
147.11623	0.9
148.11194	1.1
150.09081	1.4
159.11684	0.7
161.04480	1.4
164.07050	0.7
171.11630	0.9
206.15439	0.7
208.17033	0.7
210.18501	1.1
211.16904	1.9
220.16959	1.1
224.20073	2.3
237.18465	2.9
244.20389	0.7
248.20131	3.2
252.19482	0.9
260.20154	7.9
262.21646	4.2
266.21249	4.2
272.20120	5.4
278.21060	1.4
278.48425	0.7
280.22543	1.0
288.23248	1.7
290.21213	8.5
300.23120	1.1
302.15671	1.0
308.22205	5.1
318.24213	2.4
326.23288	7.6
327.26291	0.7
328.24585	1.8
344.24081	4.8
352.24728	2.3
354.26212	1.9
370.25854	4.0
372.27313	1.8
388.26761	1.5
404.26151	2.5
404.87808	0.7
412.23019	2.7
430.24225	1.1
472.25513	0.8
514.26459	2.8
532.27252	15.2
550.28326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1245
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
50.46513	0.1
56.96557	0.2
57.91139	0.1
67.05493	0.2
69.03407	0.2
69.07057	0.1
70.06566	0.2
70.48183	0.1
71.04990	0.1
71.57336	0.2
72.08099	0.1
77.25752	0.1
79.05487	0.2
81.03423	0.2
81.07057	0.1
84.08146	0.2
85.02874	0.4
95.08585	0.2
97.02900	0.3
97.06492	0.5
105.01802	0.1
107.08489	0.2
108.73339	0.1
127.03897	0.3
133.10088	0.2
137.06004	0.2
149.05960	0.3
153.01834	0.8
161.02222	0.1
163.03859	0.1
167.07024	0.4
175.03798	0.1
210.68541	0.1
213.95482	0.1
215.07050	0.2
229.05037	0.3
229.07466	0.1
244.27303	0.1
253.63577	0.1
258.05252	11.9
259.05609	0.1
259.09726	0.2
264.06931	0.1
286.04721	33.2
287.05222	0.3
301.07068	100.0
302.07309	0.6
327.26309	0.3
409.36292	0.1
463.12372	2.3
489.10803	0.3
505.13721	0.2
531.11383	0.3
548.35413	0.2
549.12390	5.0
549.20764	0.3
549.29486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.9
58.14820	3.1
62.82693	3.2
67.05510	25.3
69.07076	20.3
69.47705	21.5
71.05019	3.6
79.05491	38.0
81.07063	31.7
83.04953	5.3
83.08627	15.4
88.04333	3.0
91.05478	26.3
93.06485	3.8
93.07051	37.8
95.04975	14.4
95.08612	20.6
97.06532	7.7
97.10141	5.8
98.20738	6.1
99.69743	3.2
105.07037	26.6
107.04948	18.2
107.08601	19.8
109.06530	3.9
109.10134	10.0
110.45482	3.1
111.08104	4.5
117.07018	11.4
119.08566	17.1
121.10169	19.4
123.08047	3.1
129.06984	4.6
131.08557	12.5
133.06583	3.0
133.10132	18.2
135.08084	9.8
135.11668	7.1
139.11168	12.6
143.08595	3.2
145.10138	17.3
147.11659	14.2
149.09648	14.5
155.08597	3.8
159.11673	10.8
163.11169	10.4
171.11649	6.6
173.13219	4.1
177.12827	5.0
183.11708	4.5
183.31372	3.0
189.11055	2.9
203.12793	4.3
207.13867	8.0
214.35849	2.9
217.14362	20.9
219.13794	3.3
229.19630	3.4
237.14931	6.5
239.17961	8.8
257.19003	14.0
275.20068	100.0
289.21573	5.1
307.22675	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.63430	1.4
55.01868	2.6
55.05510	22.0
56.23402	1.2
57.03185	2.0
57.03438	18.5
57.07057	3.2
61.02927	4.0
62.48376	1.3
63.83860	1.4
65.03931	1.9
67.05505	39.5
69.03416	2.9
69.07072	12.1
71.04975	3.5
71.29234	1.2
71.56901	1.9
73.02882	2.5
75.04478	1.5
79.05063	2.4
79.05496	35.5
79.05958	2.1
81.03408	3.6
81.07060	42.2
81.85178	1.5
83.04974	3.5
83.08617	10.9
85.02914	8.7
91.03936	2.5
91.05476	33.0
93.07040	47.2
95.04967	3.8
95.08609	31.1
97.02879	3.9
97.06519	4.6
97.10165	8.3
99.08097	2.7
105.07024	28.1
107.08600	32.8
109.06538	4.0
109.10162	18.7
111.08064	3.0
117.07029	10.2
119.08579	27.7
119.09370	2.7
121.10147	26.1
123.08078	2.3
123.11692	3.3
125.09677	7.2
127.03935	2.2
129.07007	3.5
131.08568	18.8
133.10141	21.2
135.08002	2.3
135.11696	21.4
137.05998	2.0
137.09610	2.3
139.11142	1.6
143.08556	5.9
143.10660	1.9
145.10123	16.1
147.11693	18.7
149.13286	12.4
155.10698	3.2
157.10144	5.1
157.12268	1.9
159.11688	13.0
161.13214	8.5
163.11147	4.0
163.14816	3.3
166.42113	1.6
167.07054	1.5
171.11696	5.3
173.11719	6.9
173.13234	6.8
175.11142	1.7
175.14856	6.9
177.12767	3.9
185.11714	1.6
185.13234	7.2
187.13347	2.0
187.14841	8.2
193.12125	1.7
199.14862	3.5
201.16380	4.1
205.15923	3.6
213.16583	1.5
219.17514	4.1
221.01292	2.0
221.19067	2.1
225.60262	1.4
227.09131	2.9
227.12737	1.4
227.57298	1.5
229.14375	2.3
231.21152	2.9
241.19540	12.1
255.08623	6.6
256.13568	1.3
259.20584	32.1
264.80466	1.5
269.17480	5.9
277.21640	23.8
287.19162	1.6
293.21045	1.9
305.51077	1.7
311.96655	1.5
316.26834	1.5
333.24185	3.9
351.25296	100.0
355.16263	1.5
369.26517	2.4
470.19760	1.6
495.29370	2.7
513.30743	3.7
548.32904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23205	4.1
53.03935	13.0
55.05514	35.6
57.03427	8.0
57.07104	5.5
63.01590	4.7
67.05511	65.6
69.03418	21.0
69.03761	5.0
69.07062	18.4
71.05000	5.7
71.57399	6.3
73.02927	5.2
78.40396	4.5
79.05496	79.2
79.20015	4.2
79.78136	4.6
81.03416	17.9
81.07066	59.2
83.05009	7.1
83.08622	11.8
85.02908	18.6
85.06514	7.7
88.07607	5.4
91.05487	82.3
93.07047	100.0
93.66345	5.4
95.04970	15.3
95.08609	38.3
96.19721	5.0
97.02914	12.6
97.06554	8.0
97.10173	9.6
97.79629	4.6
99.04428	5.7
105.07032	77.1
107.04996	5.5
107.08604	51.5
109.02900	6.0
109.06499	8.2
109.10152	21.9
111.04439	6.1
111.15884	5.0
113.13771	4.5
115.05437	7.4
117.07024	27.8
119.08586	73.4
121.06549	6.5
121.10157	42.7
123.08048	7.6
125.09655	6.6
129.06993	25.5
131.08537	41.8
133.10150	56.5
135.11722	31.8
137.05969	5.6
137.09576	4.9
140.20100	4.6
143.08559	25.2
145.10120	48.4
147.11694	50.5
149.09692	5.9
149.13264	19.3
155.08574	12.7
157.10139	20.6
159.11731	29.2
161.13239	25.5
163.11191	4.9
169.10109	8.6
171.11688	26.6
173.13263	16.0
175.14801	10.1
183.11710	9.1
185.13257	15.7
195.11760	8.3
197.13197	8.0
199.14861	7.5
209.13272	5.9
211.11127	6.1
211.14677	5.1
231.21140	5.8
241.19539	21.8
257.19113	6.9
259.20551	74.9
271.20547	10.4
275.20093	11.0
283.20459	11.2
284.12784	7.0
287.20193	5.9
301.21497	16.4
313.21954	7.5
318.53653	5.2
321.22287	6.0
325.21844	6.3
339.23193	10.0
349.21741	14.5
351.25345	71.1
355.15833	6.5
357.24133	9.7
367.22733	49.9
375.25851	5.0
385.23752	61.1
403.24765	98.4
421.25998	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	46.9
56.96563	18.8
57.03434	14.9
61.02922	11.1
67.05508	89.5
69.03426	14.1
69.07047	27.0
70.23713	11.4
71.57172	12.4
79.05489	79.3
81.03397	18.7
81.07061	78.8
83.06572	10.5
83.08617	24.8
85.02897	17.5
91.05477	76.3
92.63705	9.1
93.07050	100.0
95.04971	14.9
95.08611	51.2
97.06506	10.8
97.10230	15.4
98.97565	11.8
105.07048	74.7
107.08591	66.6
109.06545	15.2
109.10152	24.1
116.10717	43.7
117.07011	27.2
119.08602	63.1
121.10151	40.3
123.04443	10.1
125.09657	18.2
129.06999	27.3
131.08569	39.1
133.10141	38.9
135.11670	34.0
143.08598	12.8
145.10149	33.4
147.11693	31.3
149.01306	11.3
149.13245	15.2
153.38287	9.3
157.10060	16.1
159.11673	24.2
161.13203	30.0
163.14793	10.3
173.11757	13.0
177.00710	11.1
219.17513	16.7
241.19579	36.2
255.08656	13.9
259.20627	78.5
265.79321	10.9
277.21744	16.2
284.12744	98.3
333.24582	12.6
349.17032	13.5
351.25238	94.3
359.22482	12.9
367.22861	13.4
385.23764	24.7
396.67886	11.7
403.24881	23.1
421.26044	17.5
425.11041	11.2
548.26526	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	548.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24189	0.5
53.03963	0.6
55.01880	1.6
55.05516	3.2
56.05039	2.7
57.03446	3.1
58.06586	0.8
60.04532	4.7
61.02922	0.6
67.05503	4.5
68.05026	1.6
69.03432	4.2
69.07072	1.9
70.06599	8.1
70.87164	1.1
71.01345	0.6
71.04993	2.2
72.04539	1.0
72.08154	0.7
73.02919	1.5
74.06084	0.6
77.49824	0.5
79.05485	4.5
80.05023	6.5
81.03424	1.8
81.07059	6.1
82.06581	3.1
83.04990	2.5
83.08608	0.6
84.04507	1.5
84.08147	2.3
85.02913	5.8
85.06549	1.6
86.06078	0.7
86.09724	1.7
87.04480	1.4
91.05500	2.8
93.07064	5.6
94.06574	6.7
95.04998	0.6
95.08611	5.5
96.04489	0.7
96.08154	1.6
97.02895	7.9
97.06539	2.0
98.06052	2.7
98.97598	0.9
101.02382	2.1
105.07053	1.8
106.06561	1.0
107.08611	2.1
107.41854	0.5
108.08133	0.7
109.10184	1.6
110.06067	0.9
111.04430	0.5
111.08118	2.8
113.02386	1.7
115.03932	2.7
116.07138	1.1
117.07018	1.1
119.08607	1.8
120.08127	1.7
121.10149	1.3
123.08039	0.9
125.02347	0.7
127.03917	0.6
129.10306	0.5
131.08614	1.5
132.06558	0.9
133.10121	1.1
134.09697	1.2
135.11707	0.9
136.11264	0.7
138.12801	2.2
143.03410	0.6
145.10104	1.4
147.04375	0.7
147.11714	1.0
151.11267	0.6
159.11707	0.7
161.04472	1.1
172.93304	0.5
179.14268	3.2
180.13844	1.0
208.17056	1.9
218.15533	0.6
218.19104	0.8
224.20134	1.4
236.16553	0.9
236.20108	11.6
244.20670	1.0
246.18706	0.6
247.57111	0.5
250.21690	0.9
254.21179	15.4
262.21777	1.7
263.19965	0.9
264.19751	1.8
264.23224	1.5
272.22372	0.8
274.21698	5.7
282.20578	1.2
290.21310	0.7
292.22754	12.2
300.21851	0.7
310.23837	4.1
328.24835	4.0
338.23483	1.4
346.26077	1.6
356.24469	1.1
368.20276	0.6
370.25879	6.5
374.10800	1.1
383.57953	0.6
386.21564	0.9
388.26953	20.1
416.26544	2.2
432.26321	0.7
437.75479	0.6
484.73105	0.5
488.28619	2.0
530.29510	1.6
548.30707	100.0
549.31207	0.7
571.02045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01868	6.7
55.05513	24.1
57.03435	5.7
57.07068	1.9
61.02929	3.1
65.03912	2.5
67.05505	31.3
67.85949	2.1
69.03426	5.9
69.07068	20.9
69.40329	9.8
69.40746	5.0
70.06584	1.9
71.04997	3.0
72.42036	1.8
75.83114	2.0
79.05054	3.6
79.05493	44.7
81.03427	6.7
81.07053	23.6
83.04967	8.8
83.08608	10.3
85.02912	5.4
91.05481	25.3
93.07038	20.3
95.04971	16.6
95.08602	10.2
95.49426	2.0
97.02892	2.3
97.06534	87.0
97.10175	20.4
105.07043	25.2
107.04951	5.6
107.08592	57.9
109.02880	2.4
109.06553	3.5
109.10181	10.9
111.04466	3.4
114.15878	1.8
117.07017	6.3
119.08573	12.5
121.10136	6.8
123.11706	2.7
125.09640	19.8
125.14842	2.2
129.07002	5.5
131.08549	11.4
133.10124	15.4
135.08095	3.6
135.11766	2.4
143.08560	4.2
145.10138	17.1
147.04391	4.1
147.11732	11.5
149.09636	7.8
155.08687	3.2
157.10120	4.5
159.11702	5.9
161.05898	2.7
161.09563	2.5
163.03888	4.9
167.08589	3.5
169.10115	2.4
171.10245	2.9
171.11667	5.0
173.11774	3.3
173.13199	3.2
183.11720	3.0
184.08879	2.6
185.06105	2.0
185.09601	3.6
187.07555	3.9
189.09079	5.8
189.11244	14.1
191.07037	2.3
195.08005	6.0
197.05934	2.4
197.13377	2.8
199.07552	6.4
201.09085	3.0
209.09560	4.4
211.07428	3.6
213.09158	10.8
217.08499	3.6
223.07460	2.9
227.12706	13.9
231.10191	4.6
239.18007	5.5
241.08615	6.7
241.12262	6.4
245.13904	9.8
255.10387	2.6
255.13588	2.2
257.19009	18.4
259.09592	8.7
267.13766	2.7
275.20032	36.9
275.22794	3.4
283.13333	4.2
285.11234	1.9
285.14810	3.6
293.21048	3.0
301.14249	2.3
309.14716	10.2
311.12595	9.4
313.14297	8.0
327.15823	11.7
336.18558	2.0
337.14368	5.7
349.23727	100.0
350.24341	3.8
355.11359	3.4
355.15433	46.3
367.24768	8.5
373.16367	8.0
374.66150	3.2
384.11505	3.0
385.11990	2.7
511.29791	2.1
547.21429	18.5
547.29028	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	547.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01865	9.3
55.05304	2.7
55.05515	27.1
57.03439	8.5
61.02907	4.6
65.03936	3.4
67.05508	40.1
69.03413	12.2
69.07069	26.4
71.04981	4.4
71.56483	4.2
79.05499	49.5
81.03392	7.3
81.07060	40.8
83.04977	9.9
83.08617	12.7
83.32000	3.5
85.02894	8.4
91.05483	32.2
93.07054	34.6
95.04965	17.3
95.08616	20.1
97.02896	7.9
97.06535	56.8
97.10157	17.2
105.07030	32.9
107.04961	7.1
107.08603	51.3
109.06538	5.1
109.10150	13.5
111.04446	4.4
111.08049	3.5
117.07034	11.9
119.08592	22.1
119.88154	2.7
121.10151	13.3
123.11686	4.3
125.09658	13.9
127.03933	3.7
129.06987	6.7
131.08549	11.0
133.10136	18.5
135.08067	3.8
135.11690	8.4
137.09659	3.5
141.07004	4.5
143.08611	3.8
145.06516	3.3
145.10110	18.7
147.11659	13.4
148.85184	3.7
149.09586	13.7
149.13274	4.5
157.10121	7.4
159.11716	12.5
161.06004	6.6
161.09644	3.3
161.13257	5.5
163.03847	6.9
163.11154	5.1
169.10132	4.4
171.10263	4.2
171.11600	3.7
173.11752	5.3
173.13281	7.9
177.12759	6.6
183.11629	3.8
189.09169	8.2
189.11256	12.8
189.77907	4.0
195.08093	3.5
199.07616	3.1
213.09131	7.2
215.06955	3.9
215.71016	3.4
217.08545	3.5
227.12767	10.3
229.14293	7.2
229.19502	4.1
239.17894	6.5
241.08679	5.7
245.13904	8.4
255.15897	3.3
257.18991	16.6
259.09717	8.8
269.17456	16.7
275.20081	50.5
293.21176	5.5
309.14999	7.2
311.12759	7.1
313.14258	7.9
313.17825	3.4
327.15848	9.0
327.95328	3.1
337.14423	6.6
349.23706	100.0
350.24173	4.7
355.15369	35.8
367.24774	32.8
373.16602	4.9
529.20544	5.1
547.21942	9.0
547.34119	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	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.9
57.03439	6.3
61.02921	7.7
67.05504	41.4
69.07057	7.8
71.57270	6.3
79.05502	28.4
81.07065	52.1
83.08647	3.8
85.02902	6.4
91.05473	15.6
93.07046	31.9
95.08613	45.1
97.10160	5.3
105.07024	12.7
107.08588	23.8
109.10161	29.5
117.07009	4.6
119.08576	16.0
121.10150	20.1
123.11706	18.8
131.08571	10.9
133.10120	11.6
135.11668	24.8
137.13268	8.6
145.10118	16.5
147.11673	10.7
149.13252	14.9
159.11699	12.8
161.13252	9.1
163.14836	12.1
165.12805	4.5
173.13268	16.3
175.14912	3.8
177.16386	5.9
184.07297	9.3
187.14861	8.9
189.64696	3.7
243.21109	38.4
261.22147	100.0
279.23090	5.9
335.25763	27.2
353.26877	51.8
546.37946	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	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01880	3.2
55.05508	3.6
57.03431	2.1
61.02922	1.4
65.03951	1.3
67.05506	12.9
69.07067	12.5
71.04983	1.4
71.26620	2.1
71.26967	1.5
73.02943	1.1
79.05498	10.3
81.03420	6.5
81.07053	17.2
83.04971	5.1
83.08617	3.3
85.02906	2.1
91.05485	14.9
93.07050	12.9
95.01345	2.3
95.04969	4.0
95.08608	11.4
97.06517	6.4
97.14796	1.1
105.07029	20.1
107.04954	7.6
107.08607	5.3
109.06511	1.5
109.10151	2.7
117.07048	2.9
119.08574	10.6
121.06514	1.1
121.10136	2.5
123.08022	1.6
129.06969	1.1
131.08578	7.8
133.09219	1.7
133.10146	13.3
135.11696	2.9
143.08594	1.8
145.10109	5.0
147.11684	3.6
149.09575	3.0
149.13254	2.6
159.11691	3.9
161.13286	1.6
163.11212	1.7
179.14328	4.1
187.11243	2.0
194.37958	1.1
257.18994	1.6
275.20078	17.3
303.53494	1.2
305.10605	1.5
349.23740	100.0
511.28992	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	546.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01882	4.8
55.05516	8.4
56.96556	0.8
57.03430	2.0
58.12175	0.8
63.32515	0.9
67.05508	14.9
69.03423	2.5
69.07070	8.1
69.35394	3.9
69.35826	3.1
71.04990	1.9
75.37185	0.8
79.05492	15.1
81.03419	5.1
81.07059	21.0
83.05003	4.6
83.08614	3.9
85.02904	2.9
85.06563	1.3
85.61761	0.9
89.50447	0.8
91.04964	1.5
91.05485	18.0
92.10833	0.8
93.07048	14.1
95.01337	2.0
95.04958	3.2
95.08615	9.7
97.06522	6.2
97.10161	1.6
105.04530	1.0
105.07034	27.9
107.04968	6.3
107.08609	10.0
109.02880	1.0
109.06498	2.8
109.10163	6.3
111.08083	1.1
117.07040	7.3
119.07790	1.4
119.08588	17.6
121.06506	1.4
121.10153	5.0
123.08101	1.5
123.11703	1.6
125.09631	2.6
127.03941	2.0
129.07008	2.0
130.07661	0.9
131.08578	9.3
133.10130	18.7
135.08080	2.4
135.11667	3.2
137.09637	1.4
139.48419	0.9
141.06972	1.4
143.08572	2.0
145.06483	1.9
145.10155	6.5
147.11714	7.0
149.09642	6.9
149.13278	1.4
157.10136	2.5
159.11688	5.6
161.09569	1.1
161.13211	1.8
163.11118	1.3
163.14803	1.0
165.12689	1.2
169.10208	1.0
171.11792	1.0
173.13229	2.1
177.12724	1.5
178.02644	0.9
179.14317	3.7
183.11726	1.4
187.11206	1.0
193.12193	0.9
239.17981	1.7
247.20772	1.1
257.19086	3.0
275.20068	33.3
285.17136	1.2
293.21088	2.5
349.23737	100.0
367.24976	0.9
395.60342	1.0
407.84521	0.8
419.24368	4.9
437.25269	1.6
511.28925	2.7
546.46490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01866	3.7
55.05519	11.2
57.03430	3.7
60.32135	1.9
60.46691	1.7
61.02902	3.2
62.75437	2.1
67.05514	19.7
69.03426	7.4
69.07079	10.6
70.70844	2.2
71.04993	4.8
71.39040	5.3
72.38699	1.7
75.84123	1.7
79.05476	14.0
80.04475	1.9
81.03416	9.9
81.07063	24.8
83.04977	5.6
83.08619	5.2
83.90605	1.9
85.02911	12.2
91.05485	18.4
93.07052	21.0
95.04996	5.0
95.08619	14.2
97.02886	5.5
97.06528	6.6
97.10145	3.6
105.07040	20.8
107.04939	5.7
107.08604	16.0
109.02862	4.8
109.06522	7.0
109.10176	9.2
111.08102	2.1
117.07033	5.8
119.08588	13.2
121.06507	10.9
121.10130	9.8
123.08063	5.9
123.11715	3.0
125.09633	2.6
126.38426	1.9
127.03938	27.7
129.07005	4.1
131.08569	17.0
133.06505	3.3
133.10126	18.7
135.08052	7.8
135.11714	6.0
136.07530	2.0
137.09613	4.2
141.06944	2.9
143.08545	3.1
145.06456	2.5
145.10132	15.8
147.04419	2.6
147.11714	12.2
149.09608	5.7
151.11191	4.7
155.08621	2.7
157.10118	4.8
159.08011	4.1
159.11693	8.7
161.09656	3.1
161.13220	3.3
163.11209	6.9
165.12691	2.2
170.99182	2.0
171.11659	2.9
173.09657	4.6
173.13272	6.1
174.35039	2.0
175.11209	4.7
187.11238	4.4
191.14326	3.0
193.12393	1.9
197.13356	2.9
199.14819	1.9
201.12759	4.0
211.13264	2.9
214.01410	2.4
219.13806	3.7
229.19626	2.8
239.17899	2.9
247.20552	2.7
257.19012	13.2
275.20093	100.0
293.21143	38.8
300.14322	2.0
305.60620	2.5
335.22198	11.5
349.23743	81.4
367.24796	23.6
383.22165	5.6
399.87442	2.0
401.23163	7.3
419.24304	31.3
437.25415	46.9
459.54572	2.8
546.35535	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	546.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05508	3.6
56.96549	1.1
57.03440	3.6
57.07059	2.0
60.89914	0.7
62.06085	1.0
64.06871	0.7
64.37063	0.6
67.05509	6.5
69.03435	0.6
69.06789	0.6
69.07071	6.8
71.04980	1.5
71.08625	4.4
79.05498	5.2
81.03389	1.1
81.07056	11.1
83.04956	1.3
83.08617	3.2
85.06525	1.5
91.05478	5.2
93.07041	8.3
95.04951	1.8
95.08601	8.5
97.06519	2.4
97.10161	2.0
98.98470	2.4
99.08082	2.4
105.07043	7.2
107.08587	7.8
109.06506	7.0
109.10168	3.6
109.85693	0.6
111.08031	1.5
117.07020	1.2
119.08575	9.8
121.06530	0.7
121.10146	5.4
123.07211	0.8
123.08064	13.8
123.11670	1.4
125.09649	1.2
129.06985	0.8
131.08557	3.0
133.10133	7.1
135.08035	6.6
135.11708	1.8
137.09616	1.3
143.08490	1.3
145.10094	3.9
147.08127	0.7
147.11710	6.3
149.09602	1.6
149.13219	3.1
157.10161	1.7
159.11684	2.9
161.09619	0.8
161.13315	1.3
163.11244	1.0
165.12698	0.8
167.14351	0.8
169.09950	0.7
173.13216	1.2
175.11235	0.9
175.14847	5.8
177.12769	3.7
177.14148	0.7
177.16380	0.8
179.14311	23.3
187.14806	1.1
191.14272	0.8
193.15848	2.1
196.75443	0.8
205.15933	3.4
216.06168	1.3
247.20409	0.7
263.20145	1.2
275.20044	1.2
289.21655	5.4
289.24896	1.2
293.21106	2.1
303.26813	1.7
319.22693	1.2
331.26352	10.1
332.14560	0.9
347.25812	1.2
349.23685	1.1
349.27383	5.1
361.27191	1.0
369.27893	1.8
374.30563	3.2
375.29092	1.8
387.28946	4.6
405.29993	100.0
406.29727	1.1
423.30859	0.9
485.26617	1.1
503.27744	4.2
514.27679	2.8
528.30841	1.2
546.30695	9.0
546.38666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.3
69.03432	1.6
70.06595	5.0
71.56235	1.2
72.08158	66.7
80.05043	1.2
81.03418	2.6
83.11166	1.2
84.04502	7.7
85.02906	2.3
86.06071	2.9
86.09671	1.2
89.10262	2.0
89.10797	32.1
90.43844	1.2
96.04495	10.7
97.02897	2.4
98.06072	2.7
98.97585	2.6
102.04510	1.2
109.02876	3.2
116.07092	3.0
119.04922	1.4
126.05509	12.4
127.03915	1.6
129.06569	2.4
130.05020	4.5
133.22052	1.1
136.06201	2.0
137.10754	2.4
138.05511	64.0
138.09137	4.2
144.06541	12.3
144.07419	1.0
147.04439	3.0
155.11768	6.1
156.16154	1.1
164.90256	1.0
168.06583	11.7
180.20891	1.0
183.11237	1.6
184.09686	2.1
186.07623	10.1
195.00288	0.9
200.13974	7.0
201.12325	2.7
218.15015	15.8
237.02808	2.3
258.09775	1.3
301.13898	5.5
329.13464	4.8
343.19736	2.0
361.20831	14.0
373.04291	1.2
528.26654	1.2
531.81769	1.2
541.22772	1.2
546.27734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01883	3.7
55.05514	27.9
57.03429	9.3
57.07059	2.7
65.03941	3.2
67.05505	59.1
69.03419	3.1
69.07076	14.6
69.44932	11.6
71.04987	4.5
79.05495	37.4
81.03412	25.1
81.07056	56.8
83.04977	5.6
83.08624	15.9
85.06552	4.5
91.05479	34.3
91.75365	1.7
93.07046	37.9
95.04976	19.3
95.08607	37.6
97.06542	3.0
97.10179	16.9
98.20753	2.9
99.08086	1.7
105.07034	24.2
107.04961	6.0
107.08600	27.5
109.06547	5.9
109.10172	25.6
111.08097	5.6
111.11822	1.5
113.05986	1.8
117.06998	12.9
119.08590	28.1
121.06521	6.5
121.10134	13.9
123.08064	3.7
123.11735	6.5
125.09637	13.4
129.07030	5.6
129.09187	1.6
131.08578	21.9
131.52350	1.6
133.06480	1.6
133.10129	19.4
135.08058	4.1
135.11682	11.8
137.09602	4.3
137.13274	2.4
139.11176	2.3
141.06972	3.0
142.07779	2.1
143.08583	8.9
145.10133	18.6
147.08015	3.0
147.11670	12.2
148.67549	1.4
149.09648	4.3
149.13264	4.7
153.09135	1.6
155.08514	3.0
157.10153	8.2
159.11703	15.1
161.09688	1.8
161.13246	7.8
163.11191	3.9
165.12778	1.7
167.28781	1.9
169.10162	4.2
171.10294	2.1
171.11726	7.7
173.09521	1.7
173.11867	3.6
173.13304	7.8
175.11227	6.0
175.14807	3.8
177.12743	1.8
183.11827	3.7
185.13269	6.1
187.14825	4.5
189.11226	7.9
189.16489	2.1
192.58698	1.6
193.12216	10.4
197.13235	2.7
199.14789	2.7
201.16470	2.1
219.17490	1.8
227.12761	14.1
247.16989	2.5
249.14778	2.1
261.22137	12.3
267.15881	23.0
273.18689	1.7
275.20114	2.7
279.23245	2.3
281.21143	2.4
285.22159	3.0
287.20068	3.0
295.22598	2.1
299.23611	2.0
301.25226	14.9
303.23178	2.5
317.24841	3.7
335.25769	21.8
359.25995	1.8
398.70831	1.6
403.24356	1.9
404.92636	1.6
421.25809	3.7
435.27835	2.5
435.32608	7.6
449.27939	1.6
453.33838	12.1
471.34683	9.9
474.07947	1.7
527.37250	50.6
545.38403	100.0
569.92755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.6
55.01878	11.7
55.05519	46.2
55.47680	3.4
56.96574	5.4
57.03443	27.0
61.02922	11.7
65.03952	3.9
67.05178	4.6
67.05509	61.4
69.03436	28.9
69.07066	31.9
69.91734	8.8
69.92132	12.0
71.04988	8.4
73.02920	6.9
74.14245	3.6
79.05502	56.4
80.39879	4.2
81.03423	74.6
81.07066	74.1
83.04978	22.3
83.08634	34.5
85.02902	31.7
85.06536	6.8
91.03948	8.3
91.05485	45.5
93.07056	44.8
95.04977	34.1
95.08618	29.0
97.02895	25.7
97.06546	12.5
97.10175	33.5
98.21369	5.6
98.97595	7.4
99.04451	4.6
105.07043	30.5
107.04970	14.2
107.08613	36.5
109.02882	7.2
109.06506	15.6
109.10163	27.4
111.04460	8.0
111.08084	16.6
113.35354	4.6
115.07600	6.0
117.07046	13.5
119.08595	35.8
121.06490	8.6
121.10162	21.3
123.08060	21.4
123.11733	9.3
125.09630	27.4
125.43813	4.1
127.03922	14.8
129.05478	5.2
129.07002	14.9
131.08559	22.4
133.06549	6.1
133.10136	20.6
135.08080	11.9
137.09627	7.8
143.08629	7.1
145.10167	12.3
147.04395	6.7
147.08075	15.2
147.11723	12.0
149.09639	13.8
149.13257	5.3
157.10110	14.4
159.07979	5.6
159.11713	9.6
161.09666	7.9
165.09123	7.2
171.11713	4.2
175.11156	8.9
185.13428	5.0
189.11267	16.1
193.12245	59.3
197.05916	3.9
211.13290	28.2
221.11687	4.2
223.13321	13.1
227.12791	11.6
227.18030	6.9
229.14334	5.1
245.13834	4.9
249.14911	5.4
267.15921	20.1
269.17499	11.6
271.05991	23.4
273.18536	43.5
285.16980	85.0
291.19571	82.3
301.14233	5.5
325.14389	10.9
347.22147	18.4
365.23236	100.0
383.11200	6.0
383.24411	9.9
429.21127	11.7
527.28638	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	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
54.64267	1.1
55.01884	6.0
55.05509	5.7
57.03439	18.1
57.07063	1.9
60.04524	1.9
61.02923	2.8
65.03941	3.3
66.15312	1.1
67.05508	32.2
68.99796	1.5
69.03434	4.0
69.07065	4.1
69.32862	9.7
70.06593	1.9
71.04986	3.8
73.02918	1.8
79.05495	15.4
80.05022	2.8
81.03403	4.4
81.07057	18.9
82.06562	1.6
83.04954	3.3
83.08608	2.5
84.08153	2.0
85.02912	4.6
85.06551	17.7
91.05486	19.5
93.07041	16.4
94.06565	4.5
95.04976	35.0
95.08626	9.0
97.02869	2.9
97.06526	12.9
97.10149	1.1
103.03973	1.4
103.90595	1.2
105.07008	10.6
107.04975	6.2
107.08588	10.8
108.08160	1.3
109.02886	2.2
109.05792	1.8
109.06525	34.6
109.10176	5.7
111.04443	1.2
111.08066	2.5
113.06014	51.2
117.07030	8.2
117.07723	1.3
119.04951	8.3
119.08591	7.8
121.02905	1.4
121.06503	3.7
121.10137	4.9
123.08087	2.8
123.11702	1.3
127.03959	2.1
129.07024	2.8
131.08575	11.4
133.10133	4.6
135.04410	2.0
135.08076	22.4
135.11685	5.4
137.02351	6.4
143.08562	4.8
145.10156	6.0
147.04422	22.0
147.08067	4.1
147.11671	2.0
149.01268	1.2
149.02359	1.6
149.09621	4.4
149.13293	1.3
152.40723	1.1
155.08467	1.3
157.10120	3.7
159.08006	2.2
159.11699	3.3
161.09622	4.6
163.03908	2.3
163.11174	2.2
165.01830	12.0
165.09143	1.2
167.03450	1.8
171.11740	1.6
173.13268	2.4
175.11176	2.0
177.12772	1.9
183.02933	3.1
185.13329	1.4
187.04012	1.6
195.02945	1.6
199.14749	3.5
201.12828	1.4
217.15857	4.8
218.19086	1.3
229.05016	1.7
229.08661	1.5
231.10252	1.5
233.08141	2.5
233.15399	1.6
253.04883	2.5
255.17320	1.8
257.04480	6.5
257.08081	1.3
267.06497	2.5
269.04425	15.8
270.05295	3.8
271.06042	2.6
272.06750	2.9
273.18533	19.5
281.04468	5.1
281.07813	1.5
282.05090	2.1
283.06009	4.6
284.06595	1.4
286.04782	4.3
287.05414	5.1
291.19537	54.0
295.05988	9.7
296.06818	3.5
297.07639	2.1
298.04758	9.6
299.05493	26.5
300.06332	8.1
307.18909	2.4
307.23703	3.1
309.07492	5.3
309.20538	1.4
310.04663	3.4
311.05542	6.2
312.06204	2.0
319.06091	1.6
324.06104	3.8
325.06995	3.3
328.05792	14.1
329.06616	4.5
335.05563	2.2
347.05386	2.0
347.22263	5.7
352.05692	2.0
353.06552	1.4
353.13889	2.7
363.26205	1.5
365.06647	2.0
365.23230	95.2
373.15137	2.4
373.65662	1.7
379.11655	2.4
381.27563	5.8
383.06729	2.0
383.11270	27.8
383.24243	2.0
393.13278	4.0
395.11279	100.0
396.11935	1.6
399.28549	42.6
407.11053	7.1
409.13089	1.6
419.11142	1.5
421.13123	13.7
425.12354	89.1
433.12781	1.7
435.14523	15.8
445.12714	3.6
449.12357	42.5
461.12311	12.6
463.13669	3.3
473.12344	9.1
479.13425	27.5
491.06876	1.9
491.13403	21.5
509.14499	36.6
527.15521	32.3
527.31500	10.3
545.16455	39.3
545.32367	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11399	3.4
52.20834	3.3
53.03939	5.0
55.01866	9.5
55.05516	36.5
56.40126	3.3
56.96572	5.5
57.03440	21.0
57.24304	3.4
61.02932	17.3
62.81784	3.6
67.05512	50.2
69.03428	22.8
69.07063	27.4
70.69189	9.9
71.04983	7.6
73.02917	7.6
79.05502	42.1
81.03419	62.9
81.07059	45.7
83.04980	14.1
83.08626	28.7
85.02910	32.9
91.03951	8.7
91.05469	36.4
93.07056	31.0
95.04967	27.9
95.08611	16.5
97.02888	29.4
97.06521	9.7
97.10165	22.2
99.04451	3.7
105.07060	27.3
107.04961	10.9
107.08612	25.2
109.02900	9.0
109.06516	7.6
109.10175	17.0
111.04460	8.5
111.08063	12.3
117.07027	14.1
117.07803	3.6
119.08588	26.9
121.06511	6.7
121.10135	16.0
123.08067	15.3
125.09635	23.5
127.03898	11.0
129.02089	3.2
129.05511	4.3
129.07024	9.6
131.08562	15.8
133.06522	5.1
133.10130	16.2
135.08093	5.8
135.11655	7.5
137.09555	5.6
145.10106	11.7
147.08028	11.8
147.11676	14.3
149.09608	8.9
157.10135	12.8
159.11603	5.0
161.09676	8.3
163.11166	4.9
175.11192	13.8
180.95691	3.7
189.11259	21.1
193.12253	42.2
211.13292	40.4
213.12839	3.9
223.13264	20.7
224.08005	10.2
227.12804	8.8
229.14455	7.3
249.14841	4.7
255.17332	4.6
259.99713	3.4
267.15829	8.0
273.18542	28.7
285.16974	70.7
291.19525	98.3
321.24088	4.2
347.22308	6.0
365.23254	100.0
383.24139	11.2
429.21286	6.3
509.27567	3.9
527.27686	7.9
545.28986	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01873	7.7
55.05510	8.9
57.03177	2.0
57.03437	18.3
57.07033	1.2
61.02929	2.3
65.03927	2.9
67.05177	2.4
67.05508	32.7
69.03425	4.2
69.07052	5.6
70.17497	4.4
71.04990	1.5
79.05494	19.7
81.03391	5.8
81.07059	28.7
81.61166	1.3
83.04987	3.4
83.08601	3.3
85.02901	6.0
85.06555	14.5
91.05474	15.6
93.07048	20.1
95.04972	44.5
95.08610	11.4
97.02930	2.3
97.06529	8.0
97.10173	2.3
98.20839	1.5
98.97543	1.2
99.04503	1.4
105.07040	12.6
107.04975	5.9
107.08601	12.8
109.02859	2.7
109.06521	48.2
109.10144	5.1
111.04437	2.5
111.08105	1.7
113.05231	2.6
113.06008	45.9
115.05432	1.3
117.07022	7.4
119.08582	11.0
121.06534	6.1
121.10153	4.2
123.08080	2.6
125.09631	2.2
127.03921	4.4
128.06247	1.7
129.06998	5.2
129.99388	1.1
131.08571	13.5
133.06499	2.6
133.10165	6.1
133.96960	1.2
135.08051	32.8
135.11694	5.6
137.09616	3.6
143.08577	6.8
145.10115	9.5
147.08037	5.2
147.11668	3.4
149.09604	5.1
149.13289	1.7
155.08525	1.8
157.10098	4.4
159.11688	4.7
161.09657	8.8
163.11218	3.4
171.11681	2.6
173.13255	2.6
177.12758	2.7
185.13260	1.2
187.11168	1.3
199.14989	2.7
217.15936	7.6
219.13760	2.1
227.17911	2.1
233.15387	2.7
237.16211	1.4
241.05019	2.5
245.19069	2.6
255.17496	3.5
257.04480	3.2
271.06064	2.7
273.18503	32.2
287.05475	4.1
291.19550	100.0
292.19778	1.3
297.11093	1.4
307.18884	2.2
325.14581	1.3
330.89236	1.3
347.22220	9.8
353.13797	5.5
355.15186	1.3
365.23230	60.1
383.11319	18.3
417.22748	1.4
425.12344	1.8
435.23929	5.2
545.16693	1.6
545.29614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01868	8.8
55.05513	22.4
55.65638	2.8
56.96554	2.9
57.03431	12.1
61.02923	11.7
65.03927	3.3
67.05512	34.6
69.03425	15.2
69.07071	16.6
70.07845	4.5
70.08244	5.5
71.04992	4.2
73.02914	7.5
79.05496	32.0
81.03425	32.8
81.07056	48.4
83.04971	10.9
83.08624	13.8
85.02906	19.5
91.03946	10.5
91.05485	30.9
93.07047	30.1
95.04953	15.2
95.08607	20.5
97.02909	16.4
97.06528	9.3
97.10175	12.0
98.97569	2.7
99.04453	3.5
101.02339	2.7
105.07032	23.4
107.04983	16.4
107.08598	20.5
109.02884	5.3
109.06519	9.7
109.10159	18.6
111.04462	3.8
111.08047	5.6
115.41681	3.0
117.07050	12.3
119.08585	16.6
121.06530	5.6
121.10138	14.1
123.08077	10.2
125.09634	10.7
127.03904	8.0
129.05479	3.2
129.07016	5.7
131.08571	13.0
133.06505	6.9
133.10161	19.0
135.08034	8.4
135.11661	7.3
137.06058	2.4
137.09641	5.2
143.08528	5.3
145.05023	2.7
145.10094	9.1
147.08063	6.1
147.11662	6.1
149.09589	10.1
151.11143	6.7
157.10132	6.3
159.11662	4.4
161.09610	6.7
161.13298	3.0
163.11157	3.7
171.11658	4.6
173.09642	4.6
175.11223	8.6
189.11227	3.2
189.12738	3.3
193.12265	20.8
211.13379	14.4
223.13277	5.1
227.12805	3.2
229.14597	4.0
245.19019	4.7
249.14713	3.4
253.14429	7.6
267.15918	8.9
269.14047	3.1
273.18500	28.9
285.16895	31.1
291.16605	3.1
291.19583	45.6
292.12430	4.6
301.10965	4.1
325.14282	4.5
347.22180	13.4
365.23242	100.0
373.15054	2.9
383.24329	4.4
407.24103	3.5
429.21265	5.7
513.95074	2.6
527.28497	8.8
545.17908	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01873	7.7
55.05510	8.9
57.03177	2.0
57.03437	18.3
57.07033	1.2
61.02929	2.3
65.03927	2.9
67.05177	2.4
67.05508	32.7
69.03425	4.2
69.07052	5.6
70.17497	4.4
71.04990	1.5
79.05494	19.7
81.03391	5.8
81.07059	28.7
81.61166	1.3
83.04987	3.4
83.08601	3.3
85.02901	6.0
85.06555	14.5
91.05474	15.6
93.07048	20.1
95.04972	44.5
95.08610	11.4
97.02930	2.3
97.06529	8.0
97.10173	2.3
98.20839	1.5
98.97543	1.2
99.04503	1.4
105.07040	12.6
107.04975	5.9
107.08601	12.8
109.02859	2.7
109.06521	48.2
109.10144	5.1
111.04437	2.5
111.08105	1.7
113.05231	2.6
113.06008	45.9
115.05432	1.3
117.07022	7.4
119.08582	11.0
121.06534	6.1
121.10153	4.2
123.08080	2.6
125.09631	2.2
127.03921	4.4
128.06247	1.7
129.06998	5.2
129.99388	1.1
131.08571	13.5
133.06499	2.6
133.10165	6.1
133.96960	1.2
135.08051	32.8
135.11694	5.6
137.09616	3.6
143.08577	6.8
145.10115	9.5
147.08037	5.2
147.11668	3.4
149.09604	5.1
149.13289	1.7
155.08525	1.8
157.10098	4.4
159.11688	4.7
161.09657	8.8
163.11218	3.4
171.11681	2.6
173.13255	2.6
177.12758	2.7
185.13260	1.2
187.11168	1.3
199.14989	2.7
217.15936	7.6
219.13760	2.1
227.17911	2.1
233.15387	2.7
237.16211	1.4
241.05019	2.5
245.19069	2.6
255.17496	3.5
257.04480	3.2
271.06064	2.7
273.18503	32.2
287.05475	4.1
291.19550	100.0
292.19778	1.3
297.11093	1.4
307.18884	2.2
325.14581	1.3
330.89236	1.3
347.22220	9.8
353.13797	5.5
355.15186	1.3
365.23230	60.1
383.11319	18.3
417.22748	1.4
425.12344	1.8
435.23929	5.2
545.16693	1.6
545.29614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01888	4.9
55.05519	4.9
57.03440	26.3
57.07048	1.1
61.02911	3.0
65.03938	2.1
67.05508	32.3
67.05870	1.6
69.03417	3.9
69.07077	4.7
69.32758	6.7
71.04986	3.4
79.05493	16.9
81.03416	3.4
81.07063	15.6
83.04975	3.1
83.08610	1.7
85.02882	4.2
85.06549	22.6
91.05480	14.8
93.07047	15.9
95.04974	45.0
95.08602	8.4
97.02855	1.8
97.06533	4.3
97.10133	1.4
99.04440	2.3
99.08105	1.2
105.07027	9.5
107.04958	4.7
107.08609	12.0
109.02873	1.1
109.06522	40.8
109.10163	3.9
111.04448	1.2
111.08099	1.8
113.06010	60.6
114.77523	0.9
115.05488	1.3
117.07021	7.9
119.08591	6.7
121.06487	3.9
121.10120	3.4
123.08072	2.5
127.03887	1.0
128.06178	1.6
129.06992	3.5
131.08560	8.9
133.06406	1.1
133.10130	4.6
135.08060	31.8
135.11679	4.7
137.09595	1.1
142.07845	1.3
143.08543	5.4
145.06464	1.3
145.10141	6.5
147.08040	2.8
147.11664	2.1
149.09615	3.3
149.13245	1.1
151.11211	1.3
155.08527	2.1
157.10144	3.1
159.07997	2.4
159.11734	4.5
160.07550	0.9
161.09602	4.3
161.13187	1.1
163.11150	2.2
169.10216	1.3
171.11671	2.5
173.09566	1.1
173.13263	2.8
175.11143	2.7
183.11722	1.1
185.09691	1.6
185.13162	1.2
187.11179	1.5
195.11794	1.2
195.13773	1.3
199.14758	2.2
217.15913	9.2
219.13795	1.4
233.15320	1.2
245.18941	1.7
255.17313	1.5
257.04431	6.3
258.05225	2.0
269.04407	2.4
273.18478	22.0
286.04816	2.1
287.05493	2.6
291.19547	61.0
292.12491	1.7
295.05865	1.1
298.04874	2.2
299.05576	3.5
305.10458	1.5
307.19052	4.5
328.05731	1.5
338.07861	1.0
347.22125	8.1
353.13821	1.8
365.23242	100.0
374.15726	1.7
383.06671	1.4
383.11276	21.7
395.11218	6.7
425.12436	5.0
449.12479	3.6
473.12274	1.1
473.25198	1.0
479.13354	1.8
491.13330	1.8
509.14365	3.3
509.28394	1.2
527.15808	2.0
527.28314	1.2
545.16577	1.9
545.30737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.9
57.23696	9.5
67.05493	46.2
69.07067	15.1
70.61729	38.3
74.29649	10.2
79.05493	35.0
81.07076	47.2
82.62251	10.7
83.08608	11.9
83.48180	10.0
85.07127	10.4
91.05479	17.1
93.07084	48.6
95.05038	9.2
95.08630	24.8
97.06502	11.1
97.10194	13.4
103.88995	10.4
105.07050	25.2
107.08602	26.5
109.10159	15.4
117.07012	12.4
121.10123	13.6
131.08530	11.8
133.10173	14.1
135.11668	15.0
136.12051	11.2
145.10126	16.1
163.11125	11.9
227.12733	26.0
228.13229	14.0
275.14233	10.2
311.25644	15.0
351.52881	10.3
526.36005	22.0
544.21033	12.7
544.37115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68541	0.5
54.71272	0.6
55.01873	0.6
55.05508	1.0
56.05028	0.8
59.32637	0.6
63.88367	0.6
67.05502	1.4
68.05025	1.6
68.99806	0.7
69.03429	0.7
69.33832	5.2
70.06599	13.3
72.08151	1.1
74.06077	3.2
83.04977	1.5
84.04513	1.0
84.08135	1.1
84.22955	0.6
85.02905	0.8
86.06101	0.5
86.09708	13.7
90.12889	0.5
93.07023	0.7
95.04972	1.0
98.21511	1.2
109.61505	0.6
111.04470	1.0
114.05541	4.5
123.32066	0.5
129.06985	0.7
143.08641	0.9
145.10155	0.9
152.06206	5.2
153.07045	0.8
163.11188	0.8
165.07025	3.6
166.07784	1.0
167.08586	9.3
169.06540	1.7
170.28226	0.7
183.08163	1.1
187.03937	0.8
187.14397	1.1
193.06429	4.4
195.08109	1.6
197.13054	0.8
205.10234	1.3
206.09688	1.1
211.07526	5.5
213.05568	1.1
215.14041	0.7
219.13547	0.9
222.12802	0.9
223.07643	0.9
225.12291	1.1
227.12817	0.8
228.06442	1.1
229.08696	0.7
232.11273	1.1
234.09244	2.4
234.12813	1.6
236.07135	0.7
237.05498	1.3
238.08630	0.7
239.07027	1.7
243.08775	0.7
250.08643	5.4
251.09355	5.0
251.13095	0.7
252.10217	1.8
252.13919	1.8
254.08165	1.6
254.11894	1.1
255.06485	2.7
255.09000	3.0
256.09686	3.0
260.10767	1.1
261.11603	0.8
262.12256	3.2
264.10248	1.5
265.08578	0.9
267.09100	0.8
268.09787	1.3
278.08231	3.7
278.11819	7.6
279.12534	3.6
280.13324	8.9
282.11316	1.6
283.08444	1.4
283.15488	1.6
288.10254	1.1
290.11731	0.8
295.12079	1.9
296.09247	32.4
296.12857	8.9
297.10263	0.8
297.13474	1.4
298.14581	0.8
300.08759	5.5
306.11285	10.8
307.12103	0.9
308.12961	1.8
310.10757	1.0
311.11523	0.8
314.10242	1.0
314.14114	0.9
324.08716	2.0
324.12271	29.8
326.13666	0.7
326.17111	1.9
334.10907	1.5
341.09030	2.2
342.09705	3.7
342.13361	31.2
352.11807	58.1
353.12540	0.7
370.12894	8.2
393.24747	0.9
411.26102	1.4
421.25015	0.8
470.14285	4.5
480.16791	0.9
498.17578	3.0
515.14282	1.7
516.19031	5.1
526.17157	7.6
526.28815	0.7
529.37775	0.8
544.18182	100.0
545.18463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
67.05489	1.0
68.05041	1.6
69.07076	0.6
70.06593	12.7
71.04982	0.5
83.04964	1.6
84.08156	0.7
85.02920	0.7
86.09705	6.0
89.72829	0.6
91.05441	0.5
95.04951	1.0
111.04416	0.6
114.05532	5.6
118.60596	0.5
120.08141	0.6
131.00140	0.5
142.07768	0.7
143.08600	0.6
152.06226	5.5
153.07001	0.7
157.10020	0.6
165.06990	3.9
166.07823	0.8
167.08578	7.6
169.06483	1.3
179.14247	0.5
183.08118	2.0
192.09390	0.6
193.06416	4.0
194.09743	0.6
195.08064	1.8
206.09740	1.2
210.09215	0.7
211.07585	5.1
211.09566	1.1
213.05650	1.1
215.13901	1.5
217.10201	0.9
218.09657	0.8
224.07045	0.7
228.06512	0.6
232.11240	0.7
234.09152	2.8
234.12785	2.3
235.11229	0.6
236.10655	1.0
237.05530	1.1
238.08664	1.4
239.07004	1.7
240.06544	0.6
243.13467	1.4
247.10071	1.0
250.08730	4.5
250.11238	0.6
250.12323	0.7
251.09389	4.3
251.13144	0.7
252.10179	1.9
252.13858	1.0
254.08202	1.4
254.11740	0.7
255.06540	3.2
255.08655	3.4
256.07318	0.6
256.09702	2.9
260.10715	1.9
261.11563	0.8
262.12238	3.1
264.10223	1.9
268.09787	1.1
271.08899	0.5
277.11050	0.8
278.08255	3.9
278.11819	8.6
279.12579	3.9
280.13348	9.4
282.11252	0.9
283.08487	0.8
288.10254	1.1
290.11710	1.2
294.11081	0.7
295.12018	3.4
296.09225	33.8
296.12830	6.7
297.10193	0.9
297.13525	1.2
298.14386	0.8
300.08676	6.7
306.11224	11.1
308.12555	2.5
310.10815	1.0
311.11481	0.8
324.08698	1.5
324.12250	32.3
324.61765	1.2
326.13849	0.7
334.10736	2.2
340.12662	1.2
341.08920	3.0
342.09653	3.9
342.13342	32.2
349.13553	1.0
352.11801	67.0
356.21606	0.9
370.12863	11.0
372.68085	0.5
470.14246	5.2
480.16336	1.1
498.17673	2.8
515.14270	2.5
516.19043	5.8
526.16992	9.4
544.18158	100.0
545.18610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01869	4.1
55.05265	1.2
55.05513	17.0
57.03432	3.1
57.07079	2.0
65.03933	2.0
67.05505	42.2
69.03410	2.2
69.07065	10.3
71.04977	3.0
71.08607	0.9
71.57832	1.2
73.65687	1.0
79.05495	51.3
81.03400	2.9
81.07060	38.1
83.04986	4.1
83.08619	7.3
85.06546	1.8
86.49426	1.1
88.78825	0.9
91.05481	25.3
93.07045	59.7
95.04967	8.9
95.08605	46.0
96.08957	0.9
97.02874	3.1
97.06533	5.9
97.10197	1.3
99.04448	3.0
105.04525	1.3
105.06384	1.6
105.07038	16.4
106.03574	1.1
107.04947	8.8
107.08600	36.7
109.06517	3.2
109.10151	8.2
111.08131	1.8
115.05491	1.0
117.07028	12.6
119.08580	15.7
121.06529	6.2
121.10143	21.5
123.08049	1.4
123.11727	2.1
125.06032	2.4
125.09612	1.3
129.07048	1.3
131.08537	9.0
133.10107	8.2
135.08078	2.7
135.11696	38.5
137.13226	1.0
137.50409	1.0
141.27299	1.2
143.08582	2.7
145.06380	1.0
145.10121	27.4
147.11722	3.0
149.09512	1.6
149.13255	2.4
155.08524	1.6
157.10109	1.5
159.11659	5.2
160.58017	1.1
161.13234	1.5
163.11177	50.0
169.10156	1.3
171.11609	1.5
173.09628	2.1
173.13274	3.6
173.55000	1.1
181.12222	10.5
185.13295	1.1
209.11794	1.8
214.94788	6.3
227.12782	100.0
243.21091	2.2
261.22168	4.7
265.14417	2.0
283.54977	1.1
317.24780	2.2
451.31955	1.9
463.30270	1.2
469.33035	2.2
525.35449	3.4
543.21082	10.6
543.36792	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19569	1.2
51.53921	1.1
53.03939	4.7
55.01861	3.5
55.05513	19.0
57.03440	1.5
57.07058	1.9
64.61420	1.1
65.03934	3.6
67.05506	42.5
69.03433	1.7
69.07076	11.6
69.90640	2.1
69.91039	5.8
71.04998	2.3
73.02888	1.7
74.15724	1.2
79.05499	45.6
81.03405	3.3
81.07059	38.4
83.04985	2.7
83.08636	10.1
91.04962	2.1
91.05486	23.0
91.06023	2.4
93.07048	57.1
95.04977	8.7
95.08611	45.1
97.02895	4.6
97.06513	3.6
97.10178	3.1
98.20850	2.3
99.04440	2.8
103.05466	1.6
105.04549	1.5
105.07042	17.2
107.04956	7.9
107.08600	34.9
109.06511	4.0
109.10167	8.1
111.08018	1.4
114.10828	1.2
115.05444	1.3
116.31431	1.3
117.07019	13.7
119.08592	17.3
121.06490	5.2
121.10153	20.4
124.11303	1.6
125.05969	1.3
125.09546	1.2
126.21220	1.2
129.07014	2.4
130.07787	2.5
131.08572	6.5
133.10129	8.5
135.08107	2.7
135.11696	44.9
141.86476	1.1
143.08575	2.4
145.10136	25.9
147.11679	2.9
149.13261	2.4
153.12741	1.5
157.10147	2.2
159.11688	3.1
161.13263	2.0
163.11195	48.7
171.11725	1.6
173.13219	2.9
177.57990	1.1
181.12234	9.9
185.13257	1.2
185.64201	1.3
187.14883	1.6
199.81775	1.2
209.11765	2.0
214.94875	3.2
227.12784	100.0
243.21133	2.8
261.22195	4.6
317.24677	2.0
433.31448	1.5
451.15964	2.3
525.34991	1.8
543.20673	6.7
543.36700	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3661
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.94228	1.4
65.77299	1.5
68.18836	1.2
69.07070	1.9
70.15584	6.2
81.07072	1.6
93.07032	1.8
94.25128	1.4
123.75150	1.3
155.93234	1.4
229.51923	1.4
392.72894	1.5
396.17685	1.5
454.05945	1.5
490.32272	1.5
542.54797	1.5
543.36639	100.0
544.36768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82571	0.6
56.96564	2.8
69.03418	1.3
70.06598	1.0
70.98120	0.7
71.56144	0.7
81.03413	0.9
84.08131	1.1
84.16682	0.6
84.96044	0.7
85.02904	1.6
86.09717	0.7
97.02901	2.0
98.97577	6.8
101.00929	0.7
103.00670	0.8
107.92209	0.6
110.97590	2.1
112.99150	2.8
116.98656	2.0
119.01940	1.5
127.03931	1.2
128.98634	1.9
131.00175	2.0
133.01659	0.8
133.03522	1.0
136.06187	1.0
143.00053	0.8
143.01947	2.3
145.01726	1.5
145.03459	1.0
146.99677	1.4
147.03252	0.8
147.04268	1.3
155.01930	1.1
156.79057	0.7
157.01678	0.8
157.03566	0.8
158.99660	0.9
159.03255	1.1
161.03020	1.5
163.02744	1.1
169.01752	0.7
170.99648	1.1
171.04976	0.9
173.01271	2.2
173.02928	1.3
175.02789	1.0
177.00798	0.9
185.02957	1.2
187.02780	2.3
188.97127	0.8
189.00734	1.3
191.02325	1.9
199.04599	0.8
201.00676	2.0
203.02220	0.8
212.62726	0.6
219.01877	3.4
221.05200	0.7
230.98303	0.9
231.07188	1.2
233.03311	0.9
237.02870	2.0
244.99571	0.7
245.05139	2.6
246.05270	1.0
247.04922	4.3
247.40500	0.7
261.02936	2.1
263.00803	0.7
264.07523	0.7
269.03671	0.8
277.05661	0.9
279.04001	2.0
291.04071	1.2
314.24176	0.7
321.04898	2.1
321.10510	6.5
337.08151	2.0
341.55725	0.8
355.09277	1.5
363.06744	2.5
367.09366	0.7
381.07950	12.8
409.03082	0.9
423.08401	1.0
543.13275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64129	0.5
69.73760	2.6
78.31071	0.5
92.64130	0.6
98.21480	1.1
114.25291	0.5
133.68228	0.5
146.00772	0.5
167.36151	0.5
205.29808	0.6
229.83466	0.6
331.65298	0.6
343.28745	0.7
363.07101	1.9
381.03525	0.5
381.07935	13.6
489.48016	0.5
543.13239	100.0
544.13403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95468	0.8
55.01859	1.9
55.05501	2.1
56.05030	1.6
60.04527	18.5
61.02932	2.2
67.05496	3.9
68.05035	1.9
69.03436	9.8
69.07066	1.6
70.06578	4.2
71.04992	7.3
71.56280	1.0
71.56673	1.1
72.04514	2.3
73.02918	1.9
74.06066	1.3
79.05481	3.7
80.05003	3.6
81.03414	3.6
81.07067	5.9
82.06617	1.3
84.04500	1.3
84.08146	1.1
85.02907	15.9
85.06534	1.4
86.06071	1.3
87.04474	1.3
90.05555	3.4
91.05492	5.0
93.07033	3.5
94.06583	3.3
95.08601	3.3
96.04503	2.2
97.02898	4.1
97.06544	2.6
98.06049	1.9
102.05563	1.2
105.07031	2.2
106.06596	1.2
107.08542	2.3
108.08162	0.9
109.02891	1.8
109.10188	1.1
110.06044	2.9
111.08114	1.0
114.05553	1.5
116.07073	1.2
119.04972	3.8
119.08597	1.4
120.08112	2.2
121.10163	2.0
122.06001	1.1
127.03945	2.7
127.58370	1.4
131.08578	1.6
132.06577	17.1
136.06143	1.0
136.07671	1.4
138.09152	1.0
145.10146	1.2
147.04398	15.7
148.04770	1.3
150.08995	1.0
166.07245	1.4
224.20049	1.3
232.16910	0.9
234.18425	1.0
237.02756	1.3
238.18102	0.9
248.20148	1.3
249.05205	0.9
260.20193	7.1
262.17996	1.0
262.21588	1.5
266.21283	1.6
272.20114	2.6
275.65335	0.9
278.21127	2.6
280.22791	0.9
284.22336	1.1
290.21219	7.6
293.85443	0.9
308.22238	4.6
326.23370	5.7
342.22653	1.4
344.24255	4.8
362.25339	9.7
378.25006	1.1
380.26416	50.3
505.32822	1.3
524.30054	6.5
542.31616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29657	0.5
53.03946	1.4
55.01868	1.2
55.05514	2.3
56.05048	1.4
57.03436	2.3
58.06595	1.0
60.04222	1.0
60.04531	20.3
61.02932	1.5
65.03934	0.7
67.05505	4.7
68.05031	1.9
69.03434	9.1
69.07085	1.4
69.47133	4.6
70.06591	2.6
71.04999	7.4
72.04524	2.6
73.02914	2.1
74.06097	0.9
79.05489	3.3
80.05037	4.6
81.03431	2.7
81.07067	5.4
82.06582	1.5
83.04974	0.8
83.08645	1.2
84.04507	2.0
84.08130	0.7
85.02906	13.8
86.06075	2.0
87.04485	1.7
90.05566	3.1
91.03943	0.6
91.05470	4.7
93.07057	3.4
94.06562	4.5
95.08614	3.4
96.04504	1.9
96.08146	1.2
97.02905	5.5
97.06542	3.4
98.06071	1.7
98.97594	1.0
99.04453	1.4
105.07030	1.3
106.06567	1.3
107.08595	1.2
108.08174	1.4
109.02884	2.2
109.10188	1.6
110.06055	2.2
112.30212	0.6
114.05560	1.9
116.07088	0.7
119.04926	4.1
119.08556	1.1
120.08134	1.6
121.10109	1.7
122.06049	1.3
124.07607	1.2
127.03915	2.1
130.98471	0.6
131.08598	0.9
132.06572	17.6
133.10141	1.1
134.09694	1.0
138.09177	0.7
145.04936	0.9
145.10126	1.0
146.32556	0.8
147.04422	14.3
147.11716	0.7
148.04784	2.2
150.09192	0.8
166.70403	0.6
166.72101	0.6
177.41124	0.6
190.16098	0.7
211.16931	1.8
224.20143	1.7
234.18541	1.1
237.18573	1.5
238.21729	0.8
248.20294	1.1
250.21591	0.7
252.19627	0.9
256.19287	0.7
260.20166	8.0
262.21771	2.3
266.21317	2.9
268.22766	0.7
272.20120	3.8
278.21198	2.1
280.22742	0.9
284.22180	0.8
290.21170	7.3
296.22095	1.4
308.22214	4.6
326.23212	6.6
344.24200	3.5
356.68164	0.7
362.25348	9.6
378.24979	1.1
379.25085	1.5
380.26447	51.2
506.28925	0.9
524.30530	4.7
542.31683	100.0
543.31952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
57.03428	0.5
67.05513	2.7
69.03407	0.6
69.07061	1.1
70.18469	1.6
79.05490	1.1
81.03412	1.2
81.07052	2.0
83.08604	0.7
85.02900	1.5
85.06519	0.6
91.03914	0.6
91.05452	1.4
93.07021	1.6
95.08613	1.1
97.06512	0.5
97.10129	0.6
98.21478	0.7
105.07011	2.1
107.08585	1.4
109.10166	1.9
110.10509	0.5
117.07049	0.6
119.03559	0.5
119.08620	0.9
120.08115	0.5
122.09669	0.7
131.08598	0.8
136.06175	2.2
145.10210	0.5
160.06065	0.6
172.06183	0.7
173.06976	1.7
173.13142	0.5
174.07750	1.1
186.07759	4.5
187.08517	2.0
198.07797	1.2
199.09926	1.0
200.09253	0.6
210.07779	4.2
211.08519	1.1
212.09317	20.9
213.10071	0.7
224.09293	3.1
225.10077	1.6
226.10878	6.1
228.12546	0.7
238.10934	2.0
240.12439	11.8
242.13800	0.5
242.43822	0.4
252.12485	1.7
254.14081	1.1
266.13998	1.9
268.15512	1.1
280.15585	1.7
282.17117	0.8
287.23383	0.5
294.17041	0.6
296.18741	1.5
308.18689	0.4
324.18338	2.1
350.19388	0.6
350.23376	0.7
364.24960	7.4
365.00906	0.5
392.24451	73.7
410.25519	100.0
411.25696	0.8
423.48788	0.4
542.29706	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	542.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
56.96566	1.8
57.03426	0.3
59.57003	0.3
63.23265	0.3
69.03432	0.7
70.06594	0.5
70.33719	1.1
72.61716	0.3
73.42886	0.3
79.05481	0.7
85.02902	1.0
91.05495	2.0
93.07043	1.3
97.02870	0.7
98.97598	0.6
103.05464	6.0
107.04952	2.6
109.02903	0.4
116.98623	0.4
119.04951	2.6
120.08102	100.0
121.08399	0.3
127.03926	0.6
131.04921	2.6
135.04382	0.6
136.06189	1.7
137.05972	1.1
143.00130	0.5
145.04907	0.5
146.12663	0.3
147.04404	6.7
148.04736	0.5
149.05971	2.0
151.07524	0.3
160.62007	0.3
161.01233	0.3
166.08635	53.9
167.07039	1.2
169.41034	0.3
177.05510	0.3
179.07010	2.1
219.01767	0.4
222.04329	0.6
225.46342	0.3
228.17195	0.3
237.02786	0.5
239.02248	0.7
240.05264	0.5
281.95239	0.3
307.04703	0.4
345.89734	0.3
368.08026	0.6
372.10608	0.3
447.65674	0.3
455.63895	0.3
524.11981	0.5
542.13135	0.6
549.32196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58612	0.7
53.03950	0.9
55.01868	2.0
58.94499	0.8
64.42586	0.7
70.06580	1.4
70.95799	1.2
70.96149	1.1
75.04492	1.1
79.05482	4.3
81.07040	0.9
85.02933	0.8
86.09694	1.2
90.04693	0.7
90.78326	0.7
91.05486	6.5
93.03404	2.0
93.07021	1.1
93.98711	0.7
95.04977	1.0
103.05494	4.6
105.03397	0.8
105.07030	17.0
106.03564	0.7
106.04173	4.5
107.04951	3.0
109.06521	1.1
115.05419	1.0
118.04167	6.4
119.04939	3.6
120.05730	0.8
121.06502	5.9
122.07256	1.3
123.08072	1.5
124.05232	1.2
125.05968	2.0
131.04942	1.8
132.05699	1.1
133.06500	18.4
134.03586	0.8
134.07300	1.0
135.04414	1.7
135.08067	2.7
137.05997	5.6
146.03613	1.2
147.04379	0.9
148.05200	1.4
149.05968	9.1
150.06766	11.0
151.07529	3.1
153.09128	2.3
161.05988	4.0
162.01305	0.8
163.03908	1.8
163.07579	1.3
163.11237	0.7
165.09131	11.9
167.07051	10.0
170.81232	0.7
175.44243	0.7
177.05495	4.7
178.06244	1.4
179.07018	2.2
181.08629	5.2
191.06978	1.7
193.08615	53.1
195.06445	0.7
209.06108	0.7
209.08101	30.3
211.09660	100.0
223.04222	7.9
239.85489	0.8
250.49751	0.8
272.72183	0.7
295.65274	0.8
312.08975	1.1
343.01199	1.0
361.02338	7.3
371.14658	1.0
379.03207	1.4
494.95108	0.9
542.25787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	1.9
57.03439	0.9
60.04527	0.5
65.03949	0.7
67.05499	0.9
69.03432	0.5
70.06580	2.0
71.08050	1.0
72.08154	0.9
75.04466	1.1
77.03949	0.8
78.04691	0.6
79.05491	5.0
81.07079	0.6
84.08130	0.5
85.02895	1.8
86.09698	1.6
89.03952	0.6
91.05486	7.5
93.03400	2.5
93.07040	1.2
95.04955	1.7
97.06513	1.1
103.05470	6.2
105.07034	17.6
106.04180	4.5
107.04955	3.7
108.05727	1.6
109.06515	1.3
115.05473	1.7
118.04169	6.7
118.98114	0.5
119.04957	3.2
120.05725	1.1
120.08082	0.9
121.06515	6.9
122.03664	1.2
122.07263	1.6
123.04375	0.8
123.08052	2.2
124.05230	1.1
125.06006	2.0
129.10249	0.6
131.04953	3.3
132.05710	1.1
133.06500	21.0
134.03606	1.0
134.07245	1.1
135.04431	2.8
135.08064	4.2
137.05983	19.6
139.07533	0.6
140.87675	0.5
146.03647	0.8
147.04422	1.2
148.05159	1.4
149.05994	12.0
150.06767	11.9
151.07561	5.8
153.05519	1.1
153.09161	2.4
159.04387	0.7
161.06006	3.4
162.01312	0.6
163.03922	1.5
163.07527	5.0
165.09117	13.8
167.07042	13.7
175.07594	0.6
177.05486	6.5
178.06274	1.6
179.07021	1.4
179.20160	0.5
181.08635	5.1
184.07404	0.5
190.00882	0.9
191.07065	1.7
193.08615	59.8
195.06546	0.8
197.11559	0.6
203.10667	0.6
209.08104	34.0
211.09662	100.0
223.04247	8.2
295.13263	1.4
312.08975	1.3
327.15997	3.0
344.63116	0.5
345.17087	0.6
542.31873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14807	0.7
53.03938	1.6
55.01876	4.4
55.05513	4.7
56.05029	1.5
57.03417	2.8
57.57611	0.7
60.04528	30.5
61.02921	2.5
67.05508	5.0
68.05016	2.3
69.03429	10.9
69.30061	1.6
69.30468	4.2
70.06573	1.7
71.05001	5.9
72.04514	2.3
73.02905	3.0
74.06110	0.7
79.05496	4.4
80.05037	3.5
81.03418	4.7
81.07061	4.6
82.06566	1.4
83.04974	1.9
84.04511	2.2
84.91856	0.8
85.02422	1.3
85.02906	17.0
85.06546	2.3
86.06052	1.1
87.04462	2.4
90.05554	3.0
91.03960	0.9
91.05490	5.8
93.07036	4.8
93.94963	0.6
94.06560	2.7
95.04964	1.4
95.08617	3.3
96.04488	2.1
96.08105	1.5
96.84164	0.6
97.02893	5.5
97.06535	6.4
98.06078	3.3
99.04463	1.9
101.06027	1.6
102.05529	1.2
105.07036	3.2
106.06541	3.5
107.08591	2.3
108.08185	0.7
109.02876	2.2
109.06530	1.5
109.10194	1.3
110.06049	4.5
111.08083	7.5
114.05589	1.5
116.07063	0.7
117.07056	1.6
119.08590	3.8
120.08121	2.9
121.10152	2.4
122.06020	2.3
122.09670	1.1
123.08087	1.5
123.11778	1.1
124.07616	1.2
127.03928	4.0
131.08603	4.3
132.06566	16.5
132.08086	1.4
133.10156	1.8
134.09674	1.3
135.11725	1.1
136.07610	2.2
137.09651	1.7
138.09105	0.8
140.07098	1.6
142.08630	1.6
143.08609	0.9
145.10146	2.2
146.09624	1.4
147.04385	0.9
147.11717	1.8
148.07541	0.8
149.09546	0.7
150.09152	1.3
154.08644	0.7
157.10107	1.1
158.08141	3.2
161.09680	0.7
161.13364	1.0
165.12817	1.3
169.10223	1.1
171.11720	0.6
172.11177	1.1
173.13206	1.6
174.97435	0.7
185.13274	0.9
189.12602	0.8
190.12312	1.0
197.15369	0.6
203.14279	0.8
209.15369	1.1
258.18546	3.5
260.16449	0.7
260.20416	1.0
264.19684	1.8
268.19327	0.8
270.18533	2.4
276.19693	3.1
278.21164	0.6
282.20511	0.9
288.19574	7.3
305.19727	0.8
306.20660	7.1
324.21750	10.1
342.22736	27.2
360.19263	1.6
360.23779	33.3
378.24844	28.1
425.83774	0.8
450.40103	0.8
456.65775	0.8
504.27985	3.2
522.29077	41.7
540.30127	100.0
541.30524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01866	3.4
55.05507	1.2
56.05030	1.0
57.03438	1.4
60.04529	22.7
61.02924	1.8
62.70890	0.5
67.05205	0.6
67.05510	5.0
68.05035	1.6
69.03084	0.7
69.03434	9.9
70.02950	0.7
70.06585	1.2
70.53556	1.4
71.04999	8.0
72.04516	1.8
73.02910	2.2
74.06054	0.6
79.05489	4.6
80.05014	3.4
81.03422	3.0
81.07070	3.7
82.06580	0.9
83.05014	0.8
84.04503	1.5
85.02908	15.2
85.06541	0.9
86.06062	1.2
87.04484	2.4
90.05572	2.1
91.05488	3.9
93.07053	4.5
94.06563	2.8
95.05029	1.1
95.08614	3.9
96.04484	2.4
96.08160	1.2
97.02905	5.5
97.06540	14.6
98.06080	2.4
99.04455	1.2
102.05539	1.1
105.07042	2.8
106.06576	1.8
107.08600	3.1
108.08138	0.9
109.02878	1.8
109.06548	0.7
109.10159	1.3
110.06055	3.4
111.08091	1.6
112.07634	0.7
114.05508	1.2
116.07101	0.8
117.07015	1.9
118.06544	0.6
119.08574	2.8
120.08122	2.3
121.06546	0.6
121.10161	1.7
122.06051	1.2
123.08071	1.5
124.07601	1.4
126.05437	0.6
127.03917	2.7
128.07068	0.6
130.05037	0.6
131.08554	2.8
132.06567	14.4
132.08081	1.0
133.10136	2.1
134.09631	0.8
135.11703	1.0
136.07568	2.9
136.11278	0.5
137.09641	1.6
138.09135	0.9
140.07040	1.4
142.08649	1.2
143.08540	0.8
145.04967	0.7
145.10152	2.2
146.08098	0.6
147.11696	1.2
148.07626	1.1
149.13187	0.5
150.09135	1.0
151.11166	0.5
154.08702	0.6
157.10144	0.7
158.08176	2.1
159.11674	0.7
161.13301	0.6
162.09067	1.3
172.09700	0.6
173.13286	1.3
175.14964	0.7
175.58414	0.6
180.10237	0.6
184.11169	0.5
188.14343	0.7
191.14319	0.9
198.11273	0.6
202.10710	1.0
203.14386	0.6
204.13841	0.5
220.17110	0.6
229.15842	0.6
238.18112	1.0
246.18625	0.6
247.16972	0.9
258.18622	2.2
260.20218	1.0
264.19601	1.5
268.19180	1.0
270.18585	2.3
276.19650	2.1
281.17166	0.5
282.20721	0.8
288.19620	6.2
294.20618	1.1
296.52713	0.5
306.20578	7.5
306.23456	0.6
324.21671	9.3
342.22787	22.6
360.23822	18.9
378.24875	29.7
384.23914	0.8
504.27914	1.7
522.29077	12.2
540.30182	100.0
541.31061	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	540.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64746	0.9
55.01873	2.3
55.05507	2.3
56.05033	2.2
57.03444	4.3
57.67910	1.0
58.16930	0.7
60.04214	1.2
60.04528	21.4
67.05508	4.8
68.05029	3.1
69.03436	6.8
69.07064	1.4
69.49883	6.2
70.06594	2.0
71.01350	1.0
71.04992	4.1
72.04518	2.6
73.02924	2.4
79.05510	5.7
79.71862	1.0
80.05031	7.0
81.03406	2.4
81.07049	5.1
82.06591	3.7
83.04995	1.2
84.04524	1.0
84.08157	1.2
85.02919	6.8
86.06073	1.3
87.04486	1.8
90.05547	3.2
91.05490	3.3
93.07039	4.6
94.06584	7.4
95.08630	4.3
96.04501	1.6
96.08129	1.5
97.02896	18.2
97.06542	6.1
98.06058	2.1
101.02380	1.2
105.07032	2.8
106.06573	1.3
107.08595	1.8
108.08111	1.7
109.10188	1.6
110.06071	2.6
111.08112	1.7
113.02377	1.6
114.05534	1.6
115.03945	2.7
116.07072	1.1
119.08575	1.7
120.08147	1.3
121.10152	1.9
122.06041	1.7
124.07606	0.8
132.06564	19.9
133.10107	1.2
134.09653	1.4
135.11736	1.9
143.03368	1.6
145.10133	1.4
148.11211	1.0
150.09114	1.0
158.56531	0.8
179.14267	0.9
193.67003	0.9
206.15448	1.1
224.20197	2.8
236.20203	1.6
237.18533	2.8
238.21640	0.9
244.20403	0.9
248.20146	2.9
254.21190	2.7
260.20105	8.3
262.21649	4.9
266.21243	3.8
272.20099	5.8
274.21704	2.6
278.21237	3.7
289.48047	0.8
290.21164	13.5
292.22665	3.2
300.21866	1.2
308.22330	6.0
310.23749	1.1
313.11395	1.0
326.23257	13.9
328.24857	13.4
344.24329	13.0
346.25888	16.4
354.22559	0.8
362.25330	17.0
372.23746	1.8
386.25073	1.3
504.28162	10.6
522.29138	100.0
523.28998	1.1
540.30176	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05506	1.9
56.05027	1.6
57.03437	2.1
60.04528	22.0
61.02923	0.7
62.94690	0.5
67.05499	4.3
68.05027	2.4
69.03436	8.5
69.07052	1.7
69.36121	2.2
69.36543	2.2
70.06577	1.6
71.04991	2.1
72.04515	1.8
73.02910	1.7
74.06046	0.6
78.62056	0.5
79.05493	3.2
80.05016	6.8
81.03413	1.5
81.07047	4.1
82.06576	2.0
83.04961	1.6
83.08599	0.6
84.04496	1.0
85.02903	5.5
85.06541	0.8
86.06026	1.2
87.04469	1.6
90.05547	4.4
91.05487	2.1
93.07027	3.3
93.52164	0.5
94.06565	3.9
95.05009	0.9
95.08607	2.7
96.04496	2.9
96.05025	0.5
96.08129	1.1
97.02285	1.1
97.02894	17.8
97.06533	5.2
98.06062	2.6
100.07615	0.7
101.02358	1.4
105.07043	0.8
106.06551	1.3
107.08614	1.8
108.08105	0.9
109.10157	1.4
110.06037	2.4
111.08067	1.6
112.27826	0.6
113.02367	0.9
114.05547	1.7
115.03938	1.8
116.07064	0.9
117.07036	0.6
119.08607	1.2
120.08146	1.2
121.10149	1.4
122.06065	1.4
123.08133	0.7
124.07633	0.7
124.11312	0.6
131.08580	0.7
132.06567	19.1
133.10146	0.8
134.09679	0.6
134.75583	0.5
136.07574	0.7
142.08542	0.6
143.03459	0.8
145.10117	0.8
148.11258	0.6
161.04468	0.7
165.12852	0.6
168.13788	0.5
168.92014	0.5
172.41251	0.6
204.13712	0.6
206.15373	0.8
211.16910	2.0
218.15359	0.6
220.16930	0.6
222.18642	0.6
224.20009	2.6
232.16919	0.5
237.18518	3.3
238.21674	1.1
248.20016	2.8
250.21579	0.6
252.19574	0.8
260.20111	11.4
260.22681	1.0
262.18384	0.8
262.21710	3.4
266.21075	5.0
272.20135	7.4
274.62241	0.6
278.21155	3.6
280.22684	0.7
290.21158	17.2
308.22208	9.8
326.23221	13.7
344.24298	14.5
354.22482	0.6
362.25360	18.3
372.23831	2.3
390.24649	0.8
404.26740	1.2
486.27048	1.0
504.28131	7.5
522.29095	100.0
523.29529	1.5
540.30176	42.1
541.30023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	1.6
55.05508	1.4
56.05027	1.3
56.43169	0.5
57.03442	2.4
60.04527	16.8
61.02925	2.4
67.05514	2.4
68.05033	2.3
69.03435	9.7
69.07072	1.1
69.75721	2.2
70.06587	1.0
71.04994	4.8
72.04520	1.2
73.02921	2.5
74.06087	0.6
77.29765	0.5
77.90810	0.5
79.05503	3.2
80.05018	4.4
81.03412	4.3
81.07057	3.7
82.06577	2.0
82.67297	0.5
83.05016	0.8
84.04494	1.2
85.02907	12.9
85.06529	0.6
86.06078	2.0
87.04463	2.2
90.05560	2.9
91.03959	0.9
91.05467	2.7
93.05818	0.8
93.07044	2.9
94.06562	3.8
95.04972	0.9
95.08618	2.5
96.04519	1.0
96.08146	1.1
97.02898	6.0
97.06536	5.0
98.06058	1.7
99.04453	1.6
102.05537	1.1
105.07053	1.7
106.06615	1.0
107.07379	0.6
107.08598	1.7
108.08131	0.8
109.02868	1.4
109.06538	0.4
109.10182	0.5
110.06066	2.6
110.09723	0.5
111.08078	1.1
112.07581	0.4
114.05548	1.1
115.77410	0.5
117.06999	1.1
119.08579	1.6
120.08096	1.2
121.06541	0.8
121.10161	1.0
122.06066	1.1
123.08048	0.6
124.07586	0.7
127.03910	2.8
131.08591	1.2
132.06567	16.6
132.08069	0.6
133.10100	1.2
134.09682	1.1
135.11725	0.6
136.11270	0.6
143.08710	0.5
145.05005	0.9
145.06470	0.4
145.10118	1.2
147.04399	0.8
148.11263	0.7
159.11745	0.8
161.09630	0.5
161.56798	0.4
190.15822	0.5
204.13986	0.8
206.15474	0.6
218.15372	0.5
220.16978	0.6
222.18672	1.6
230.78342	0.5
234.09993	0.5
240.19592	0.8
246.18651	2.4
254.21263	0.7
258.18494	6.1
260.20090	1.6
264.19543	2.7
268.10822	0.5
268.19135	0.9
270.18585	2.2
276.19586	7.7
278.21039	1.1
282.20697	5.3
286.19968	0.6
288.19608	8.3
294.20831	1.3
306.20715	5.9
324.21671	7.2
342.22742	11.7
360.23816	19.7
378.24875	28.1
390.18063	0.5
504.27933	0.8
522.29016	6.5
540.30182	100.0
541.30566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.96571	0.7
57.03434	0.9
60.04522	0.7
61.02922	0.9
63.35717	0.6
67.05495	0.7
69.03416	1.5
69.07072	0.7
69.45889	2.0
69.46319	1.7
70.06570	1.3
72.08140	0.8
73.02938	0.8
79.05492	1.4
81.03399	1.0
81.07053	1.3
84.08141	0.6
85.02926	3.0
86.09712	1.2
91.05483	4.2
93.07058	0.7
95.04979	0.7
95.08646	0.5
97.02877	1.4
97.06479	0.6
103.05473	8.5
105.07033	1.8
107.04945	1.6
107.08601	0.6
107.71426	0.4
109.06522	0.6
112.77144	0.6
115.05377	1.1
117.07026	2.3
119.04919	2.3
119.08620	0.7
120.08089	0.7
121.06502	1.5
122.03636	2.1
123.08060	1.2
128.06195	1.0
129.06982	1.2
131.04936	15.6
133.06461	0.6
135.08031	1.5
135.67888	0.5
137.05984	26.9
138.06296	0.8
143.08539	0.7
145.06517	1.0
147.04413	1.6
149.05989	0.8
151.03935	0.6
151.07558	13.4
155.15263	0.5
157.06512	1.5
161.05980	4.1
162.06757	3.2
163.07553	40.4
165.06932	0.8
165.09106	0.7
167.08514	1.0
171.08078	0.8
174.06721	0.7
175.07555	5.5
177.09116	100.0
187.03496	0.6
189.09094	3.9
195.08099	2.1
195.10168	2.4
203.10735	1.0
209.09692	1.0
212.08856	0.5
219.02097	0.6
221.05937	1.4
221.09706	1.3
221.11714	18.4
223.07535	0.9
225.09145	0.7
227.10641	3.4
231.08116	0.7
231.15941	0.5
234.36183	0.6
249.09169	0.9
253.08601	1.1
253.12253	1.6
255.10233	3.3
265.08749	0.9
267.10202	0.9
278.09500	0.9
285.11270	2.5
287.12781	5.1
299.12628	0.6
311.12820	3.3
313.14352	4.9
331.15433	15.9
343.15466	2.4
501.72897	0.6
522.28955	1.5
540.23004	0.7
540.29999	0.7
559.14288	0.6
561.16754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40644	0.2
53.03955	0.3
55.01876	0.7
55.05512	0.7
57.03437	0.8
57.07077	2.5
59.05004	0.4
61.02936	0.2
67.05516	1.3
68.50721	0.2
69.03437	1.5
69.07069	0.9
70.06615	0.2
71.05003	0.4
71.08633	1.9
71.57330	0.2
73.02928	1.8
79.05476	0.4
81.03420	1.2
81.07069	1.8
83.04991	0.6
83.08633	1.3
85.02920	1.0
85.10184	1.5
91.05492	0.2
93.07064	0.5
95.04990	0.3
95.08608	1.8
97.02894	0.6
97.10186	0.8
99.04479	0.7
107.08599	0.2
109.02885	2.1
109.10154	1.0
110.03692	0.6
111.04449	2.5
116.07122	0.2
123.11718	0.4
123.86293	0.2
127.03912	1.5
132.99570	0.8
137.13271	0.3
138.08054	0.2
143.08296	0.2
172.99095	0.4
180.13867	0.2
185.04279	0.3
191.00027	1.1
209.01186	0.3
209.11758	0.6
227.12730	0.2
239.23695	3.5
257.24704	0.5
270.31268	0.3
277.37631	0.2
281.11536	0.7
313.27390	2.2
451.08139	0.2
539.32013	100.0
540.32324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36250	2.6
51.22349	2.2
53.03940	4.4
55.01878	15.5
55.05517	12.7
56.03582	2.2
57.03449	12.3
57.07077	52.8
61.02921	4.9
66.74387	2.3
67.05506	25.6
69.03433	39.7
69.07066	13.6
69.99230	2.4
71.04988	6.4
71.08636	40.2
71.57888	3.5
72.08121	3.2
72.95994	2.3
73.02924	43.7
79.05479	6.8
81.03433	22.1
81.07063	30.1
83.04973	9.0
83.08627	21.8
85.02903	28.2
85.10190	24.1
91.05500	5.0
93.07037	6.0
95.08055	3.7
95.08616	41.0
97.02908	11.7
97.10155	10.3
97.86818	2.2
99.04460	16.3
107.08581	5.3
109.02891	52.3
109.10167	20.8
110.03658	7.9
111.04453	43.0
111.11700	3.2
114.08279	2.6
115.03970	3.0
116.07066	3.7
121.10102	3.5
123.11703	8.7
125.13284	4.2
127.03938	26.5
132.99557	18.6
135.11589	2.8
137.13242	8.3
151.00562	4.2
157.01712	3.1
167.00114	3.1
172.99007	5.7
191.00096	22.4
194.98801	3.0
209.01167	8.1
209.11636	3.9
211.27490	2.5
221.22697	4.7
230.11063	2.6
239.23708	80.1
257.24783	9.6
265.03827	5.1
281.11429	3.8
313.27374	42.1
355.28412	5.8
517.63892	2.8
539.30377	100.0
539.39825	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	538.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01870	4.7
55.05516	33.9
57.03437	7.1
57.07070	2.9
67.05510	97.8
69.07079	36.7
69.98100	12.7
71.04996	4.7
78.88065	2.6
79.05497	60.3
81.03423	3.4
81.07063	100.0
83.04987	8.6
83.08623	19.6
85.06540	7.1
91.05487	77.7
93.07053	68.1
95.00833	2.4
95.01528	2.5
95.04995	8.9
95.08613	83.8
97.06546	12.6
97.10194	18.1
99.08095	4.4
103.05477	2.7
105.07038	65.5
107.04928	2.5
107.08599	51.6
109.06510	12.2
109.10175	53.3
111.08076	6.1
114.98803	2.4
117.07040	27.3
118.07883	2.6
119.08590	80.7
121.10171	32.6
123.08073	32.4
123.11695	8.1
125.09654	16.4
129.07001	8.3
131.08568	35.7
133.10136	44.2
135.08075	8.8
135.11719	23.4
137.09647	13.2
139.11192	3.2
141.06946	4.8
143.08568	9.7
145.10130	39.8
147.08134	2.7
147.11693	35.3
149.09653	10.0
149.13280	12.1
153.09161	2.9
155.08549	7.3
155.10678	5.5
157.10168	9.2
159.11705	38.0
161.13264	29.0
163.11223	7.4
164.82083	2.6
169.10124	6.2
171.11754	10.0
173.11765	12.6
173.13284	20.9
175.11177	4.0
175.14886	9.8
177.12747	7.1
179.14294	3.3
183.11725	5.4
185.13255	12.2
187.13373	6.0
187.14827	10.4
189.12793	3.7
189.16435	4.8
191.14357	2.9
195.13853	7.5
197.13254	6.2
199.14821	11.8
201.16473	12.7
203.12790	13.9
205.15941	2.8
209.15417	3.4
211.14833	8.5
215.14297	2.7
217.15927	4.3
219.17436	5.6
221.15363	8.5
225.16621	3.3
233.15331	3.4
235.17006	9.0
237.18501	4.1
251.20114	5.3
253.18097	15.0
259.63358	3.0
265.17993	37.8
267.21237	7.3
272.61899	2.4
273.18607	4.0
275.23682	3.6
277.21579	3.7
283.26465	3.4
285.22147	41.2
291.23218	16.1
303.23209	48.7
317.24768	62.0
335.25909	12.7
381.27469	2.8
393.26337	4.4
403.29904	3.8
421.30945	7.6
433.29755	3.2
439.32150	6.2
445.32938	4.4
457.32990	4.5
459.34586	3.8
471.34927	18.5
485.36063	4.4
489.35721	19.0
491.37537	8.0
503.37350	39.8
521.38489	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	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01877	3.2
55.05503	1.9
56.05038	1.4
57.01752	0.5
57.03431	2.1
60.04528	27.5
61.02916	1.8
65.03940	0.7
67.05506	8.7
67.41736	0.6
68.05025	1.7
69.03429	9.8
69.07050	0.9
70.02964	0.9
70.06598	0.9
70.33662	1.0
70.34034	1.3
71.04993	6.3
72.04506	1.8
73.02934	3.1
79.05498	7.1
80.05019	3.9
81.03428	3.3
81.07050	4.8
82.06577	1.2
83.04978	1.2
84.04506	2.1
85.02424	0.9
85.02911	11.3
85.03429	0.9
85.06544	0.9
86.06071	1.1
87.04479	7.5
90.05554	4.2
91.03922	0.9
91.05471	4.4
92.04980	0.7
93.07049	5.0
94.06574	3.5
95.04976	2.0
95.08609	2.3
96.04478	3.3
96.08099	0.8
97.02892	6.9
97.06532	7.2
98.06058	2.1
98.20808	0.7
99.04499	0.8
101.02396	1.0
101.06065	0.8
102.05556	1.3
105.07021	3.7
106.06554	7.5
107.04976	1.2
107.08613	2.5
108.08131	1.3
109.02935	0.8
109.06534	0.8
109.10167	2.2
110.06050	2.4
111.08089	3.8
112.07577	0.9
113.02365	1.3
114.05537	1.6
115.03997	0.7
117.07030	2.1
118.06548	2.0
119.08591	2.7
120.08099	6.0
121.06516	0.8
121.10162	2.3
122.06049	3.7
123.08097	1.5
124.07576	2.7
125.09692	0.9
127.03923	2.0
128.07065	0.8
129.07011	0.7
131.08559	2.8
132.06567	12.4
132.08118	2.3
133.06511	0.7
133.10135	1.6
134.09676	2.2
135.08080	1.0
135.11679	1.3
136.07585	9.4
137.09634	1.6
138.09105	1.0
140.07088	0.9
142.08630	0.9
143.08560	1.2
145.04904	0.8
145.10141	1.5
146.09755	0.6
147.11678	1.2
148.07584	2.6
150.09149	4.6
152.10730	0.8
153.09088	0.9
154.08650	2.8
157.10135	0.9
158.08156	1.9
158.09644	1.1
159.11716	1.7
160.07607	0.8
161.13255	1.1
162.07666	0.6
162.09172	1.0
163.11226	2.7
166.08624	3.1
171.11682	1.1
172.11034	0.6
173.13315	1.3
174.02805	0.8
174.52963	0.8
175.11223	0.6
175.14850	0.6
176.10704	0.8
177.12895	0.7
178.08638	2.8
180.10292	1.1
184.11284	0.9
185.13498	0.6
188.09180	1.2
188.14328	0.7
189.12770	1.2
190.12294	0.8
191.14320	0.7
194.94569	5.4
195.95004	1.6
195.97733	1.4
196.09642	1.0
203.54109	0.7
204.03986	1.1
204.54121	1.0
206.11565	0.6
214.10883	0.6
218.15492	1.0
218.91708	0.6
220.04660	0.9
220.16942	1.0
245.04964	0.6
254.97633	1.1
255.97902	1.8
258.18671	1.5
262.18097	1.4
264.19788	0.9
268.16974	1.6
270.18655	0.8
274.17960	4.0
276.19641	1.6
286.18018	4.6
288.19733	1.5
304.19095	6.0
306.20703	1.6
322.20169	9.8
324.21661	2.1
340.17065	0.7
340.21188	14.8
342.22757	3.7
358.22247	18.8
360.23822	2.6
367.48294	0.6
376.23297	23.9
378.25003	2.6
384.24023	0.6
484.58990	0.6
502.26382	2.5
505.02084	0.6
520.27533	41.8
538.28583	100.0
560.55334	0.6
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
53.03927	1.1
55.01879	4.2
55.05510	1.8
56.05024	1.0
57.03438	2.2
60.04527	29.6
61.02919	1.7
67.05505	9.4
68.05023	1.5
69.03435	9.6
69.64732	4.7
70.02943	0.8
70.96861	0.7
71.04996	7.8
72.04511	2.3
73.02929	1.1
77.63869	0.8
77.83767	0.8
79.05492	7.3
79.22310	0.9
80.05025	3.8
81.03423	4.5
81.07036	4.7
82.06579	0.8
83.05005	2.3
84.04472	1.5
85.02905	13.2
86.06091	0.7
87.04463	8.6
90.05546	5.6
91.03977	0.8
91.05481	4.6
93.07056	4.2
94.06580	4.1
95.04973	1.6
95.08622	1.9
96.04503	3.3
96.08136	1.1
97.02893	5.9
97.06527	6.0
98.06073	1.1
99.04440	1.4
104.09496	0.8
105.07044	4.4
106.06563	9.0
107.04956	1.2
107.08594	3.2
108.08119	1.8
109.02888	2.2
109.06507	1.3
109.10162	3.5
110.06049	2.6
111.08103	5.0
117.07029	2.5
118.06544	3.2
119.08578	2.3
120.08113	7.2
121.10171	1.8
122.06000	4.0
122.09697	1.5
123.08086	2.5
124.07590	2.7
127.03919	2.5
129.06960	1.1
131.08571	2.2
132.06561	12.3
132.08141	3.0
133.10139	2.1
134.09679	2.3
135.08058	1.6
135.11662	1.0
136.07578	11.5
137.09644	1.3
138.09187	2.0
142.97893	1.0
143.08563	1.4
145.10159	1.6
146.08080	0.8
147.11755	1.5
148.07552	4.6
150.09132	5.6
153.09111	0.8
154.08655	4.2
158.08104	1.0
159.11644	1.3
160.07674	0.9
160.11299	1.0
161.13345	1.7
163.11206	4.2
163.75400	0.9
166.08670	4.7
168.10304	0.8
171.11678	1.2
173.13226	1.6
176.10854	1.5
177.12746	1.2
178.08633	3.7
184.09711	0.9
185.13335	1.4
188.14471	0.9
189.12843	1.5
190.12157	1.1
196.09727	2.6
203.14299	1.3
204.13763	0.8
220.13416	1.0
236.16566	0.8
241.23984	0.8
256.17056	2.4
262.18137	2.3
268.16852	1.3
270.17136	1.1
274.18094	4.7
286.18039	7.4
292.19058	1.3
304.19016	8.4
322.20096	12.8
335.76541	0.9
340.21216	26.6
358.22253	29.9
358.26614	1.8
369.54074	0.9
376.23315	34.8
413.79764	0.9
474.00232	0.8
502.26352	1.8
512.46075	0.8
520.27563	44.4
538.28632	100.0
539.28979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
55.05510	1.3
56.05036	7.5
58.59016	0.9
60.04513	2.7
61.01153	3.3
61.02924	2.5
64.23609	0.9
67.05512	2.4
69.03415	6.6
69.07066	3.1
70.06589	3.7
71.04971	1.6
71.57118	0.9
72.08176	1.7
73.02922	1.7
75.85248	1.1
79.05494	3.7
80.05012	0.9
81.03412	3.4
81.07058	3.5
82.06607	1.3
82.36650	0.9
83.06094	1.0
84.04507	2.0
84.08124	1.7
85.02908	14.5
86.09711	7.2
87.04469	1.4
91.05474	7.3
93.07051	5.3
94.04193	2.7
94.06585	2.1
95.04960	2.0
95.08580	2.1
96.08118	1.3
97.02896	6.0
99.04493	1.5
101.07169	1.1
103.05460	8.9
103.45072	0.8
104.05335	18.3
105.07036	5.9
107.04939	2.1
107.08583	3.3
108.08146	2.0
109.02869	2.2
109.06504	1.9
109.10131	1.5
110.09717	4.3
111.69507	1.0
115.05460	3.1
117.07023	2.0
119.08585	6.4
120.08148	5.4
121.06472	1.1
121.10079	2.0
122.03685	4.4
124.07655	1.4
127.03927	2.5
128.06218	1.6
129.06996	3.9
130.06415	1.0
131.04933	14.9
131.08595	1.2
132.05711	4.2
133.06509	3.0
133.10115	1.7
135.11700	3.9
136.07564	1.5
137.05983	100.0
138.09143	4.3
139.07550	1.1
145.04968	1.8
145.06490	2.0
145.10118	1.2
146.03671	1.3
147.04442	1.6
147.08046	6.8
147.11754	1.2
149.06113	1.7
149.07466	6.7
149.13235	1.5
151.07603	0.9
152.07042	2.5
157.06444	1.4
159.08072	1.2
159.09229	2.9
160.05217	3.5
161.05995	12.1
163.07545	30.1
166.08649	9.1
170.08122	1.0
172.03955	6.5
175.07558	92.0
187.07558	6.5
189.09056	1.3
190.05005	1.7
191.08617	4.7
193.08643	7.2
199.07535	6.1
201.09067	1.9
201.16391	1.1
202.07587	1.3
203.08566	3.1
204.06563	9.0
216.09792	0.9
218.07253	1.3
219.08035	5.4
219.17400	1.3
220.08728	1.1
231.07977	3.0
232.08723	1.1
237.10210	1.2
237.18535	2.5
243.07990	2.5
247.07602	2.0
248.08260	2.2
251.10661	9.9
259.07513	2.7
260.08249	2.0
260.10669	13.3
263.10779	2.5
264.07819	1.3
265.09787	1.7
273.12363	0.9
276.08002	1.5
279.10110	9.3
279.17038	2.4
288.06015	1.8
291.10159	7.8
292.10907	2.0
309.11282	2.4
311.12778	33.5
323.12775	25.1
325.14578	7.5
328.24765	1.0
340.24969	1.4
341.10825	2.0
341.14090	2.7
353.11115	1.4
357.14517	1.8
358.25491	1.4
358.29434	2.4
373.18912	3.2
376.30432	2.4
388.26929	1.4
411.18436	1.2
478.19803	1.0
488.18130	1.4
506.19217	6.4
520.20258	1.2
538.22150	4.2
538.28479	1.9
538.35126	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	538.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
55.05510	1.3
56.05036	7.5
58.59016	0.9
60.04513	2.7
61.01153	3.3
61.02924	2.5
64.23609	0.9
67.05512	2.4
69.03415	6.6
69.07066	3.1
70.06589	3.7
71.04971	1.6
71.57118	0.9
72.08176	1.7
73.02922	1.7
75.85248	1.1
79.05494	3.7
80.05012	0.9
81.03412	3.4
81.07058	3.5
82.06607	1.3
82.36650	0.9
83.06094	1.0
84.04507	2.0
84.08124	1.7
85.02908	14.5
86.09711	7.2
87.04469	1.4
91.05474	7.3
93.07051	5.3
94.04193	2.7
94.06585	2.1
95.04960	2.0
95.08580	2.1
96.08118	1.3
97.02896	6.0
99.04493	1.5
101.07169	1.1
103.05460	8.9
103.45072	0.8
104.05335	18.3
105.07036	5.9
107.04939	2.1
107.08583	3.3
108.08146	2.0
109.02869	2.2
109.06504	1.9
109.10131	1.5
110.09717	4.3
111.69507	1.0
115.05460	3.1
117.07023	2.0
119.08585	6.4
120.08148	5.4
121.06472	1.1
121.10079	2.0
122.03685	4.4
124.07655	1.4
127.03927	2.5
128.06218	1.6
129.06996	3.9
130.06415	1.0
131.04933	14.9
131.08595	1.2
132.05711	4.2
133.06509	3.0
133.10115	1.7
135.11700	3.9
136.07564	1.5
137.05983	100.0
138.09143	4.3
139.07550	1.1
145.04968	1.8
145.06490	2.0
145.10118	1.2
146.03671	1.3
147.04442	1.6
147.08046	6.8
147.11754	1.2
149.06113	1.7
149.07466	6.7
149.13235	1.5
151.07603	0.9
152.07042	2.5
157.06444	1.4
159.08072	1.2
159.09229	2.9
160.05217	3.5
161.05995	12.1
163.07545	30.1
166.08649	9.1
170.08122	1.0
172.03955	6.5
175.07558	92.0
187.07558	6.5
189.09056	1.3
190.05005	1.7
191.08617	4.7
193.08643	7.2
199.07535	6.1
201.09067	1.9
201.16391	1.1
202.07587	1.3
203.08566	3.1
204.06563	9.0
216.09792	0.9
218.07253	1.3
219.08035	5.4
219.17400	1.3
220.08728	1.1
231.07977	3.0
232.08723	1.1
237.10210	1.2
237.18535	2.5
243.07990	2.5
247.07602	2.0
248.08260	2.2
251.10661	9.9
259.07513	2.7
260.08249	2.0
260.10669	13.3
263.10779	2.5
264.07819	1.3
265.09787	1.7
273.12363	0.9
276.08002	1.5
279.10110	9.3
279.17038	2.4
288.06015	1.8
291.10159	7.8
292.10907	2.0
309.11282	2.4
311.12778	33.5
323.12775	25.1
325.14578	7.5
328.24765	1.0
340.24969	1.4
341.10825	2.0
341.14090	2.7
353.11115	1.4
357.14517	1.8
358.25491	1.4
358.29434	2.4
373.18912	3.2
376.30432	2.4
388.26929	1.4
411.18436	1.2
478.19803	1.0
488.18130	1.4
506.19217	6.4
520.20258	1.2
538.22150	4.2
538.28479	1.9
538.35126	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.7
57.03413	7.4
67.05500	54.0
69.07060	17.0
71.57599	7.7
77.38241	5.5
79.05499	31.1
81.07061	52.0
83.04973	12.9
83.08612	13.8
85.06512	7.5
91.05460	42.6
91.43465	6.3
93.07053	43.7
95.04973	7.9
95.08598	20.7
97.06543	7.6
105.07030	34.9
107.08593	25.2
109.06516	6.7
109.10138	48.0
111.08099	15.6
117.07027	6.2
119.08560	13.1
122.38625	6.6
123.11732	10.0
131.08626	8.4
133.10153	65.5
135.11684	8.2
145.10077	11.7
147.11690	8.8
151.11218	47.3
171.11845	6.8
175.11012	7.3
179.10704	11.0
183.11661	7.6
183.13792	9.0
185.13257	8.0
299.06271	17.4
331.12473	6.9
331.22574	9.3
345.24326	8.7
469.32922	19.0
487.33978	8.5
501.35675	100.0
502.73260	7.4
536.33093	8.8
536.50830	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	536.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02613	0.4
53.03905	1.1
55.01814	2.2
55.05455	3.1
56.04970	1.3
57.03376	2.7
57.07021	0.6
58.06561	1.1
58.06833	0.4
59.04971	0.5
60.04464	7.1
60.04792	0.7
61.02871	2.0
65.03901	0.4
67.05436	6.5
68.04974	1.6
68.99751	0.8
69.03365	9.5
69.07001	3.2
69.22365	2.9
69.22781	1.6
70.06525	6.9
71.04991	5.9
72.04457	1.2
72.08102	0.7
73.02866	1.0
79.05492	5.1
80.05015	6.7
81.03416	5.3
81.07058	8.4
82.06593	3.7
83.04913	1.5
83.08630	2.3
84.04432	1.5
84.08081	1.7
85.02908	14.2
85.03385	0.6
85.06508	0.8
86.06030	0.9
86.09622	0.6
87.04401	1.8
90.05524	1.0
91.03912	0.9
91.05475	3.4
93.07045	5.0
94.06570	7.6
95.04894	1.7
95.08607	6.3
96.04462	0.5
96.08063	2.1
96.81094	0.4
97.02889	5.9
97.06536	9.0
97.10105	1.4
98.05974	1.4
98.09609	0.5
99.04394	1.4
101.02285	0.7
102.05495	0.5
105.07046	2.7
106.06494	0.8
107.04877	0.5
107.08600	3.7
108.08112	2.3
109.02892	2.2
109.06518	0.8
109.10168	4.2
110.05966	0.6
111.08015	1.3
116.07001	0.6
117.06934	0.6
119.08521	1.6
120.08102	2.2
121.10145	2.9
121.43249	0.4
122.09616	1.1
123.11710	0.8
127.03934	2.7
129.10159	0.5
131.08524	1.2
133.10043	1.7
135.04350	1.3
135.11613	1.4
136.04639	0.7
137.09566	0.6
145.04892	0.7
145.10027	1.3
147.04367	1.5
147.11642	1.3
148.11130	0.5
149.09581	0.7
149.13235	1.1
153.01810	5.7
154.02124	1.5
159.11586	0.8
161.02293	0.7
162.02626	0.6
166.15886	0.5
215.06999	0.6
222.18562	1.2
223.20287	0.5
223.70316	0.4
236.23755	1.6
237.22256	0.5
242.05286	0.8
246.22165	1.3
247.20575	1.4
250.21758	1.2
252.23224	1.8
254.24670	0.5
259.09744	0.6
260.20047	0.6
264.23230	51.9
266.24930	0.7
272.23709	1.7
274.25430	0.8
278.21146	1.1
282.24280	30.3
287.05508	65.0
288.05841	100.0
289.06131	2.1
290.24918	3.2
291.23383	0.7
292.26245	2.7
299.06052	0.6
300.25223	0.6
301.60513	0.6
302.24805	8.4
320.25854	11.7
327.26309	0.6
328.24960	1.5
338.23187	1.5
338.26828	7.1
346.25854	0.5
356.24240	8.3
356.27994	61.2
368.24396	0.8
374.29025	34.4
380.27914	0.5
386.25452	1.2
398.29037	1.1
412.23816	0.5
450.11182	2.2
500.32419	0.9
518.33307	39.8
519.33649	0.6
536.11786	5.5
536.34467	69.3
537.34680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.3
55.01807	1.7
55.02040	0.6
55.05449	2.7
56.04965	2.4
56.96500	0.6
57.03377	2.2
57.07032	0.5
58.06543	1.2
58.06800	0.5
59.04939	0.5
60.04459	7.1
61.02851	1.6
67.05435	6.3
68.04978	1.3
69.03356	8.4
69.06997	7.7
70.06520	10.2
70.27349	0.8
70.27750	1.1
71.04919	2.4
71.05286	0.9
72.04443	1.4
72.08090	1.4
73.02863	1.2
73.06503	1.0
74.06033	0.7
77.79608	0.5
79.05493	5.1
80.05017	8.3
80.05437	0.5
81.03417	3.7
81.07053	8.2
82.06576	4.1
83.04918	1.0
83.08544	1.6
84.04424	1.8
84.08064	2.4
85.02907	13.3
85.03371	0.9
85.06489	1.2
86.05999	1.2
86.09653	1.3
87.04398	1.4
90.05506	0.7
90.86526	0.5
91.03867	0.7
91.05483	3.7
93.07039	5.4
94.06570	9.2
95.04940	1.1
95.08619	6.0
96.08067	1.1
97.02889	6.3
97.06528	4.2
97.10169	0.5
98.05961	2.1
98.21509	0.5
99.04429	0.9
103.03908	0.5
105.07041	3.3
107.04914	0.5
107.08595	3.9
108.08076	0.8
108.48564	0.5
109.02794	1.7
109.06454	1.2
109.10106	1.2
110.09573	0.6
111.07993	1.2
116.07002	1.0
117.06936	0.8
119.04910	0.5
119.08486	2.0
120.08006	2.2
121.06470	0.8
121.10046	1.8
123.07981	0.8
125.09589	1.1
127.03944	2.5
127.04642	0.6
130.86380	0.5
131.08488	1.5
132.06525	1.1
133.10033	1.9
135.07985	1.0
135.11621	1.6
136.07538	0.5
137.05923	0.8
137.09555	0.7
145.04910	1.0
145.10057	1.2
146.08171	0.7
147.04347	1.3
147.11586	1.6
149.13300	0.6
159.11700	1.0
160.09026	0.5
161.69713	0.5
165.09058	0.6
175.14801	1.1
193.08463	0.9
194.15337	1.9
211.09569	1.8
212.16312	0.6
220.16960	1.0
222.18546	0.7
234.18501	1.2
250.18106	0.6
252.23128	1.7
260.20221	0.6
264.23230	13.5
282.24271	33.4
290.21301	0.8
290.24817	1.7
292.26297	0.7
299.06235	0.7
300.25333	9.6
302.24728	3.3
308.25711	1.1
310.27332	1.0
320.25851	10.0
328.24695	1.6
338.23331	0.8
338.26910	4.5
346.25693	0.7
356.24161	2.3
356.27985	8.5
368.24414	1.1
373.96704	0.6
374.29013	77.6
386.25522	1.2
394.22382	0.6
398.29166	1.0
412.23199	2.2
416.30170	0.7
430.24420	1.0
518.25781	0.7
518.33044	1.6
536.34363	100.0
537.34540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	0.4
58.06367	0.2
58.06619	0.4
60.08168	6.0
65.69690	0.2
67.05518	0.9
69.38493	0.2
69.79699	0.5
69.80115	0.4
70.06619	0.2
71.07382	2.7
71.65173	0.2
75.80443	0.2
76.38590	0.1
79.05499	0.5
81.07064	0.9
85.02917	0.2
86.09710	28.9
87.19447	0.2
88.61220	0.2
91.05482	0.3
91.88454	0.2
93.07042	0.3
95.08636	0.3
97.02908	0.2
98.98468	2.8
98.99073	0.1
104.10750	3.0
107.08653	0.2
109.10209	0.2
121.10174	0.2
123.04427	0.2
125.00011	19.6
130.97650	0.2
184.07347	100.0
190.90091	0.2
243.08867	0.2
258.11145	0.2
271.16571	0.2
284.12659	0.3
299.06070	0.3
365.15298	0.9
500.31335	1.0
518.32458	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	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77296	0.5
55.01864	2.6
55.05505	1.2
56.05024	1.2
56.27533	0.5
57.03427	2.6
60.04526	25.0
60.69868	0.5
65.03928	0.6
67.05505	8.5
68.05013	1.6
69.03438	4.5
69.07091	0.5
70.02941	1.3
70.06598	1.1
71.01350	0.6
71.04992	5.3
71.25992	0.8
72.04514	2.6
73.02921	2.8
74.06073	0.5
79.05495	7.0
80.05007	3.2
81.03410	1.5
81.07055	5.8
82.06565	1.0
83.04987	1.3
84.04504	2.5
85.02899	8.5
85.03372	0.8
86.06092	0.6
87.04463	9.7
90.05565	3.9
91.05483	5.3
92.05027	1.0
93.07044	3.8
94.06595	3.4
95.04955	3.6
95.08601	2.0
96.04501	2.6
96.08171	0.7
97.02895	7.2
97.06533	5.8
98.06061	1.3
101.02383	1.1
102.05548	0.8
105.07037	2.9
106.06563	8.6
107.04928	1.0
107.08587	3.9
108.04459	0.6
108.08118	2.3
109.06510	1.1
109.10174	2.7
110.06030	2.1
111.04451	0.8
111.08101	3.8
113.02365	1.9
114.05501	1.2
115.03934	1.9
115.05414	0.6
115.74897	0.6
117.05734	0.5
117.07049	2.1
118.06548	2.1
119.04939	1.1
119.08572	2.9
120.08102	8.6
121.10134	1.8
122.06001	3.9
122.09689	1.3
123.08069	1.7
124.07578	2.4
125.09589	0.8
126.09213	0.7
128.06160	0.6
129.07025	1.4
130.05032	1.0
131.08574	2.7
132.06552	9.4
132.08063	2.8
133.10139	1.1
134.09648	2.3
135.08047	1.2
135.11719	0.9
136.07573	10.6
137.09659	0.8
138.09140	0.7
142.08623	1.0
143.08580	0.7
145.10188	1.8
147.04420	2.7
147.08000	0.7
147.11700	1.2
148.07564	3.4
150.09135	5.2
150.90207	0.5
153.09067	1.2
154.08597	3.7
155.08542	0.9
157.10191	0.8
158.08131	1.0
159.11726	1.5
160.07515	1.1
161.04443	0.7
162.09143	0.9
163.11179	2.7
164.10791	0.6
166.08675	3.3
167.30159	0.5
171.11740	0.9
172.09734	1.1
172.11237	1.0
173.13258	1.1
175.11195	0.6
177.12720	1.2
178.08636	2.8
180.10211	0.7
185.13275	1.0
188.14368	0.8
189.12802	1.3
190.12292	0.6
196.09702	2.2
201.12717	0.8
203.14388	1.2
214.10718	0.9
218.15407	0.7
219.67146	0.6
229.12233	0.6
256.17023	0.8
258.18625	0.9
262.17947	1.3
268.16895	1.1
270.17242	0.7
274.18130	3.4
286.18069	5.4
292.18887	0.8
304.19000	6.6
322.20078	6.8
340.21188	7.7
350.19708	0.9
358.22220	7.3
376.23294	5.7
386.21631	1.0
482.23807	1.3
500.24844	2.5
518.25977	55.5
536.27020	100.0
537.27783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05505	2.1
56.05024	1.6
57.03441	3.7
60.04528	28.3
61.02904	1.0
67.05510	9.2
68.05019	1.4
69.03436	5.7
69.07055	0.8
70.02944	0.8
70.03842	3.0
70.06585	1.7
71.01338	0.8
71.05005	5.5
72.04516	2.6
73.02914	2.7
79.05495	7.9
80.05013	3.2
81.03409	3.0
81.07062	5.1
82.06576	1.1
83.04993	2.0
83.08633	0.7
84.04498	2.1
84.08156	0.8
85.02907	8.3
86.06052	1.2
87.04472	8.1
90.05563	4.9
91.05475	5.9
92.05013	1.1
93.05741	0.9
93.07050	4.1
94.06564	3.0
95.04976	2.9
95.08595	2.0
96.04496	3.2
96.08138	1.1
97.02896	9.3
97.06532	4.5
98.06045	1.7
98.21526	0.7
99.00834	0.6
101.02379	1.9
102.05549	1.4
105.07020	3.9
106.06566	9.5
107.05005	1.1
107.08613	4.6
108.08121	2.5
109.06514	0.9
109.10175	2.2
110.06039	2.6
111.08086	5.2
112.07658	0.8
113.02399	3.4
114.05527	1.5
115.03928	2.1
115.05496	0.8
117.07023	2.3
118.06547	2.7
119.08601	2.8
120.08120	9.1
121.06532	0.9
121.10140	2.6
122.06014	4.5
122.09681	1.4
123.08057	2.1
123.08969	0.5
124.07600	2.6
125.09640	1.0
129.07033	1.4
130.05005	2.2
130.06511	0.7
131.08574	2.5
132.06564	10.9
132.08116	2.4
133.10123	2.4
134.09703	2.7
135.08051	1.3
135.11720	1.4
136.07576	11.2
137.09613	0.8
138.09187	0.9
141.06992	1.0
142.08681	0.8
143.03410	1.7
145.10144	1.1
147.11708	1.8
148.07634	3.6
150.09148	4.5
153.09140	1.9
154.08633	3.8
156.44350	0.6
157.10132	1.2
158.08174	0.7
160.07658	1.1
161.13284	1.5
162.09157	0.7
163.11172	2.2
164.10732	1.5
166.08669	3.3
171.11734	1.0
172.09729	1.6
173.13237	1.5
175.11200	1.3
176.10730	1.2
177.12785	1.9
178.08658	4.2
180.10349	0.7
189.12796	0.9
191.14339	0.8
196.09711	2.9
201.12810	1.3
202.12256	0.7
203.14394	1.3
206.11909	0.8
207.13907	0.8
210.14996	0.6
214.08620	0.7
218.15518	1.0
220.13443	0.9
226.12126	0.7
256.17084	1.5
258.15118	0.8
258.18594	0.9
262.18042	1.1
267.15836	1.3
268.16959	1.7
274.18079	5.1
286.17984	6.3
292.19019	1.1
304.19107	9.8
322.20099	8.9
340.21240	9.5
342.06000	0.7
350.19940	0.8
358.22208	6.8
362.16202	0.8
368.20554	0.7
376.23236	4.4
386.21854	1.8
408.22882	0.7
464.22894	1.2
482.24191	1.7
500.24933	3.9
518.26019	100.0
519.27008	0.7
536.27100	85.1
537.27844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3996
Annotation	Concentricol D
Peak:m/z	Relative Intensity
53.03939	5.4
55.01867	9.2
55.05513	42.5
57.03429	4.7
57.07060	3.6
59.04984	2.5
59.30155	1.1
63.02390	0.9
63.80762	1.1
65.03930	4.3
67.05507	75.4
69.03435	15.1
69.06729	2.1
69.07070	29.4
69.22076	11.7
71.04994	6.5
71.08636	1.3
73.06548	1.7
76.40115	0.9
77.03928	2.1
79.05495	66.9
81.03397	3.1
81.07059	100.0
83.04986	10.2
83.08145	1.9
83.08620	25.9
84.72185	1.1
85.06554	8.2
91.05482	45.9
93.07046	81.2
95.04983	9.1
95.08608	67.1
97.06530	13.8
97.10170	31.0
98.21676	1.3
99.08092	3.8
101.06026	1.7
103.05454	2.5
105.04515	2.6
105.07034	37.5
107.04955	4.6
107.08601	53.5
109.06523	9.0
109.10155	29.2
111.08077	10.7
115.05434	2.2
117.07030	16.3
119.08585	36.6
121.06490	3.2
121.09319	1.9
121.10146	34.8
123.08050	6.7
123.11731	9.6
125.08758	1.9
125.09635	25.2
127.07593	1.4
128.06242	1.9
129.07011	7.5
131.08585	26.6
133.06470	1.8
133.10132	26.7
135.08061	8.4
135.11703	31.2
137.09605	10.5
137.13179	2.0
137.66522	1.1
139.11206	2.3
141.07018	1.9
141.09134	1.2
143.08549	8.1
145.10138	18.0
147.08002	2.0
147.11690	22.7
149.09615	5.4
149.13268	19.9
151.11166	2.6
153.09102	3.0
155.08533	3.8
155.10683	1.6
157.10146	9.0
157.12146	1.6
159.11691	21.3
161.09665	2.3
161.13268	9.5
163.11147	4.0
163.14832	7.0
165.12764	7.7
167.08585	1.4
169.10152	3.9
171.11678	9.1
173.11858	1.7
173.13217	9.6
175.11203	2.7
175.14743	4.4
177.12729	12.0
177.16331	1.5
179.14346	1.7
181.10097	2.3
183.11671	3.6
185.13208	6.3
187.11195	1.9
187.14809	7.1
189.11099	1.8
189.12698	2.7
191.14270	1.7
193.12146	2.6
195.11884	1.7
195.13739	10.8
197.13234	6.0
197.15216	2.3
199.14778	4.7
201.16434	2.8
203.12746	8.9
205.15884	2.1
209.13380	1.5
209.15338	3.0
211.14870	2.8
213.14661	5.3
213.16432	3.0
215.14316	2.8
217.15955	1.7
221.15482	1.7
223.16800	1.6
225.14827	3.1
227.16376	5.9
233.15369	4.1
235.16945	3.2
239.16267	1.4
241.19481	3.6
247.16969	1.8
249.18454	2.8
251.20024	2.1
255.17273	1.4
257.19049	1.5
259.20477	3.1
263.20004	2.0
265.18024	1.8
267.19565	9.9
275.20132	1.4
277.21588	4.7
279.19495	6.6
281.21295	2.2
289.21622	2.7
291.23187	21.4
301.21222	1.5
303.22830	1.4
305.24969	1.4
307.22705	4.9
315.22992	1.4
317.24481	2.1
331.26248	3.7
333.24146	1.8
333.27869	2.6
347.25851	2.3
355.26221	1.8
389.30331	1.8
395.28119	2.5
407.28006	2.3
435.32303	5.0
453.33487	3.8
459.34360	1.7
467.35114	3.9
471.34564	2.7
473.36057	3.9
485.36172	9.6
491.37427	1.3
499.37723	12.1
503.30493	1.4
503.37393	14.3
517.38940	68.0
535.32910	2.0
535.40063	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	535.1086
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
52.54981	0.1
55.20348	0.1
60.04501	0.2
67.01833	0.3
67.05473	0.1
68.68618	0.1
68.99777	0.3
69.03402	0.2
69.07048	0.2
70.06557	0.2
71.01283	0.3
73.02873	0.1
73.49438	0.1
79.05451	0.1
80.65675	0.1
80.85085	0.1
81.03394	0.2
82.06553	0.1
84.08112	0.2
85.02865	0.3
89.03909	0.2
91.05471	0.1
93.07057	0.1
94.06586	0.1
95.04930	0.1
97.02874	0.1
97.06509	0.2
99.94428	0.1
107.04889	0.2
109.02828	0.2
117.03355	0.1
119.04900	0.1
123.77790	0.1
126.50716	0.1
127.03854	0.1
129.01791	0.1
133.10101	0.1
135.04416	1.4
137.02306	0.3
147.04372	0.2
153.01825	4.6
159.14600	0.1
161.02338	0.5
161.05873	0.1
167.06998	0.2
168.07333	0.2
171.02869	0.4
179.03384	0.3
185.06017	0.1
196.93532	0.1
203.03464	0.1
213.05414	0.1
219.06558	0.2
236.20215	0.1
241.04993	0.5
251.40660	0.1
259.09930	0.1
269.04367	0.4
287.05484	100.0
288.05823	0.4
327.26111	0.1
328.24811	0.1
356.24326	0.1
357.24771	0.1
449.10837	1.5
491.11945	0.2
517.09656	0.2
534.28510	0.7
535.10822	3.9
535.22577	0.2
535.28876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13614	1.5
53.03939	5.0
55.01861	3.4
55.05515	26.0
57.03433	5.6
57.07078	8.5
61.02941	1.8
67.05511	91.9
69.03434	14.6
69.07069	28.6
70.15824	5.1
71.04996	4.3
71.08619	5.8
73.02912	2.5
79.05495	27.9
81.03426	13.6
81.07063	100.0
83.04984	2.7
83.08617	14.5
85.02902	13.5
85.06534	3.9
91.05490	20.8
92.48418	1.5
93.07048	35.6
95.04967	4.8
95.08615	82.2
95.40915	1.5
97.02890	8.7
97.06522	5.9
97.10182	11.4
99.04449	3.1
99.08096	4.3
101.76170	1.7
102.86572	1.8
105.07031	19.1
107.04961	2.5
107.08607	22.2
109.02848	3.9
109.06503	3.0
109.09459	3.2
109.10161	40.8
111.04441	4.2
111.08022	3.9
111.11714	4.4
113.09612	2.2
117.07022	6.2
119.08593	15.8
121.06534	2.4
121.10143	20.4
123.08119	1.8
123.11720	17.5
125.09631	3.6
125.13274	2.1
127.03915	5.3
131.08595	9.7
133.06514	2.4
133.10117	18.7
135.11726	12.6
137.13264	9.5
139.11162	2.8
141.12703	2.4
143.08517	2.4
145.04936	2.1
145.10127	5.7
147.04341	1.6
147.11716	12.5
149.13261	10.4
151.11212	2.8
151.14789	5.6
153.12709	2.7
155.14279	1.8
157.10098	2.9
159.11664	4.0
161.13269	15.1
163.11182	2.5
163.14848	8.7
165.12657	2.1
165.16364	5.7
171.11719	2.3
173.13240	3.4
175.14789	8.7
175.27113	1.5
177.12704	1.8
177.16292	2.1
179.17856	1.9
181.12207	2.2
181.15813	1.5
183.11845	1.7
187.14990	3.6
189.16399	5.1
191.14339	2.4
193.12267	2.7
193.15918	1.9
201.16342	2.7
213.12755	1.5
215.17799	2.7
217.15892	2.3
223.14905	1.6
243.21054	2.6
245.20352	2.5
245.22688	28.9
261.22232	5.5
263.23721	56.2
273.22083	2.0
279.23196	4.4
291.23102	4.6
293.24744	4.5
303.23123	3.2
305.24673	4.9
317.24835	2.1
321.24268	3.1
329.24774	5.7
337.27353	19.2
343.26324	4.4
347.25806	4.0
353.24744	9.5
371.25818	31.6
389.26917	22.7
407.27936	29.2
425.29001	11.9
474.32703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70980	0.2
55.05510	0.3
56.05035	0.6
56.96574	0.2
57.03467	0.2
58.06358	0.2
58.06623	0.5
60.08166	6.2
64.63602	0.1
67.05505	0.8
69.07058	0.4
70.06587	0.2
71.04985	0.2
71.07379	2.9
71.57236	0.3
79.05499	0.6
81.03423	0.3
81.07062	0.6
83.04955	0.2
83.08616	0.2
86.09711	28.3
91.05492	0.7
93.07060	0.5
95.04974	0.3
95.08590	0.3
97.06532	0.3
98.97585	0.1
98.97822	0.2
98.98469	2.3
104.10757	3.1
105.07051	0.4
107.08620	0.3
109.10202	0.2
119.08593	0.2
121.10172	0.2
125.00013	20.0
125.09761	0.2
133.10089	0.3
147.11659	0.2
173.13205	0.2
184.07349	100.0
185.07800	0.2
199.35010	0.2
247.08652	0.2
258.11047	0.2
446.75140	0.2
498.30099	0.8
502.97754	0.2
516.30908	5.8
534.31897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01862	12.4
55.05512	76.1
55.64234	2.6
57.03423	5.8
57.07089	3.3
59.04993	7.4
65.03934	2.8
67.05508	100.0
69.03417	12.9
69.07072	24.3
71.01345	9.9
71.04992	6.0
71.56820	2.9
71.57233	4.0
73.02893	4.7
75.58629	3.0
79.05496	46.2
81.03417	41.8
81.07062	50.5
83.04987	17.8
83.08618	40.0
85.02905	18.0
85.06557	5.2
85.46654	2.7
87.04460	6.2
91.05479	46.1
92.74947	2.8
93.07047	37.5
95.04975	23.6
95.08604	22.1
97.02888	7.4
97.06532	10.7
97.10168	59.7
99.04422	3.6
103.05497	2.8
105.07032	25.0
107.04958	10.1
107.08602	34.6
109.06506	5.8
109.10162	56.4
111.04428	7.8
111.08067	9.0
117.07002	10.4
119.08582	28.3
121.06535	6.5
121.10148	50.2
123.08040	5.2
123.11714	5.7
125.09634	59.5
129.07022	6.1
131.08577	31.2
133.06558	3.2
133.10132	22.3
135.07997	6.1
135.11667	12.0
137.09602	6.8
139.11180	8.0
145.10126	11.2
147.08032	6.2
147.11685	7.9
149.09628	25.1
151.11166	6.9
153.12808	4.7
155.10666	4.3
157.10117	10.0
161.09688	5.2
163.11194	22.5
167.10672	5.7
173.09576	8.9
173.11784	39.5
175.11172	6.6
179.10664	3.0
181.12253	10.4
185.11742	4.1
187.13300	9.3
191.10690	14.3
193.12247	48.3
199.13524	3.2
203.12706	3.3
209.11726	27.6
211.13287	3.6
217.14386	4.8
223.13304	4.7
225.14894	12.3
227.12807	11.6
241.14330	4.0
288.67725	2.8
314.17450	6.3
329.15076	2.9
332.18536	5.4
343.83606	3.4
404.42160	3.7
534.33936	4.4
552.04022	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05026	0.6
58.06621	0.5
59.12955	0.1
60.08163	6.3
67.05492	0.4
69.66681	0.9
70.06595	0.2
71.07375	2.9
79.05490	0.5
81.07040	0.3
83.08615	0.2
86.09704	30.7
91.05486	0.2
93.07030	0.4
95.04942	0.2
95.08603	0.2
98.98467	2.7
104.10745	4.4
105.06973	0.3
107.08591	0.3
125.00003	21.6
131.00140	0.1
156.03610	0.2
184.07335	100.0
224.08116	0.4
224.29399	0.1
247.08488	0.2
258.11084	0.3
516.30853	1.0
534.31934	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	534.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01876	1.5
55.05514	3.8
56.05037	2.3
56.96570	0.4
57.03428	0.8
57.07061	0.5
58.06584	0.8
59.04976	0.3
60.04528	12.0
61.02916	1.0
65.03939	0.4
67.05508	5.0
68.05032	2.0
69.03438	1.2
69.07063	2.0
70.02957	0.4
70.06593	3.3
71.01351	0.7
71.04986	1.4
71.57313	0.3
72.04527	1.8
72.08141	0.3
73.02922	7.1
74.06065	0.7
75.04484	3.5
79.05494	3.8
80.04563	0.5
80.05019	9.1
81.03411	1.0
81.07066	5.4
82.06586	3.2
83.04971	1.8
83.08607	0.8
84.04493	0.9
84.08130	1.0
84.94858	0.3
85.02907	1.0
85.06534	1.0
86.06072	0.7
86.09706	0.5
87.00817	0.3
87.04465	0.7
88.03981	0.4
90.05563	1.2
91.05477	2.4
93.07046	4.4
94.06572	10.2
95.04976	1.1
95.08610	4.5
96.04493	0.4
96.08141	1.2
97.02894	0.8
97.06555	1.4
97.10170	0.6
98.06051	1.9
98.97606	0.3
99.04436	0.5
99.08076	0.4
100.07631	0.5
100.11261	0.3
101.02357	0.3
102.05554	0.4
103.03965	0.4
105.07023	2.1
106.06560	1.2
107.05011	0.3
107.08598	2.0
108.08124	1.6
109.06536	0.8
109.10151	1.4
110.06031	0.9
110.09692	0.7
111.08081	2.5
112.07604	0.5
116.07103	1.2
116.98662	0.3
117.07030	0.7
119.04987	0.3
119.08598	1.7
120.08127	1.8
121.10140	1.8
122.09673	0.7
123.08075	0.5
123.11730	0.3
124.07581	0.4
124.11230	0.5
128.07047	0.4
129.01830	0.6
131.08568	0.9
133.04950	0.6
133.10150	1.1
134.09662	1.5
135.11693	1.1
137.09612	0.4
138.12773	0.7
138.85088	0.3
141.29221	0.3
142.08617	0.4
145.10129	0.9
146.08134	1.5
147.04413	0.8
147.11690	0.8
148.11238	0.4
149.59589	0.3
159.11676	0.5
160.11301	0.4
161.04497	1.2
162.12769	0.4
171.11690	0.3
173.13295	0.3
179.14330	1.0
180.13840	0.6
189.04089	0.3
190.15846	0.4
194.15442	0.3
206.15425	0.9
207.06712	0.3
208.16986	0.8
218.15443	0.4
220.17010	0.6
224.20085	1.6
228.71007	0.3
233.15463	0.4
234.18547	0.8
236.16458	0.8
236.20099	3.6
237.24460	0.3
238.21713	0.4
244.20685	0.8
246.18571	1.5
248.20219	0.5
250.21591	0.6
254.21159	2.9
259.09482	0.4
262.21680	2.1
264.19638	1.1
264.23264	1.0
266.21228	0.6
271.06015	0.3
274.21655	6.3
280.22772	0.5
282.20590	1.0
282.24219	0.4
292.22665	5.2
300.21634	2.4
304.22870	0.3
310.23779	3.9
316.22275	0.3
328.24820	17.6
338.23328	1.1
340.24756	0.4
346.25983	0.8
350.23276	0.5
352.24850	0.4
356.24341	5.5
358.26025	0.6
368.24509	0.4
370.25949	1.1
372.27368	0.3
374.25281	0.4
388.26920	6.1
396.23712	3.6
399.10672	0.3
414.24850	1.7
460.25351	0.5
516.18585	0.5
516.28101	2.1
534.29114	100.0
535.29388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23705	0.4
53.03942	0.5
53.39054	0.5
54.32241	0.4
54.41452	0.5
55.01851	1.6
55.05508	2.7
56.05026	1.4
57.03424	0.7
59.05012	2.3
60.04257	0.7
60.04527	7.9
65.03935	0.5
67.05508	3.6
68.05021	1.0
69.03412	1.3
69.07050	1.3
70.06602	3.0
70.15996	0.5
71.00783	0.5
71.01098	0.7
71.04976	1.6
72.04503	1.2
73.02925	8.2
74.06075	0.9
75.04456	1.8
79.05493	2.6
80.04637	0.5
80.05025	6.4
81.03407	0.7
81.07052	3.4
82.06584	3.1
83.04955	0.6
83.08627	0.6
84.04449	0.7
84.08124	1.1
85.02892	1.6
85.06549	1.0
86.09694	1.2
87.00830	0.9
87.04434	1.8
89.06042	0.9
91.05468	1.7
93.07037	2.7
94.06570	6.8
95.08649	3.0
96.08112	0.8
97.02879	0.6
97.06480	1.1
98.06065	1.3
99.04452	0.7
103.07564	0.7
105.07028	1.4
106.06532	1.0
107.08602	1.7
108.08116	1.3
109.10145	0.7
109.66733	0.5
110.09673	0.6
111.08098	1.2
116.07092	1.3
117.13998	0.5
119.04958	0.8
119.08589	0.9
120.08121	1.4
120.73403	0.4
121.10100	0.8
122.09662	0.7
127.03930	0.7
129.01823	1.6
131.08517	0.5
133.04970	0.9
133.08646	0.7
133.10179	0.7
134.09602	1.1
138.12753	0.7
143.08441	0.6
145.02917	0.7
145.10023	0.5
146.08122	2.6
147.04425	1.3
147.11691	0.7
148.04733	0.6
148.11133	0.5
161.04446	0.7
171.02910	1.1
173.66318	0.5
173.84018	0.5
175.03917	1.0
176.04225	0.7
177.05434	0.8
179.14293	1.4
189.03946	0.8
190.15825	0.5
207.06595	0.9
208.16869	0.6
211.76460	0.5
224.20052	1.1
236.20110	4.0
244.20578	1.2
251.16458	0.5
254.21175	3.7
262.21558	2.5
263.19910	0.5
264.22971	0.5
266.21222	0.8
274.21674	5.0
282.20691	0.6
287.05435	1.3
292.22726	6.6
300.21756	1.1
310.23755	2.4
325.25000	0.5
327.26437	1.0
328.24670	10.7
338.23291	1.3
346.25870	6.8
354.26459	1.1
356.24359	1.9
358.25797	0.6
372.27542	1.1
374.25305	1.9
442.24026	0.7
460.25070	0.6
498.27130	0.6
502.29810	1.2
516.18854	0.8
516.28003	2.5
534.28998	100.0
535.21356	1.2
535.28992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01866	2.3
55.05499	1.5
56.05010	1.4
57.03435	2.9
58.06577	1.1
60.04523	12.0
60.60131	0.5
61.02925	1.1
67.05506	4.6
68.05015	1.3
69.03426	5.3
69.07066	1.3
70.02930	0.8
70.06588	5.6
71.01344	1.0
71.04990	4.7
71.57289	0.8
72.04522	4.0
72.08179	2.3
72.08498	0.4
73.02909	3.3
74.06083	8.7
79.05484	3.8
80.05012	4.2
81.03413	2.9
81.07058	4.6
81.90787	0.5
82.06577	3.1
83.04971	0.8
84.04494	1.9
84.08131	1.9
85.02905	9.5
86.06055	3.3
86.09681	2.0
87.00815	0.6
87.04453	1.6
91.05489	2.8
93.07053	3.7
94.06566	4.3
95.04961	1.3
95.08589	2.8
96.04482	1.9
96.08134	1.5
97.02896	5.8
97.06529	5.2
98.06049	2.2
98.97455	0.5
100.07624	1.4
101.02391	1.3
102.05525	1.5
105.07021	2.0
106.06577	0.6
106.31592	0.6
107.04968	0.9
107.08582	2.0
108.08114	1.3
109.06536	0.7
109.10153	1.6
110.06056	3.4
110.09726	0.7
111.08083	2.1
113.02380	2.7
114.05526	1.5
115.03946	1.7
116.07083	1.6
117.07011	1.0
119.08566	2.2
120.08100	1.7
121.06479	0.7
121.10136	1.3
122.06033	1.1
123.08139	0.8
124.07613	1.0
124.93324	0.5
127.03922	0.5
128.07068	2.6
129.06990	0.7
129.10207	0.5
130.08620	0.5
131.04932	0.9
131.08556	1.7
132.06564	6.7
132.08072	0.9
133.06410	0.7
133.10101	1.2
134.09662	1.1
135.08121	0.9
136.07608	1.7
137.05916	0.5
137.09601	0.7
143.03380	0.8
144.06555	6.8
145.10139	0.7
146.08122	17.8
147.11682	0.8
150.09172	0.8
158.08138	1.0
159.07967	0.5
161.04478	1.1
161.05841	0.6
161.13245	0.5
162.06436	0.5
163.07501	0.5
167.07027	3.7
168.07373	2.2
175.07599	0.5
187.07472	0.8
191.14183	0.6
201.16678	0.5
211.17024	0.8
218.15186	0.5
224.20078	1.3
226.08786	0.6
231.09076	0.6
233.15121	0.5
236.20009	0.6
237.18478	0.8
248.20062	0.8
254.08223	1.0
260.20093	3.2
262.21768	2.5
266.21143	1.6
272.20114	2.1
278.21136	2.5
280.22604	1.5
290.21149	6.9
292.22662	1.0
296.21982	0.8
302.21173	0.8
308.21997	2.6
314.13995	0.6
320.22198	1.4
322.11606	0.6
324.12283	1.5
326.23254	5.2
338.23227	6.4
342.13712	1.7
344.24203	0.5
354.14215	0.7
354.22684	1.2
354.26578	1.2
356.24298	16.7
372.08630	0.8
372.27444	2.7
374.25397	12.1
402.24799	1.6
462.21317	0.8
480.22150	1.7
498.23105	2.9
502.19528	0.6
516.18561	5.0
516.27985	3.6
534.29022	100.0
535.29523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	1.5
55.05512	2.4
56.05021	1.8
57.03441	2.6
58.06612	0.6
59.96270	0.4
60.04528	10.9
60.16722	0.4
61.02934	0.4
62.69970	0.4
67.05508	3.0
68.05012	1.1
69.03436	4.3
69.07065	1.1
70.06580	2.9
71.01341	0.6
71.05000	0.7
71.21449	0.6
71.21761	0.4
71.39783	0.4
72.04514	3.5
72.08126	0.7
73.02924	2.5
74.06080	6.9
79.05496	2.5
80.05005	2.8
81.03423	1.1
81.07065	2.9
82.06591	2.5
83.04964	1.3
83.08626	0.4
84.04470	1.0
84.08138	1.0
85.02901	6.2
85.06554	0.9
86.06065	1.8
86.09686	0.6
87.04465	1.0
89.02355	0.4
90.05549	0.8
91.05495	1.9
93.07065	2.6
94.06564	4.0
95.04955	0.5
95.08590	1.8
96.04494	1.7
96.08129	1.0
97.02888	7.2
97.06541	0.8
98.06042	1.8
100.07581	0.6
101.02383	1.8
102.05542	0.7
105.07043	1.2
106.06532	0.7
107.04946	0.6
107.08614	1.2
108.04462	0.4
108.08141	0.5
109.06536	0.5
109.10164	1.3
110.06041	3.6
111.08086	2.0
112.07601	0.7
113.02378	2.3
114.05524	1.2
115.03944	2.0
116.07100	1.5
116.10741	0.7
119.08564	1.4
120.08078	1.0
121.10129	1.0
122.06006	1.0
123.06817	0.4
123.11636	0.5
124.07567	0.7
125.02405	0.6
126.05496	0.4
128.07074	2.8
131.04903	0.5
131.08580	0.9
132.06570	5.9
133.10141	0.8
135.11673	0.4
136.07573	0.6
137.06003	0.8
137.09560	0.5
142.08736	0.5
143.03406	0.7
144.06563	7.3
146.08127	18.8
148.11174	0.5
157.22220	0.4
158.08145	0.8
161.04497	0.8
163.07533	0.8
168.07596	0.4
174.12836	0.5
179.14322	0.5
193.15971	0.4
204.13734	0.4
206.15419	1.0
224.20122	1.5
227.61108	0.5
234.14967	0.5
234.18637	0.5
237.18544	0.5
238.18111	0.4
238.21814	0.9
248.20105	0.8
250.21663	0.7
252.15851	0.4
260.20200	1.9
262.18127	0.8
262.21625	1.6
266.21158	1.7
268.22653	0.6
272.20084	1.7
274.21686	0.8
278.21146	2.1
280.22546	0.5
290.21121	5.7
294.96216	0.4
296.22177	1.3
302.21152	1.3
308.22339	2.0
320.22379	1.5
326.23376	3.1
336.21585	0.5
338.23196	3.9
344.24390	0.6
356.24307	10.1
374.25385	16.7
374.30142	0.9
384.23868	0.8
388.27072	0.7
402.25043	2.7
420.21381	0.6
498.27634	0.5
516.27942	5.6
534.29102	100.0
535.29510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
56.49608	0.6
56.96556	1.1
57.03440	3.5
61.02917	2.2
66.51498	0.7
69.03419	5.6
69.84837	3.4
71.04985	0.8
73.02923	4.1
81.03426	1.4
85.02909	12.4
86.03219	1.6
87.04464	0.9
87.69584	0.6
91.03960	0.7
97.02887	4.5
98.97591	6.3
105.52377	0.7
109.02888	1.2
110.97563	1.9
116.98660	1.8
119.01792	3.8
120.01973	0.8
125.01791	1.1
127.03902	5.1
131.01813	1.6
140.02321	1.2
140.52458	0.8
143.00183	1.0
143.01741	0.8
145.04929	3.5
146.02370	2.0
146.52512	1.2
152.52469	1.0
155.02844	2.5
155.53094	0.9
158.99651	7.5
161.02867	2.9
161.52991	1.1
162.94026	0.7
170.03380	0.9
170.99677	3.2
173.02873	0.8
177.00729	3.1
182.03377	4.1
182.53549	1.9
182.99681	1.9
189.00752	3.5
190.01143	0.7
191.03917	11.5
191.54076	4.7
191.98245	100.0
200.04425	9.0
200.54631	3.9
201.00691	4.4
201.04660	1.7
202.00940	0.8
209.04945	0.9
209.55112	0.7
219.01794	5.4
220.02007	1.0
231.01744	1.7
237.02692	0.8
243.01724	1.3
249.02850	1.7
251.99475	1.0
261.02750	4.8
262.03177	1.5
272.06604	8.2
272.56708	6.2
279.03769	3.3
281.03955	1.5
281.07059	26.2
281.57260	25.1
282.07324	5.5
291.03888	0.9
321.04831	1.8
362.09662	6.4
362.59882	13.2
363.09915	3.0
368.72357	0.9
381.07898	2.9
419.03400	0.9
441.09390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01867	5.8
55.05515	30.5
56.96553	2.9
57.03428	7.4
57.07075	19.7
58.94733	3.0
60.08171	3.9
61.02914	4.6
64.67449	2.6
67.05511	25.7
69.03432	27.3
69.06725	4.3
69.07074	57.6
69.77093	2.5
71.04982	7.9
71.08636	16.1
73.02918	5.2
74.04458	2.6
78.84952	2.6
79.05498	8.6
81.03426	19.0
81.07059	76.6
83.05053	2.5
83.08618	45.3
85.02902	61.4
85.06554	11.4
85.10204	6.2
86.09707	32.5
87.00837	29.4
87.10036	7.7
91.05480	8.8
93.07046	8.9
95.04971	3.7
95.08611	73.0
97.02905	17.8
97.06514	6.7
97.10169	44.4
98.20753	4.2
98.97596	2.9
99.04455	8.5
99.08126	3.9
104.10738	4.3
105.01875	35.3
105.07060	5.4
107.04984	4.0
107.08578	5.4
109.02867	17.5
109.10159	65.8
109.10907	3.4
111.04475	2.4
111.11732	36.1
113.09656	3.4
118.94120	2.4
119.08598	4.7
121.10139	4.2
123.11716	47.4
125.00008	23.3
125.13261	9.0
127.03923	36.0
127.14769	2.5
131.00131	2.4
131.08577	3.4
133.10132	5.0
135.11731	3.8
137.13248	19.3
139.14857	8.3
145.04967	9.1
145.10089	3.9
147.02936	4.5
147.04352	4.3
147.11751	5.3
151.14841	13.4
159.02943	4.0
161.30342	2.4
165.16396	12.5
167.18008	3.4
179.17964	8.3
184.07346	100.0
184.08989	5.1
185.07758	19.6
185.19061	9.9
193.19510	14.4
231.04898	5.2
244.33565	3.1
249.05965	3.4
249.25769	23.2
267.26849	65.0
285.27899	8.6
315.09769	2.9
319.74258	2.5
357.27875	3.6
387.82013	2.9
428.16428	3.5
461.29016	6.8
479.29935	3.4
533.29962	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01865	1.4
55.05487	0.8
56.96552	1.5
57.03436	1.3
60.04507	1.5
67.05497	1.6
69.03422	3.2
69.07085	0.9
69.59179	4.4
70.06592	4.9
71.04990	0.8
72.08147	1.0
73.02929	1.1
74.50432	0.8
78.04698	2.7
79.05492	7.9
80.05020	0.8
81.03409	1.6
81.07057	2.9
83.04958	0.8
84.04485	1.3
84.08138	2.6
85.02907	5.5
86.09679	2.2
91.05475	5.9
93.07065	0.8
95.04939	3.1
95.08637	1.7
97.02872	2.4
97.06522	1.2
98.97576	1.8
103.05470	4.5
105.04408	0.8
105.07033	8.9
106.04160	1.9
107.04964	13.5
107.08624	0.9
109.02861	0.9
110.09697	0.9
110.97593	0.8
115.05451	3.5
116.07086	1.1
117.07000	2.2
118.04179	1.0
119.04955	1.1
119.08572	2.8
120.08131	1.1
121.06483	2.2
121.10096	1.5
122.03635	1.2
123.04460	4.5
124.05184	2.6
125.06004	0.9
127.03954	0.9
128.06224	2.1
129.07011	5.7
129.10214	1.3
130.04169	1.3
131.04929	6.4
131.08545	1.6
131.63675	0.7
132.05711	2.4
133.02888	1.0
133.06522	6.6
133.10074	1.2
135.04376	1.6
136.07587	1.7
137.05969	2.3
143.06114	0.9
144.05673	1.6
145.06482	1.5
147.04404	2.8
147.08038	2.4
149.05972	1.6
151.03920	1.6
151.11192	1.7
152.04712	3.6
153.05450	2.6
153.09106	1.0
155.04973	0.9
156.05655	1.5
157.06465	1.0
159.04420	1.1
159.08034	5.1
160.05151	1.7
160.07523	1.0
161.06012	9.9
162.06783	1.3
163.03918	1.7
163.07535	3.4
167.07047	100.0
169.06441	0.9
171.08159	0.7
172.05194	2.9
175.06036	1.4
175.07555	24.0
176.04636	1.2
177.05452	1.9
178.07738	1.6
179.07007	1.4
184.05202	1.0
187.07555	21.6
189.06990	0.9
189.09036	2.0
190.07773	1.7
191.07028	9.7
191.08582	1.6
191.14343	1.6
193.08522	1.3
193.10199	1.2
199.07565	8.1
202.07677	1.8
203.08517	2.8
205.06638	0.9
205.08566	1.2
206.07310	1.7
207.08070	1.2
209.08080	2.0
209.15320	2.9
217.08572	1.8
218.07286	2.2
219.08002	2.5
221.09630	3.1
231.08035	1.8
232.08867	0.9
233.09587	2.0
234.06694	2.1
235.07520	1.7
237.02843	1.1
241.07533	1.0
246.06801	1.9
247.07523	1.1
248.08249	0.8
249.09142	5.4
250.09801	1.3
251.07109	2.1
259.08270	0.9
260.08264	1.2
261.09103	4.1
263.06998	1.9
266.09540	0.9
275.07095	1.7
277.08524	2.9
278.09467	1.9
281.11710	8.8
289.08572	3.6
290.09268	0.9
291.10028	1.6
293.11469	1.9
294.08960	1.3
295.09357	1.0
297.04211	1.6
303.10367	0.9
306.08841	1.5
307.09766	1.7
307.61838	0.9
309.11142	10.4
311.09097	1.1
315.74142	0.8
321.11185	9.7
322.12137	1.1
323.09094	1.7
326.11404	2.1
338.11157	0.9
341.06964	1.5
341.09915	1.5
341.13828	27.1
353.13806	12.2
359.13867	1.0
401.14691	1.1
501.19238	1.0
533.13831	1.0
533.21759	6.4
533.30609	3.0
534.28760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.05513	30.5
57.03430	7.3
57.07062	6.7
61.02909	2.6
63.66792	2.2
65.03942	2.9
67.05505	95.4
69.03432	24.5
69.07073	21.9
69.81769	14.8
71.01404	2.4
71.05000	4.9
73.02910	2.5
79.05489	84.1
81.03422	15.6
81.07055	100.0
81.07529	6.0
83.04994	14.1
83.08624	14.8
84.86223	2.6
85.02903	44.0
91.05485	49.0
93.07040	99.5
95.04975	7.5
95.08604	77.6
97.02890	32.1
97.06512	4.9
97.10149	8.8
99.04436	7.5
99.08059	3.1
105.07024	51.8
107.04977	3.1
107.08598	56.6
109.02838	3.9
109.06517	4.8
109.10154	35.2
111.04443	8.0
111.08063	5.7
115.03937	3.2
117.07029	25.5
119.08576	40.1
119.95171	3.3
120.78180	2.9
121.06470	4.4
121.10126	55.1
123.08037	3.7
123.11724	15.7
125.05997	4.1
125.09641	4.2
127.03923	20.7
129.05472	8.1
129.07037	6.2
131.08572	36.9
133.06429	4.8
133.10124	37.9
135.08041	4.1
135.11700	39.7
137.09644	5.1
137.13280	5.1
141.07051	3.1
141.30089	2.6
143.08580	10.1
145.04956	13.5
145.10123	24.7
147.08041	4.2
147.11703	25.1
149.09679	2.9
149.13292	18.2
151.11113	3.6
155.08527	6.1
157.10161	8.8
159.11685	28.1
161.09639	3.9
161.13240	17.0
163.11261	3.0
163.14796	7.2
169.10100	4.2
171.08034	3.2
171.11685	10.8
173.09711	3.3
173.13242	22.0
175.14825	4.9
177.12811	3.3
179.14371	3.7
183.11748	5.3
184.07356	4.5
185.09705	3.2
185.13258	10.6
187.14822	6.5
191.14310	5.4
193.12247	3.9
197.13412	3.0
199.14856	6.3
207.11638	3.7
225.12712	3.0
227.14497	3.6
231.21080	4.5
233.22549	3.5
241.19547	9.3
243.21129	10.8
259.20575	27.6
261.22125	54.9
271.87268	2.7
275.20038	3.2
277.21588	16.6
279.23257	9.5
289.21552	7.6
301.21451	4.6
303.23193	14.4
315.23245	12.0
317.24680	5.4
323.23813	4.0
327.23151	7.3
333.24255	4.2
339.22977	4.3
341.24692	6.4
345.24268	21.9
351.18741	3.1
351.23132	7.9
357.24118	8.1
359.26245	3.1
369.24200	35.4
387.25241	22.7
405.26300	21.1
423.27573	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	531.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
54.27041	1.3
55.01859	3.0
55.05511	12.1
56.96559	1.5
57.03429	6.0
57.03694	1.7
61.02917	2.2
62.99631	1.5
65.03935	1.7
67.05509	28.2
68.89209	1.6
69.03413	2.0
69.07077	11.3
69.93809	3.5
69.94228	4.9
71.04988	3.6
71.08628	13.1
72.63695	1.7
79.05492	28.3
81.03419	3.8
81.07059	29.7
81.41830	1.5
83.04975	3.3
83.08608	6.5
85.02898	3.7
85.06553	2.4
90.80709	1.6
91.03948	2.1
91.05486	18.2
93.07047	30.6
95.04961	4.4
95.08614	24.3
97.02876	6.5
97.06531	5.1
97.10155	2.5
98.21431	1.7
98.45366	1.6
99.08079	6.2
105.07030	18.6
106.38834	1.4
107.04951	3.6
107.08592	19.9
109.10159	11.0
113.09599	2.1
117.06999	5.1
119.08574	13.4
121.10142	15.3
123.08044	1.6
125.09627	1.9
127.03857	2.6
129.07040	2.1
131.08568	6.6
133.10132	7.3
135.11688	15.0
137.09669	3.1
139.11217	2.1
143.08556	3.2
145.10114	6.2
147.11685	6.9
149.13268	7.4
151.11186	6.0
157.10110	3.1
159.11656	5.4
161.13246	6.6
163.11200	2.7
171.11617	3.3
173.13239	3.3
175.14893	2.4
179.14291	23.6
179.30609	1.6
185.13297	1.9
229.14461	1.8
241.19604	3.0
259.20578	9.7
277.21674	26.6
351.25299	100.0
369.26505	2.8
395.79428	1.4
447.72830	1.5
477.28326	2.0
495.29608	1.6
513.30591	5.9
531.25073	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	531.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53774	3.2
53.03937	6.4
55.01858	3.9
55.05521	16.7
57.03424	11.0
65.12623	2.8
65.26279	2.5
65.40103	2.9
67.05174	3.4
67.05504	39.7
69.03424	5.7
69.07069	16.1
71.04994	5.9
71.08604	13.2
74.07018	2.7
79.05492	38.7
81.03401	10.2
81.07053	45.8
83.04956	6.8
83.08601	11.7
85.02888	6.0
85.06517	3.2
91.05466	26.8
93.07041	51.8
95.04945	10.9
95.08619	36.7
97.02892	14.2
97.06506	9.0
97.10165	7.0
99.04447	3.7
99.08056	8.3
105.07040	25.8
107.04967	4.7
107.08588	25.0
109.06564	3.3
109.10153	16.5
117.07008	8.0
119.08569	21.1
121.06551	3.2
121.10144	21.7
123.08050	7.3
125.09634	3.0
127.03913	6.6
129.06995	4.3
131.08548	8.9
133.10132	17.1
135.11685	22.1
137.09644	4.8
139.11189	3.8
143.08513	7.7
145.10107	8.0
147.11649	13.4
149.13278	5.9
151.11176	6.5
157.10121	5.0
159.11646	10.9
161.13210	8.6
163.11174	4.7
171.11736	4.6
172.97740	3.0
173.11748	2.7
173.13167	3.8
179.14325	32.3
189.12778	4.1
221.15622	3.8
229.14310	5.9
247.75192	3.4
259.20581	19.0
277.21631	46.6
281.12415	3.1
295.13724	4.1
295.22705	4.4
313.14728	3.4
351.25284	100.0
351.29578	5.3
369.26526	4.1
421.25833	6.0
437.36533	3.6
513.30414	5.3
531.28894	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65986	0.5
53.03922	0.6
54.82897	0.4
56.05027	1.2
60.04506	1.4
61.02948	0.4
65.03938	1.6
67.05495	1.1
67.19041	0.4
68.04995	0.8
69.03413	0.7
69.07054	0.5
70.06599	2.2
71.57040	0.5
72.08143	0.7
74.49058	0.4
79.05475	0.7
80.05010	2.0
81.03410	0.7
81.07066	1.2
82.06570	1.2
82.86275	0.4
84.04034	0.8
84.04501	8.7
84.08145	2.5
85.02888	0.6
85.06530	0.5
86.09701	1.4
91.05482	13.3
93.07035	1.8
94.06561	2.4
95.08623	0.6
96.04481	0.6
96.08121	0.9
97.08350	0.7
97.08913	6.2
98.09685	0.7
98.97569	0.6
103.05452	0.5
106.06543	0.9
107.04970	0.7
107.08595	0.8
108.08140	1.0
109.11259	0.4
110.06054	0.6
110.09681	7.3
113.00581	0.5
114.05524	2.3
119.04942	31.2
119.08544	0.7
120.08101	1.4
122.09695	1.0
124.11213	1.4
126.05521	1.9
131.04915	1.5
132.08081	0.5
135.70692	0.5
136.11221	1.6
137.05989	0.5
137.96582	0.4
138.12753	0.6
146.09613	0.5
147.04410	90.3
147.11702	0.8
148.04761	0.7
148.11192	0.7
150.12785	1.7
152.14313	0.5
160.07579	0.7
162.12746	1.1
163.07553	1.4
164.14395	2.7
166.15906	0.7
167.16632	0.4
174.12805	1.5
176.14322	0.8
178.15926	2.4
180.17395	0.7
188.07054	1.0
190.04118	0.4
190.15956	1.3
192.17503	2.0
194.19081	2.7
206.18967	0.6
210.18526	4.7
224.20020	0.5
233.20209	0.6
236.20113	3.2
242.19002	0.5
247.21524	0.9
248.20073	3.5
249.20763	0.8
250.21735	1.2
253.22705	0.6
254.18822	0.5
259.21725	7.6
260.20309	0.5
261.23227	0.9
266.21268	1.2
269.20096	0.5
271.21643	2.8
277.22729	4.4
278.21161	1.2
289.22739	7.3
290.21179	1.3
291.24487	0.5
307.23810	3.4
325.24884	4.5
341.24390	0.6
349.24982	0.6
367.25925	22.4
385.26965	54.0
455.28955	4.6
513.29663	12.3
531.30682	100.0
532.31470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	10.4
67.05473	6.5
69.07038	6.5
81.07057	9.7
87.04475	100.0
91.05458	9.4
93.07051	9.3
118.82402	5.5
121.10223	6.9
122.29354	6.0
133.10139	17.1
136.06194	18.8
159.08127	5.7
183.18848	8.0
201.34340	5.8
219.12605	6.8
242.83145	6.7
530.35944	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	530.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.4
57.03426	3.0
57.07074	9.9
67.05509	4.5
69.03432	4.8
69.07072	5.3
69.88512	11.2
71.04967	2.1
73.02948	2.4
79.05489	6.6
81.07051	5.8
83.04984	3.8
85.02896	5.4
85.06551	12.1
87.04485	11.3
91.05479	19.4
93.07072	4.2
105.07084	3.3
107.08580	2.2
109.06600	3.5
111.08079	8.4
127.07555	5.9
133.10139	100.0
147.08061	4.7
149.09619	27.8
153.09108	7.7
166.26099	2.3
171.10190	16.0
189.11246	21.6
256.97073	2.2
337.20129	5.9
432.83813	2.4
481.43686	2.4
485.28903	6.9
530.34967	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01874	3.5
55.05515	15.8
57.03427	3.6
57.07051	2.7
61.02917	8.6
61.98270	2.5
62.43542	2.8
65.03933	4.4
67.05507	34.6
69.07072	15.2
71.56803	3.3
73.02899	4.3
79.05492	48.6
81.03419	4.1
81.07063	39.3
83.08649	3.1
85.02895	9.1
86.29379	2.8
91.03944	5.1
91.05486	46.8
93.07047	63.6
95.04976	4.4
95.08602	24.5
97.02869	6.9
97.10128	3.3
105.07031	46.3
107.08607	35.7
109.10163	10.3
117.07011	10.6
119.07785	4.6
119.08577	37.5
121.06485	2.9
121.10165	31.5
125.09663	3.5
129.07010	6.9
131.08563	15.7
133.10129	34.1
135.11720	27.7
143.08545	9.0
145.10126	16.9
147.11670	25.1
149.13249	16.1
157.10101	8.0
158.75444	2.5
159.11717	17.6
161.13242	24.3
163.11127	3.7
163.14812	5.4
171.11697	8.5
173.13277	7.4
175.14822	11.7
177.12791	3.7
185.13231	8.2
199.14877	3.7
203.87701	3.3
213.16315	4.4
217.19499	3.4
231.21049	4.5
241.19518	21.6
259.20578	66.2
277.21579	13.9
296.14294	2.9
308.68295	2.7
329.45810	2.9
333.24344	13.6
351.25284	100.0
441.26407	3.5
459.27121	3.8
495.29614	3.2
501.91986	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	530.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72392	1.0
52.56404	0.9
53.03931	2.9
55.01861	3.5
55.05272	2.1
55.05515	31.7
56.96557	3.7
57.03190	1.3
57.03440	16.7
59.04713	1.4
59.05005	23.7
60.04502	3.6
61.02911	4.7
61.61751	1.2
64.42290	1.2
67.05508	50.8
69.03420	4.8
69.07063	7.4
70.06592	8.3
71.04990	8.5
71.57505	1.7
72.08127	3.2
72.08498	1.2
73.02905	2.0
74.06090	1.2
74.09722	6.4
79.05129	1.3
79.05501	13.4
80.05019	1.0
81.03421	6.7
81.07059	20.5
83.04988	5.8
83.08624	11.4
84.04511	1.9
84.08138	3.7
85.02913	8.8
85.06530	2.3
86.09713	7.4
87.04472	92.8
91.03956	2.5
91.05487	8.4
93.07046	7.7
94.06585	1.5
95.04958	3.4
95.08612	7.3
97.02879	4.6
97.06506	5.0
97.10172	24.2
98.97593	2.2
99.04454	12.1
103.03938	3.5
105.07010	4.0
107.04942	3.0
107.08601	9.3
109.06478	2.1
109.10159	48.9
111.04436	3.5
111.08101	2.2
117.07045	1.8
118.11896	1.1
119.08585	6.8
120.08070	1.4
121.06537	1.2
121.10119	3.2
125.09624	22.4
131.08595	2.3
132.06558	1.3
135.04367	1.3
135.11690	2.8
137.05997	1.7
137.09634	3.7
143.10666	3.9
143.11708	1.2
145.10100	3.2
147.04433	5.7
153.12788	2.0
155.10687	6.8
161.05943	1.1
163.11188	6.0
173.09550	1.5
173.11746	35.2
177.05457	1.9
191.10585	1.4
193.12215	1.4
199.13286	2.7
207.07077	1.1
209.15370	1.6
215.07152	1.1
217.14360	7.8
223.13342	2.0
227.12799	3.0
229.14362	100.0
229.56889	1.3
241.14299	1.9
245.13908	1.4
257.13818	4.0
259.09488	1.2
267.15778	1.2
283.15399	2.1
301.12723	1.1
301.16324	1.4
315.17987	8.9
333.06570	1.5
333.15216	2.4
333.19067	38.0
351.19998	4.0
356.15021	1.8
368.20398	1.4
370.25958	1.6
471.09424	1.7
477.23145	4.3
489.10870	5.2
495.24423	1.6
507.11511	1.8
512.28632	2.4
530.20496	3.7
530.29535	8.1
531.23706	2.6
531.30615	3.9
540.06250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01873	4.4
55.05512	27.2
56.05022	1.3
56.96560	2.4
57.03434	13.0
59.05000	24.3
60.04520	2.7
60.49645	0.9
61.02917	3.6
65.03930	1.8
67.05507	47.9
69.03435	3.8
69.07063	6.4
70.06593	8.0
71.04993	7.3
72.08156	2.3
73.02913	1.5
74.09727	8.9
79.05495	15.2
81.03410	5.3
81.07058	17.3
83.01382	1.0
83.04972	4.9
83.08624	10.3
84.04528	2.0
84.08144	3.5
85.02909	7.8
85.06551	3.1
86.09711	7.1
87.04469	84.3
91.03976	1.7
91.05466	8.3
93.07033	5.8
95.04958	2.9
95.08607	7.0
97.02889	5.0
97.06526	5.0
97.10165	18.5
98.97546	1.2
99.04456	9.6
103.03944	2.7
103.05437	1.3
105.07026	3.7
107.04954	2.4
107.08601	9.5
109.06500	1.1
109.10159	45.2
111.04434	3.0
111.08059	2.3
115.03903	2.0
116.07087	1.5
117.07031	2.1
119.04911	1.7
119.08585	7.1
120.08113	1.5
121.03836	1.1
121.10142	2.5
121.26397	1.1
123.08035	1.6
125.09632	24.0
125.10564	1.5
127.03884	2.6
127.48929	0.9
129.06978	1.1
131.08563	2.5
132.06535	1.9
135.08145	1.2
135.11740	2.5
136.07578	1.1
137.09625	3.0
143.10689	3.2
145.10114	3.0
147.04404	4.3
153.12762	2.0
155.10655	7.3
163.03842	1.1
163.11203	5.3
165.12735	1.0
166.08542	1.0
173.10172	1.9
173.11736	33.9
181.12241	2.0
191.10628	1.9
193.12291	2.6
199.13348	2.0
209.11803	2.0
217.14296	8.7
223.13347	2.8
229.14349	100.0
237.39468	0.9
241.14421	2.0
257.13892	3.9
259.09784	1.1
278.86710	0.9
283.15439	2.1
302.15076	1.1
303.61899	1.1
313.67236	1.1
315.17960	7.8
333.06693	1.2
333.19070	35.1
351.20166	2.7
356.15421	1.2
370.25845	1.0
392.04474	1.1
477.23712	2.2
489.10663	5.3
530.21613	2.2
530.29755	7.2
531.23749	2.4
531.30548	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	530.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01871	0.4
55.05503	0.8
57.03424	0.4
57.07056	0.4
61.02920	0.5
65.03930	0.7
67.05181	0.3
67.05508	3.7
69.03421	1.0
69.07052	0.6
69.87337	0.9
71.04993	6.4
73.02922	0.2
79.05479	1.1
81.03413	0.3
81.07058	3.3
83.04954	0.5
85.02898	1.4
85.06544	10.0
86.09700	0.2
87.22059	0.2
90.38756	0.2
91.03938	0.2
91.05478	8.4
93.07050	1.5
95.04986	0.3
95.08604	0.5
97.02882	0.6
97.06519	0.6
105.07026	3.7
106.07371	0.2
107.08594	3.1
109.06493	0.5
109.10153	4.8
119.04940	14.8
123.11732	0.8
127.03916	0.7
133.10123	9.8
138.32800	0.2
145.04939	0.3
145.10133	0.2
147.04407	100.0
148.04750	0.5
151.11180	6.9
165.05463	1.0
168.43182	0.2
169.12236	6.2
179.07025	0.2
187.13287	16.0
276.20474	0.5
291.08591	0.5
309.09662	1.4
331.76682	0.2
333.16962	6.5
350.24075	0.5
368.25250	0.2
472.26477	0.2
494.26959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01881	2.4
55.05513	3.0
56.69028	0.3
56.96533	0.5
57.03428	1.4
59.04997	0.3
61.02936	2.5
67.05508	4.8
69.03458	1.9
69.07066	3.7
69.82184	1.9
70.07398	0.3
71.04987	0.4
73.02918	1.4
73.12723	0.3
79.05499	4.9
81.03438	1.5
81.07061	4.3
83.04980	1.2
83.08604	1.1
84.59086	0.3
85.02911	3.3
85.06526	0.4
86.09710	0.4
89.06035	0.6
91.03963	1.6
91.05489	4.1
93.07037	3.5
95.04968	1.9
95.08614	2.7
97.02901	2.2
97.06539	7.5
97.10167	1.5
98.97631	0.4
99.04461	0.4
105.07024	3.5
107.04965	1.7
107.08588	3.9
109.02842	0.4
109.06499	0.6
109.10171	1.7
110.86252	0.3
111.04465	0.5
111.08110	0.3
111.11726	1.1
117.07005	1.6
119.08579	2.2
121.06512	0.5
121.10176	1.5
123.08044	0.3
123.11714	0.5
125.09627	1.4
127.03888	0.8
128.06219	0.4
129.07054	0.5
129.12790	0.9
130.13123	0.4
131.08551	1.7
133.10138	2.2
135.08043	0.4
135.11676	1.0
137.05846	0.3
143.08577	1.0
145.04962	0.4
145.10120	1.4
147.11665	1.6
149.09601	2.4
149.13319	0.5
151.11211	0.5
157.10085	0.4
159.11679	1.5
161.09604	0.4
161.13261	0.7
163.11224	0.9
169.10094	0.4
171.10176	1.2
173.09608	0.4
173.11812	0.5
175.11200	0.6
177.12782	0.4
187.11215	0.4
189.11258	1.4
199.07567	0.4
213.09322	0.4
218.18396	0.7
227.12816	1.5
229.14279	0.8
229.19571	0.4
236.56044	0.3
239.17790	0.4
241.08482	0.5
245.13878	0.7
253.18033	1.0
257.18967	1.0
267.09357	0.4
275.20087	5.8
285.17108	0.4
293.21146	0.5
309.14804	0.3
313.14334	0.4
337.14444	0.7
349.23740	12.4
355.15570	1.0
365.15433	0.5
367.17957	0.5
367.24445	3.1
367.27274	0.6
367.28677	0.7
391.24759	0.5
419.99213	0.4
436.09985	0.3
472.69012	0.4
485.26898	0.4
490.92188	0.3
511.29276	0.4
529.33496	100.0
530.34338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48066	0.3
55.01869	0.7
55.05499	0.9
56.96563	0.3
57.03438	0.8
61.02922	0.9
67.05514	2.0
69.03434	0.9
69.07063	1.1
69.23297	0.6
69.23712	2.3
72.23387	0.3
73.02919	0.6
78.33364	0.3
79.05498	1.9
81.03421	1.1
81.07066	1.9
83.04975	0.9
83.08616	0.5
84.78372	0.3
85.02908	1.1
85.06569	0.3
86.76082	0.2
89.93708	0.3
91.03965	0.6
91.05492	1.9
93.07049	1.6
93.52283	0.3
95.04980	0.9
95.08615	1.1
97.02901	0.9
97.06544	2.3
99.04462	0.3
105.07043	1.6
107.04911	0.3
107.08617	1.4
109.10181	1.0
111.04464	0.3
117.07006	0.4
119.08590	1.1
121.10171	0.7
123.08058	0.4
123.11713	0.5
125.09654	0.3
127.03918	0.5
129.06998	0.4
131.08594	1.0
132.87535	0.3
133.10143	1.2
135.11667	0.3
143.08600	0.3
145.10110	0.5
147.04436	0.3
147.11723	0.6
149.09645	0.4
149.43971	0.3
159.11768	0.6
163.11116	0.4
200.68121	0.3
203.14230	0.4
217.15977	0.3
218.50638	0.3
229.14381	0.5
239.17885	0.5
241.08633	0.4
267.08887	0.3
275.20132	1.5
285.10278	0.5
303.19760	0.3
337.14459	0.6
349.23785	1.7
355.15350	0.5
365.15430	0.9
367.18008	0.8
367.24500	0.7
367.28284	0.8
511.32535	0.5
529.33496	100.0
530.33795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01873	24.9
55.05515	28.1
57.03451	12.4
61.02927	32.1
65.03942	2.8
67.05507	53.9
69.03428	18.2
69.07072	32.7
70.81631	6.8
71.01334	2.8
71.04986	8.2
73.02919	14.3
79.05057	4.2
79.05496	51.1
81.03429	18.1
81.07062	68.1
81.27041	2.1
83.04990	11.1
83.08614	18.7
85.02904	29.7
85.06551	3.8
87.04462	3.0
91.03960	15.8
91.05484	46.0
93.07049	43.7
95.04965	10.8
95.08612	28.9
95.21333	2.3
97.02905	24.4
97.06535	36.9
97.10162	20.5
99.04445	4.7
101.02373	3.1
103.03938	2.5
105.07036	45.0
107.04963	18.1
107.08595	41.9
109.02892	10.8
109.06510	12.0
109.10162	20.7
111.08081	5.6
117.07015	16.7
119.08581	30.0
121.06516	6.3
121.10152	22.6
123.04454	2.8
123.08051	6.9
123.11707	8.7
125.09644	19.6
127.03932	15.8
129.07001	4.5
129.09038	2.1
131.08563	22.7
133.06468	4.0
133.10126	29.6
135.08040	5.5
135.11700	9.0
137.09601	5.0
141.07043	3.5
143.08601	4.7
145.04953	4.4
145.10141	21.4
147.04414	3.5
147.08028	2.7
147.11713	16.6
149.09633	29.1
149.13251	5.6
155.08575	4.6
157.10144	5.9
159.11720	16.1
161.09618	3.6
161.13287	6.4
163.11208	9.7
165.09166	3.1
165.12805	2.7
169.10179	2.6
171.10155	8.3
171.11549	4.1
173.09680	3.3
173.11803	3.3
173.13232	6.6
175.11256	3.7
177.12746	8.2
179.14343	5.2
185.13315	3.4
187.11253	4.1
187.14819	2.8
189.11244	17.6
193.12363	2.4
197.13245	3.5
203.14384	3.1
215.14265	3.1
227.12827	18.2
229.14369	6.1
229.19586	2.6
233.15302	2.6
239.17973	7.6
245.13794	11.3
247.20653	4.2
253.17812	2.6
257.18985	17.1
269.17557	5.7
275.20068	100.0
293.13361	3.0
293.21152	14.2
297.17004	2.9
349.23746	68.6
357.15631	3.7
367.24850	56.5
391.24503	4.5
419.24191	5.4
437.25589	6.0
511.28955	4.7
529.29492	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.05513	22.8
55.85566	3.6
57.03441	10.4
57.07071	4.6
65.03945	4.0
67.05508	100.0
69.07075	15.8
71.01339	3.4
71.04997	4.4
72.86447	3.8
73.02935	5.9
79.05505	48.8
80.06434	3.3
81.07063	94.6
83.08634	10.6
85.02905	10.6
91.05472	26.7
93.07053	59.9
95.01330	7.6
95.04993	5.3
95.08614	72.7
97.02927	3.9
105.07046	21.8
107.08603	39.4
109.10168	33.1
117.07023	13.1
119.08603	21.2
121.10155	33.7
123.11722	21.8
131.08614	23.5
133.10133	14.1
135.11697	25.1
137.09628	5.0
137.13301	9.2
141.00075	3.6
141.01852	13.9
145.10107	19.3
147.04341	4.2
147.11688	11.7
149.13278	12.9
151.14868	4.3
155.08670	4.0
157.10036	4.3
159.11690	17.3
161.13315	12.7
163.14839	10.1
173.13293	16.7
175.14804	4.7
177.16423	4.8
179.14267	3.7
184.07419	7.0
187.14809	6.1
195.00337	95.5
201.16472	3.7
213.00157	7.7
216.57208	3.3
233.22615	3.3
240.25049	4.2
243.21146	25.5
261.22159	96.4
279.23233	6.0
335.25809	39.7
353.26959	72.2
419.24173	5.2
466.88281	3.4
493.27774	5.5
511.28928	6.2
529.25250	36.4
529.38007	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	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01876	10.3
55.05509	6.7
56.96569	1.1
57.03430	3.7
61.02915	2.1
67.05505	18.8
69.03426	2.6
69.07077	15.1
77.03928	1.6
77.19942	0.9
79.05495	18.1
81.03426	9.8
81.07063	24.7
83.04976	4.0
83.08607	4.2
85.02907	2.5
85.06528	1.6
91.03946	1.5
91.05483	19.1
93.07056	17.2
95.01316	4.3
95.04973	6.2
95.08619	14.0
97.02872	1.9
97.06538	13.3
97.10133	1.1
98.97599	1.6
105.07034	33.6
107.04961	10.9
107.08603	9.0
109.02934	1.7
109.06535	2.7
109.10181	5.3
111.08090	1.4
116.98609	1.2
117.07023	6.4
119.08590	15.6
121.06487	2.9
121.10131	3.7
123.04406	2.5
123.08088	1.8
123.11830	1.0
125.09658	1.7
127.03906	1.1
129.06985	1.5
129.95001	1.1
131.00192	2.5
131.08562	11.0
133.06523	1.6
133.09247	1.5
133.10143	16.3
135.08043	2.1
135.11674	4.4
137.09631	1.9
139.07504	1.4
141.06999	1.7
143.08553	2.3
144.61298	1.1
145.06496	2.5
145.10141	7.8
147.11699	6.0
149.01222	1.2
149.09630	3.1
149.13252	2.5
151.33455	1.2
153.01801	1.1
157.10152	1.3
159.11641	6.6
160.12556	1.0
161.13248	1.6
163.11157	3.7
165.09164	1.0
169.10132	1.5
171.11667	1.4
173.13289	1.5
177.12787	1.9
179.14320	6.1
183.11755	1.5
187.11107	1.9
203.10199	2.0
257.18991	4.1
275.20071	35.7
276.13913	1.2
284.12747	4.7
293.21173	2.1
349.23752	100.0
349.75009	1.3
358.16562	1.2
365.15396	14.6
365.65573	3.5
511.28403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69500	2.5
53.03936	7.5
55.01874	15.5
55.05313	2.6
55.05518	30.6
57.03444	22.2
57.07072	2.9
57.09438	2.1
59.04982	3.4
61.02653	3.3
61.02933	42.0
61.54039	2.1
65.03922	3.8
67.05509	68.5
69.03433	26.9
69.07072	25.0
69.80776	7.9
69.81186	3.3
70.06586	3.4
71.01351	4.9
71.04999	12.2
73.02914	21.9
79.05058	3.8
79.05497	51.8
81.03428	21.6
81.06582	3.8
81.07062	74.9
83.04971	8.8
83.08636	13.1
85.02425	3.7
85.02911	44.2
85.06538	15.6
86.09717	2.4
89.21339	2.1
91.03967	17.3
91.05482	53.0
93.06490	2.3
93.07050	43.9
95.04990	12.8
95.08611	38.9
97.02901	33.8
97.06513	22.3
97.10190	13.8
99.04454	7.8
99.08077	5.3
101.02389	11.5
103.03947	4.8
105.07035	45.2
107.04962	15.1
107.08605	39.5
109.02867	11.0
109.06535	11.5
109.10160	33.4
111.04462	3.4
111.08102	3.1
115.03954	3.5
117.07051	16.7
119.04919	13.2
119.08598	34.6
121.06493	5.4
121.10155	17.5
123.08074	7.8
123.11687	7.7
125.09644	13.2
127.03944	19.4
129.05466	2.8
129.07008	6.0
131.08566	23.9
133.10135	37.7
135.08035	8.4
135.11691	10.0
137.09607	8.0
139.11145	2.3
143.08620	5.0
145.04982	7.3
145.06558	2.2
145.10143	24.5
147.04420	100.0
147.11696	22.9
149.09630	15.1
149.13266	7.0
151.11195	8.7
152.53033	2.3
153.71112	2.3
155.10651	2.8
156.08965	2.0
157.10103	7.3
159.08047	3.3
159.11713	15.2
161.09613	4.9
161.13257	6.4
163.11212	10.4
165.09073	4.5
165.11435	2.6
165.12784	6.6
169.10139	4.7
169.12244	8.8
171.10234	3.7
171.11650	6.4
171.88162	2.3
173.04582	2.4
173.11760	6.4
173.13304	6.5
175.11151	3.9
177.12761	5.7
179.14342	2.7
183.06593	4.0
187.13303	19.7
187.14798	3.6
189.11243	12.9
191.14166	2.6
193.12274	2.5
197.13376	3.5
201.07552	3.9
201.12671	2.3
201.21536	2.4
227.12863	5.2
229.14293	11.4
229.19524	5.2
239.17920	6.3
245.13922	4.6
247.20566	4.8
257.19040	17.2
265.12018	2.2
269.17511	7.0
275.20081	100.0
293.21143	19.1
302.64020	2.6
333.16962	4.9
337.14224	4.0
349.23737	67.8
355.15509	2.8
367.24805	59.7
373.23828	2.7
391.24661	5.0
395.24332	3.1
398.75485	2.4
400.89838	2.5
438.25876	2.4
475.26917	3.7
493.27884	5.2
511.28787	8.6
529.22772	6.5
529.29919	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79436	1.4
53.03940	1.4
55.05523	6.5
56.96558	1.8
57.03188	1.4
57.03443	16.6
61.02919	4.1
67.05511	15.8
69.03402	1.7
69.07071	5.9
71.57301	1.9
73.02910	2.0
79.05498	17.7
81.03433	1.9
81.07069	17.6
83.04980	1.2
83.08608	3.2
85.02899	3.7
85.06554	4.4
91.03976	2.5
91.05492	20.4
93.07055	19.5
95.04974	2.9
95.08622	12.2
97.02888	1.6
97.06483	2.5
97.10208	1.7
98.97580	1.8
99.04465	4.1
105.07046	16.1
107.04978	3.2
107.08597	11.7
109.06520	5.7
109.10171	7.1
117.07009	8.7
119.08595	15.7
121.06475	1.8
121.10160	9.3
123.08090	2.0
125.09592	1.8
127.03890	1.3
129.06979	2.7
131.08589	13.1
133.10130	10.8
135.08060	2.8
135.11707	4.0
137.09656	2.5
143.08563	1.6
145.10132	8.0
147.11723	5.3
149.09651	2.5
157.10175	1.8
159.11707	5.5
173.13289	2.8
185.13278	3.4
196.55962	1.4
201.16374	3.5
203.14336	1.9
219.17458	76.0
257.18964	2.7
269.17673	1.6
275.20078	15.4
331.15750	1.6
349.17566	6.8
349.23743	100.0
367.17935	4.4
367.24686	2.1
493.28412	1.5
511.29123	3.7
529.27979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01626	2.2
55.01873	22.1
55.05512	29.4
57.03441	12.5
61.02929	29.6
65.03925	2.9
67.05177	3.3
67.05506	52.6
69.03426	17.7
69.07069	29.8
70.96178	3.8
71.04982	4.9
73.02920	13.3
79.05061	2.9
79.05493	44.9
81.03435	12.6
81.07057	42.9
83.04996	11.3
83.08615	16.0
85.02908	24.0
85.06522	3.6
91.03966	13.7
91.05481	36.6
93.07046	35.1
95.04962	7.7
95.08609	27.4
97.02896	23.9
97.06532	31.0
97.10167	21.8
99.04433	4.4
101.02341	3.0
105.06393	2.8
105.07040	38.7
107.04953	14.9
107.08593	37.2
109.02859	5.2
109.06519	4.5
109.10170	17.5
111.08068	3.2
116.09856	2.2
117.06999	11.3
119.08585	25.6
121.06486	4.2
121.10140	12.9
123.08026	2.8
123.11677	5.8
125.09638	26.1
127.03911	9.6
129.06998	3.9
131.08542	20.6
133.06476	2.3
133.10130	20.4
135.08089	5.1
135.11673	8.3
137.09637	4.0
141.07030	1.9
143.08562	3.1
143.10651	2.6
145.04926	2.3
145.06458	2.4
145.10118	18.9
147.08105	1.7
147.11685	15.4
149.09618	23.9
149.13239	3.9
151.11253	3.5
157.10106	6.8
159.11667	9.7
161.09575	4.2
161.13245	5.5
163.11198	10.5
171.10172	14.0
171.11694	5.8
173.11835	3.0
173.13264	10.1
177.12738	5.2
179.14310	1.8
183.11702	3.3
187.11183	3.4
189.11201	24.4
197.13293	2.1
227.12799	23.2
229.14423	4.8
229.19620	4.8
239.17944	4.9
245.13849	16.1
247.20601	3.9
253.17969	6.7
255.15727	2.4
257.18967	13.2
269.17392	4.9
275.20071	74.1
293.21054	5.1
299.20102	2.8
340.65018	1.6
349.23737	100.0
367.24826	29.0
391.24683	2.7
413.82370	2.1
437.25201	2.1
493.27963	2.6
511.29123	4.2
529.29926	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01874	6.3
55.05521	12.9
56.96563	6.2
57.03434	5.7
61.02921	4.8
67.05506	23.8
69.03426	2.7
69.07076	15.7
71.04987	3.3
71.56790	1.8
71.57195	2.0
73.02898	2.4
79.05493	26.5
81.03429	6.2
81.07057	25.3
82.83772	1.7
83.04990	7.9
83.08610	5.1
85.02897	5.1
85.33356	1.6
91.03959	2.2
91.05480	23.2
93.07040	20.9
95.01369	3.0
95.04977	6.2
95.08624	12.8
97.02911	3.6
97.06522	10.9
97.10169	5.5
105.07031	26.5
107.04964	10.0
107.08603	16.2
109.02873	2.7
109.10161	7.8
117.07022	8.0
119.08573	17.7
121.10126	6.2
123.11741	2.2
125.09608	3.4
125.81205	1.7
127.03945	3.0
131.08568	12.0
133.10143	18.8
135.08031	1.9
135.11708	4.6
143.08513	2.3
145.10083	9.2
147.11705	6.7
149.09624	11.5
149.13240	2.2
159.11699	6.7
161.13309	2.9
163.11186	3.7
171.11746	2.2
173.11690	1.8
177.12691	2.5
179.14345	5.4
189.11313	3.0
193.11826	1.6
229.07507	2.6
231.09007	2.0
247.08606	3.5
255.09088	3.8
257.19046	4.0
269.10559	4.2
269.17520	2.7
273.10181	1.9
275.20068	40.6
287.12262	32.5
293.21054	2.3
307.04053	1.7
323.18640	1.8
331.15903	2.8
349.17493	8.8
349.23727	100.0
367.17871	13.8
367.24838	2.3
374.15866	5.5
385.18961	2.7
408.20700	2.5
480.23779	1.9
529.26251	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01873	7.7
55.05510	12.4
56.96566	1.8
57.03432	4.5
58.36574	1.2
61.02911	3.5
67.05508	18.2
69.03415	3.2
69.07069	12.9
69.98667	3.4
73.02901	1.2
79.05492	27.7
81.03416	6.1
81.07056	22.3
83.04969	6.9
83.08608	6.2
85.02891	3.9
91.05476	21.0
93.07037	18.8
95.01287	1.9
95.04978	5.7
95.08612	12.1
97.02892	2.8
97.06525	7.1
97.10156	4.4
98.97588	1.8
102.81700	1.2
105.07040	32.1
107.04951	9.3
107.08598	16.6
109.06548	1.9
109.10172	7.3
111.08089	1.6
115.05402	1.8
117.07011	7.5
119.08590	18.8
121.10133	6.5
125.09632	4.7
127.03912	2.4
129.06992	1.9
131.08575	10.5
133.10144	12.5
135.08037	1.8
135.11673	3.4
141.07048	1.3
143.08566	1.6
145.10138	6.0
147.11685	7.7
149.09625	13.8
149.13202	1.2
157.10136	2.2
159.11716	6.2
161.13229	3.1
163.11214	1.8
164.72438	1.5
169.10086	2.6
169.12265	1.4
173.13229	2.0
177.12813	1.8
179.14328	3.3
183.17795	1.3
187.14851	1.6
189.11221	2.5
229.07455	1.5
239.17818	1.3
247.08794	1.4
247.20544	1.8
257.19003	4.6
269.10526	2.7
275.20078	38.7
287.11752	1.2
293.21152	1.7
349.16757	3.9
349.23730	100.0
350.24228	1.3
367.17850	8.8
370.83990	1.3
374.15948	2.9
385.18985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01871	5.1
55.05511	5.5
57.03436	2.6
61.02896	1.4
65.03938	0.9
67.05175	1.2
67.05507	17.1
69.03419	1.6
69.06720	1.3
69.07072	13.3
70.56956	2.5
71.04972	1.2
79.05082	0.8
79.05499	10.9
81.03421	6.7
81.07059	21.2
82.69865	0.9
83.04987	3.8
83.08607	2.5
85.02902	2.3
85.06534	1.1
91.03934	1.1
91.05489	17.2
93.07047	13.7
95.01340	4.6
95.04993	4.1
95.08050	1.1
95.08606	12.4
97.02882	1.6
97.06539	11.0
97.10172	1.2
99.08022	0.9
101.88781	0.9
105.07035	25.6
107.04956	9.1
107.08591	7.8
109.06509	2.3
109.10181	4.0
111.08045	0.9
117.07028	6.0
119.08589	13.9
121.06505	0.8
121.10135	2.8
123.08038	2.3
125.09632	1.3
127.03915	1.5
129.07002	1.1
131.08588	7.1
133.06471	1.1
133.10133	13.2
135.08052	1.3
135.11685	3.3
141.07007	0.9
145.06464	1.4
145.10127	5.8
147.11693	6.1
149.09595	2.6
149.13268	2.3
151.11162	1.4
157.10139	1.0
159.11678	5.0
161.13243	1.9
163.11246	1.6
165.09059	1.1
171.11647	1.1
173.13237	1.7
177.12747	1.2
179.14302	6.8
187.11130	1.8
197.94113	0.8
257.18921	2.3
273.12479	1.0
275.20068	30.9
276.66907	0.9
293.21085	3.0
349.23740	100.0
350.23621	0.9
367.24493	0.9
511.28693	2.4
541.11438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31706	0.4
53.68686	0.5
55.01878	0.6
56.05054	0.4
57.03423	0.5
60.04521	0.5
65.03957	0.5
67.05496	0.7
67.18427	0.4
69.03404	1.0
70.06277	0.5
70.06598	4.1
71.56909	0.6
72.08167	0.8
79.05502	0.6
81.03417	1.5
83.04964	1.0
84.04494	1.0
84.08147	1.4
85.02909	1.7
86.09690	0.8
91.05470	0.6
95.04938	0.7
97.02896	0.7
98.97591	0.8
107.04932	0.7
109.02885	0.6
110.07118	0.4
110.97562	0.5
111.04456	1.1
114.46867	0.6
115.05511	0.6
116.98634	0.5
118.06528	0.6
119.04946	0.4
123.04445	4.1
127.03933	1.0
129.06998	1.3
129.10254	0.6
130.06534	3.2
131.06866	1.0
137.02353	16.2
137.03401	1.1
144.08104	2.0
145.08467	1.1
146.06004	1.9
147.04379	3.8
154.06519	6.8
155.07254	1.9
156.08084	6.1
158.06000	1.5
159.04362	0.5
160.07578	1.2
167.07277	1.8
170.06055	6.0
171.06686	0.7
171.39156	0.5
172.03987	1.1
172.07559	2.1
173.07973	0.8
174.05553	0.8
182.06033	11.6
183.06787	4.9
184.07603	4.2
186.05566	0.6
187.08710	1.4
188.07144	0.6
190.08640	1.4
191.08902	1.6
193.06525	0.4
198.05428	0.5
206.09665	0.6
210.05464	1.2
216.09671	0.5
217.09009	0.9
218.09628	5.5
219.01839	0.7
219.08101	1.4
220.07692	0.8
227.07976	0.5
228.06256	0.8
228.08182	1.2
230.09587	0.6
234.02234	0.5
234.09145	1.1
236.07045	0.7
236.10768	0.5
237.07765	0.5
241.08926	0.5
245.08478	0.7
246.09154	9.2
247.07616	2.0
249.07811	1.7
252.10213	1.9
256.07574	0.9
257.08347	0.6
258.09189	0.6
262.08710	1.8
263.09357	0.6
264.10193	18.9
265.07419	0.7
266.11768	1.3
274.08658	5.1
275.09427	0.9
276.10217	1.6
278.08057	1.2
280.09650	2.5
290.08182	0.9
291.08936	1.5
292.09686	100.0
293.09744	0.7
294.05078	0.5
294.11304	1.0
302.08099	4.2
305.07010	1.1
308.09296	0.8
309.07654	0.9
309.12369	1.3
319.10727	1.3
320.09180	26.5
331.10016	0.7
337.07166	2.5
337.11832	5.4
338.10229	6.9
345.11288	0.5
349.11102	0.6
397.60687	0.5
484.16116	1.9
494.14407	1.9
511.17575	2.8
512.15509	11.3
529.18152	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	528.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64830	0.2
55.05516	0.4
57.03426	0.2
60.04490	0.3
61.02914	0.6
67.05488	0.3
69.03406	0.7
69.62117	0.3
69.62460	1.4
70.06598	1.0
72.08152	0.3
73.02898	0.5
80.05009	0.3
81.06979	0.3
84.04489	0.2
85.02886	0.5
85.31809	0.2
86.09683	0.5
91.03965	0.2
91.05471	0.7
92.05015	2.1
93.05756	0.5
94.06544	0.6
95.08585	0.3
97.02869	0.7
98.21487	0.3
98.76017	0.2
101.02354	0.4
105.07010	0.3
106.06540	1.0
117.05730	0.6
118.06548	8.0
119.07354	1.0
120.08079	0.6
130.06505	0.6
134.09619	0.5
144.08028	0.4
146.09612	0.3
162.09145	8.3
163.09921	2.0
164.10730	0.3
173.09045	0.3
174.07823	0.5
176.10689	0.6
202.15912	2.5
230.15407	17.1
248.16451	1.1
274.17899	0.6
292.19080	30.0
293.19388	0.3
304.19153	1.1
322.20148	0.7
330.25665	0.4
345.45850	0.2
350.23032	0.2
361.02325	0.8
366.22754	5.8
366.27405	0.4
368.24072	1.8
373.02588	0.3
396.23483	0.4
403.03311	1.4
421.04404	0.4
433.04486	0.5
445.04254	0.4
510.17184	0.2
510.31284	1.0
528.27997	100.0
529.28491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41817	0.2
55.05501	0.6
55.88931	0.2
57.03438	0.6
57.36725	0.3
59.09652	0.3
61.02917	1.1
69.03416	0.9
69.72569	1.4
70.06601	1.9
71.04984	0.3
72.08150	0.5
73.02911	1.7
79.05498	0.4
81.03410	0.4
81.07057	0.3
84.04518	0.4
84.08115	0.2
85.02912	1.4
86.09704	0.9
91.05472	1.2
91.42463	0.3
92.05013	1.7
93.05766	0.4
93.07047	0.4
94.06571	0.5
96.08125	0.5
97.02894	1.0
98.21510	0.3
101.02412	0.4
104.51503	0.3
106.06564	1.0
110.09697	0.4
116.60326	0.2
116.61781	0.3
117.05775	0.6
118.06541	6.6
119.07310	0.6
120.08112	1.1
127.03944	0.4
130.06561	0.8
134.09598	0.4
138.09192	0.5
144.08115	0.3
146.09665	0.4
147.04408	0.4
162.09154	8.6
163.09903	2.1
164.10739	0.4
166.08640	0.6
173.07143	0.3
174.07683	0.4
176.10689	0.4
186.47795	0.3
202.15915	2.3
230.15414	17.0
242.14502	0.3
248.16348	0.7
274.18054	0.3
292.19073	11.2
301.12027	0.4
304.19144	1.2
322.20139	1.2
331.10489	0.4
332.22107	0.4
366.22781	10.6
466.19894	0.6
528.28064	100.0
529.28430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.9
52.55462	3.2
53.03942	13.7
53.18947	3.3
55.01875	18.3
55.05518	32.4
56.96553	5.0
57.03440	37.1
57.07069	3.0
59.04994	4.4
61.02924	26.1
65.03925	7.1
67.05176	6.4
67.05508	88.8
69.03433	40.0
69.07076	27.7
69.24673	3.6
69.24965	32.6
71.01340	3.9
71.04993	16.4
72.08183	4.3
73.02914	17.2
79.05496	67.3
81.03425	57.1
81.07064	100.0
83.04994	32.8
83.08629	17.4
85.02908	40.2
85.06528	10.3
87.04473	4.3
91.03944	14.1
91.05480	76.0
93.07045	60.7
95.04968	34.2
95.08614	40.1
97.02901	37.9
97.06522	15.6
97.10159	13.8
99.04445	15.6
99.08075	6.4
101.02396	5.2
103.03941	14.8
105.04527	3.6
105.06375	5.8
105.07037	62.9
107.04950	30.3
107.08598	51.6
109.02883	19.0
109.03542	3.3
109.06560	15.7
109.10165	57.7
109.37919	3.1
111.04451	8.2
111.08081	7.1
117.07012	20.0
119.08592	25.3
120.71088	3.3
121.06506	14.7
121.10121	18.4
122.13951	3.2
123.04460	6.4
123.08073	13.4
123.11671	9.3
125.09633	12.3
127.03909	27.5
127.07569	4.5
128.06216	4.9
129.05470	7.0
129.06996	12.0
131.00142	3.9
131.08578	28.7
133.06532	16.3
133.10139	85.6
135.08070	19.2
135.11705	16.2
137.09596	7.8
143.08540	11.3
145.10126	13.5
146.68103	3.6
147.04411	3.7
147.08058	11.4
147.11667	10.6
147.79747	3.3
149.09598	18.6
151.11179	45.5
157.10124	6.0
159.08038	8.4
159.11714	10.5
161.09637	15.6
161.13350	5.0
163.11230	9.1
165.12755	4.1
169.12276	14.1
171.11649	8.0
173.04453	9.4
173.09677	5.8
175.11211	11.6
177.09102	8.9
177.12666	4.7
183.06522	8.8
187.11336	3.9
189.11238	5.7
189.12834	6.5
193.12297	9.6
197.11627	4.7
201.07523	5.8
215.12767	10.6
223.13281	9.7
227.12912	5.6
227.17897	3.6
233.15401	5.4
253.14360	34.2
255.17465	6.8
257.07245	3.4
263.20074	5.4
269.13828	4.7
271.15247	4.5
273.18484	46.2
283.15390	5.4
291.19601	52.4
295.15179	4.3
347.22141	23.1
357.15564	4.1
365.15643	6.9
365.23215	67.9
381.20187	3.5
389.23248	3.9
435.23669	9.1
491.26279	4.1
509.27185	11.2
527.28577	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30584	0.9
53.03952	6.5
55.01870	10.6
55.05513	30.6
56.96558	2.6
57.03440	17.2
59.04991	1.7
61.02930	16.0
65.03928	2.7
67.05508	39.4
69.03078	1.9
69.03430	26.5
69.06731	1.8
69.07074	29.7
70.14753	2.2
70.15174	3.3
71.01346	3.3
71.04978	4.4
73.02929	9.9
79.05496	36.3
81.03422	37.2
81.07059	36.1
81.51807	1.0
83.04983	10.7
83.08214	1.2
83.08627	15.3
85.02438	1.7
85.02912	27.6
85.03429	1.7
85.06511	2.3
87.04482	2.3
91.03962	5.3
91.05484	28.7
93.07047	30.4
94.04207	1.1
95.04976	16.2
95.08608	18.2
97.02893	27.6
97.06532	8.8
97.10168	18.7
98.20834	1.7
98.97572	3.1
99.04465	6.1
99.08086	2.0
101.02373	6.2
103.03941	3.2
103.05474	1.2
105.07030	23.6
107.04967	12.0
107.08598	20.6
109.02889	9.6
109.06537	6.5
109.10155	14.9
111.04436	4.0
111.08075	4.0
113.05984	2.0
115.03875	1.8
115.05475	1.8
117.07018	11.5
119.04933	2.2
119.08599	18.7
121.06554	5.1
121.10158	10.8
123.04422	3.2
123.08085	10.5
123.11683	3.5
125.08773	1.5
125.09633	18.3
127.03935	14.7
127.07565	2.5
128.06207	1.5
129.05498	2.5
129.07007	7.4
131.04912	1.4
131.08580	12.5
133.06517	6.1
133.10124	11.5
134.07156	1.0
135.08029	6.7
135.11681	3.9
137.05946	1.6
137.09633	4.9
137.80739	1.1
141.06953	1.8
142.07777	1.4
143.08549	5.1
145.04929	3.2
145.06453	3.4
145.10121	10.2
147.04286	1.4
147.08037	9.3
147.11685	6.2
149.09625	7.6
149.13231	3.6
151.07507	2.4
151.11180	2.9
153.09065	2.3
153.12749	1.8
155.08527	2.6
155.10684	1.1
157.10132	5.6
159.07954	2.4
159.11679	4.3
161.09595	5.9
161.13304	1.7
163.11227	5.2
165.09082	4.1
165.12755	1.3
169.10153	1.2
169.12291	1.3
171.10226	2.2
171.11670	2.8
173.04494	3.7
173.09550	2.1
173.11745	1.8
173.13205	1.6
175.11150	5.1
177.12766	2.6
179.10587	1.4
181.12212	2.0
183.06551	2.7
183.10266	1.3
185.09651	1.3
185.13235	2.3
187.11125	1.5
189.11241	13.5
189.12737	2.3
193.12247	11.1
193.60248	1.1
195.13828	2.2
199.11157	1.3
201.07527	2.0
205.12231	3.2
209.11673	1.4
211.13249	8.4
217.15839	1.5
223.13295	17.0
227.12726	8.0
227.17834	1.2
229.12234	1.3
229.14244	2.1
235.13135	1.8
237.16319	1.2
245.13841	1.8
245.18968	3.7
249.14880	4.1
253.14304	1.4
255.17424	4.4
256.38196	1.1
263.20068	2.2
267.15921	4.1
269.17517	1.4
273.15430	1.9
273.18500	26.6
283.15399	1.7
285.17007	1.3
291.19550	100.0
295.15359	1.2
297.16888	1.2
303.15915	1.1
315.19495	1.5
321.17456	1.2
344.10873	1.3
347.22253	13.0
349.09308	1.3
365.23215	44.0
383.24350	1.4
393.22934	1.4
407.23907	1.9
429.21045	2.0
435.24008	1.6
441.21722	2.0
459.22632	1.3
473.25467	2.6
483.22858	2.4
491.26099	2.9
509.27283	6.9
527.28601	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01878	7.4
55.05271	1.5
55.05516	22.2
57.03440	11.0
59.05001	1.6
61.02930	16.7
65.03934	2.8
67.05508	26.5
69.03077	1.4
69.03433	21.5
69.06724	1.7
69.07072	23.2
69.54504	7.5
71.01351	2.8
71.04985	4.4
73.02628	0.8
73.02918	9.5
79.05496	25.2
81.03423	28.4
81.07059	26.4
83.04990	7.2
83.08635	11.2
85.02422	1.8
85.02908	20.8
85.06525	1.2
91.03952	6.2
91.05485	17.3
93.07045	18.0
95.04975	11.3
95.08056	1.3
95.08613	11.5
97.02894	22.8
97.06536	5.5
97.10180	18.3
99.04465	5.8
99.08078	1.4
101.02381	6.4
103.03934	2.9
105.07040	12.4
107.04951	9.5
107.08591	14.2
109.02896	7.7
109.06505	4.3
109.10162	8.5
111.04443	3.5
111.08067	4.0
115.03920	1.5
117.07034	7.9
117.48338	1.1
119.04948	1.7
119.08593	12.4
121.06549	6.2
121.10144	8.9
123.04417	1.4
123.08065	7.2
125.09645	15.9
127.03931	10.8
128.06265	1.0
129.05501	2.1
129.07030	4.7
131.08566	8.4
133.06477	3.0
133.10150	5.8
134.07300	0.9
135.08069	5.3
135.11684	3.7
137.09605	3.7
143.08569	2.4
145.04951	2.0
145.06505	1.8
145.10121	6.5
147.08038	9.7
147.11702	5.5
149.09625	3.1
151.07539	1.5
153.09180	2.0
157.10107	3.7
159.08070	1.8
159.11678	3.2
161.09619	2.8
163.11186	3.0
165.09161	1.6
170.94910	1.0
171.08069	1.2
171.10246	1.2
171.11620	1.7
173.04428	2.8
173.09534	0.9
173.13200	1.3
175.11186	3.0
177.12788	2.2
181.12196	1.6
183.06522	4.0
189.11209	14.6
189.12730	1.7
193.12260	8.1
201.07585	1.3
205.12259	2.4
211.13289	6.3
213.14819	1.2
221.11740	1.5
223.13303	15.6
227.12775	6.4
231.13744	1.2
235.13332	1.1
237.16325	1.2
245.13783	1.2
245.18961	1.6
249.14920	2.6
255.17419	2.6
267.15952	1.6
273.18506	20.0
291.19553	100.0
309.20383	1.5
315.19522	1.2
347.22214	6.6
365.23245	36.0
389.23218	1.3
393.22696	1.6
407.24258	1.2
429.21347	1.8
435.23309	1.1
455.92194	1.0
473.25656	1.7
491.26486	2.2
509.27441	5.0
527.28552	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01882	10.1
55.05513	28.0
56.96561	2.6
57.03433	18.8
61.02934	19.7
66.77980	2.1
67.05505	46.2
69.03431	32.6
69.07074	29.1
71.01331	3.4
71.04987	3.8
73.02931	11.0
79.05499	37.5
81.03427	47.1
81.07063	47.0
83.04975	15.3
83.08628	17.4
85.02913	36.9
85.06520	2.9
87.04462	3.0
91.03947	7.1
91.05492	33.9
93.07043	34.8
95.04965	21.9
95.08622	20.8
97.02303	2.9
97.02898	32.7
97.06525	11.4
97.10173	15.5
98.21449	4.7
99.04450	7.9
101.02364	7.2
101.05974	2.0
103.03935	3.3
103.05444	2.8
105.07037	32.4
106.14033	2.3
107.04958	15.4
107.08601	25.8
109.02899	12.1
109.06518	10.3
109.10159	24.7
111.04439	5.5
111.08084	6.4
111.20015	1.6
113.06035	2.3
115.03894	3.0
115.07603	1.8
117.05551	2.1
117.07021	13.1
119.04929	2.5
119.08588	19.1
121.06507	7.8
121.10172	15.0
121.68134	1.7
123.04389	3.5
123.08044	11.3
123.11729	5.8
125.09655	16.4
125.57723	1.9
127.03918	17.3
129.05475	3.3
129.07016	6.4
131.04977	2.5
131.08560	15.9
133.06480	7.6
133.10133	25.2
135.08054	14.3
135.11678	6.0
137.09636	4.6
139.07532	2.1
141.07025	2.0
143.08546	5.0
145.04941	5.9
145.06500	3.4
145.10161	11.2
147.08009	9.4
147.11682	7.4
149.09645	10.3
151.11171	12.8
153.09102	1.9
157.10159	4.5
159.08018	2.4
159.11667	4.8
161.09592	9.4
161.13235	2.8
163.11195	4.7
165.09174	3.4
167.10696	2.0
169.12251	2.6
171.10258	2.0
171.11691	4.7
173.04532	3.5
173.13245	2.1
175.11159	6.2
177.09142	2.5
177.12660	2.5
179.10733	3.0
181.12160	2.6
183.06540	3.5
189.11235	11.6
189.12798	3.3
191.10648	3.4
193.12268	10.4
199.11214	3.2
211.13371	10.0
223.13258	14.5
227.12833	6.5
235.13393	2.6
237.16428	2.8
245.19110	4.0
249.14879	7.8
253.14352	10.3
255.17368	2.6
267.15884	3.3
269.13785	2.9
273.18515	38.2
285.16882	2.9
291.19543	100.0
315.19363	2.1
325.14142	4.7
347.22006	20.5
365.23230	51.8
389.23285	2.3
407.24258	2.7
429.21262	3.4
473.25510	3.3
491.26257	4.6
509.27362	9.1
527.28491	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03938	2.6
54.10214	0.7
55.01871	4.1
55.05266	1.2
55.05515	17.8
56.96555	2.1
57.03443	5.9
59.55622	0.6
61.02644	0.8
61.02934	13.3
65.03931	2.4
67.05178	1.4
67.05510	22.7
69.03429	6.4
69.06790	0.6
69.07076	8.1
70.06589	1.5
71.04985	2.9
71.57298	0.9
72.08135	0.9
73.02927	4.9
76.24304	0.7
79.05497	26.8
80.87436	0.8
81.03418	5.9
81.07061	24.7
83.04978	5.4
83.08633	6.4
84.08138	1.9
85.02905	12.6
85.06514	2.0
86.39748	0.7
91.03474	0.9
91.03970	6.9
91.05483	34.9
93.06472	1.4
93.07048	23.6
95.04974	5.6
95.08609	18.1
95.43591	0.7
97.02906	9.3
97.06543	6.8
97.10168	3.7
98.97594	1.1
99.04455	1.4
101.02364	1.2
103.03963	1.3
103.05447	1.3
105.03439	0.8
105.07035	28.3
107.04966	5.3
107.08593	11.2
108.08116	0.8
109.02888	1.6
109.06537	6.9
109.10162	6.9
110.09679	1.9
111.04436	2.0
111.08085	3.4
115.05453	3.2
116.06211	2.1
117.06229	1.4
117.07028	21.6
119.04926	2.6
119.08591	21.3
121.06507	4.6
121.10149	7.0
123.08086	5.6
125.05882	1.1
125.09613	3.1
127.03902	2.3
128.06223	9.1
129.07007	15.8
130.07777	2.7
130.08653	0.8
131.08574	40.5
133.06485	5.2
133.10138	11.4
135.08058	3.5
135.11679	3.1
137.09668	2.5
139.11174	2.1
141.06992	5.6
142.07796	3.5
143.08571	43.3
143.37531	0.7
144.09325	0.8
145.04964	1.0
145.06476	2.9
145.10127	42.1
147.04445	3.6
147.08058	7.4
147.11676	4.2
149.09596	3.5
149.13266	1.4
151.07547	1.7
151.11194	1.2
155.08557	4.2
157.06464	0.8
157.10144	14.8
159.08046	2.6
159.11705	11.2
161.09637	8.9
161.13326	1.2
163.03908	2.1
163.11163	4.1
165.07036	1.5
165.09070	1.0
167.08589	2.6
168.09430	1.0
169.10144	8.8
171.08070	1.6
171.11665	11.7
173.09641	3.0
173.13342	1.6
175.11179	5.9
177.12738	2.8
180.09319	0.8
181.10126	6.5
182.10907	0.8
183.11694	5.2
185.09641	2.1
185.13284	6.0
187.11230	1.4
189.11252	0.9
189.12746	1.4
191.10681	1.7
195.11703	12.4
197.13280	1.7
199.11215	2.2
199.14877	2.1
201.12781	3.0
201.15950	1.0
203.12732	1.0
209.13287	2.2
211.14926	1.6
213.12717	2.5
215.12741	1.0
217.08676	1.8
217.15793	1.2
227.17943	4.4
229.14368	1.7
234.57983	0.8
237.16437	13.0
245.19022	3.2
255.17450	16.0
273.18503	44.9
291.19547	3.3
327.26358	1.4
328.26855	0.9
329.21222	0.9
347.22177	100.0
348.22595	0.9
355.30066	0.9
365.23257	6.7
395.11227	0.9
439.11731	1.0
471.49747	0.7
509.27368	1.6
527.16296	1.9
527.31158	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21035	2.1
53.03947	13.0
55.01883	11.5
55.05512	23.0
56.96573	4.3
57.03437	27.1
59.04982	2.5
61.02927	24.5
65.03955	2.7
67.05509	78.6
69.03078	3.0
69.03432	38.2
69.07073	19.1
70.49484	5.0
70.49880	3.5
71.01360	5.9
71.04993	8.7
73.02915	17.8
77.95726	2.3
79.05497	54.1
81.03415	46.9
81.07061	78.6
83.04991	21.1
83.08121	1.7
83.08595	10.3
85.02911	41.5
85.06534	7.9
87.04472	2.9
87.12089	1.9
91.03960	12.7
91.05483	80.2
93.07045	50.8
95.04959	20.6
95.08603	32.3
97.02901	37.6
97.06540	10.9
97.10165	2.4
99.04444	13.7
99.08111	6.7
101.02361	6.2
103.03955	5.6
105.07033	66.9
107.04956	16.7
107.08599	54.9
109.02885	17.9
109.06519	14.6
109.10161	57.2
111.04440	6.5
111.08073	7.6
115.03917	4.0
116.06191	1.9
117.07021	13.5
119.04966	2.9
119.08582	17.2
121.06483	12.6
121.10155	13.7
123.04411	3.9
123.08065	8.0
123.11709	11.0
125.09618	3.8
127.03921	27.3
127.07555	3.8
128.06270	3.8
129.05490	6.6
129.07019	5.1
131.08574	19.8
133.06505	9.1
133.10136	100.0
135.08052	14.4
135.11682	6.7
137.06001	3.0
137.09602	4.2
141.07025	2.9
143.08572	7.6
145.05028	3.5
145.06476	2.6
145.10123	12.2
147.08090	5.9
147.11688	9.0
149.09641	15.0
149.13246	2.6
151.11194	65.7
155.08549	3.0
157.10147	5.8
159.08066	5.2
159.11700	4.3
161.09607	11.2
161.13286	2.7
163.11205	4.0
165.05415	3.0
165.12691	2.5
169.12294	14.0
171.11703	4.3
173.04442	5.8
173.09695	3.7
173.50897	2.2
175.11203	7.9
177.09091	5.7
179.10661	4.7
183.06538	4.7
185.13365	5.4
191.85036	1.9
193.12297	5.0
195.07010	1.9
195.11716	2.2
197.11769	4.6
201.07607	2.8
211.13249	5.7
215.12778	17.6
219.02707	2.0
221.03421	2.1
223.13339	2.2
227.17892	4.9
233.15312	3.7
243.12363	2.4
245.19043	5.2
251.12926	3.2
253.14362	49.1
255.17409	3.6
263.20105	5.9
266.42966	2.1
267.15970	2.9
269.13828	7.4
271.15430	11.4
273.18512	31.5
283.15335	2.7
285.16830	6.2
291.19574	28.2
295.15350	3.9
299.14877	2.5
306.32428	2.3
313.16461	3.5
337.16663	2.7
347.15268	6.1
347.22083	20.2
365.16354	3.4
365.23221	49.8
387.44461	2.1
389.22952	2.8
393.22983	2.4
397.18478	3.2
415.19595	3.4
473.25745	2.2
509.27032	6.2
527.28381	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72915	0.4
53.03938	1.3
55.01877	0.5
55.05512	0.9
56.96574	0.7
57.03435	1.1
61.02900	0.7
63.76208	0.5
67.05509	2.6
69.03422	1.8
69.07053	1.5
70.15919	2.0
73.02898	0.6
79.05501	2.8
81.03419	1.9
81.07064	2.6
83.04953	0.7
85.02914	1.8
86.09685	0.6
91.05463	2.0
93.07046	2.6
95.04963	1.9
95.08611	1.0
97.02878	1.0
97.06529	2.6
98.20770	0.5
105.07020	2.5
107.04966	1.1
107.08589	1.7
109.06539	0.9
109.10139	0.8
117.07024	0.7
119.04986	0.6
119.08587	1.5
121.06503	1.0
121.10156	1.3
123.11688	0.5
127.03903	1.0
131.08546	0.9
133.10100	1.1
135.08032	0.9
135.11713	0.5
137.05928	0.6
145.10144	1.2
147.04408	1.9
147.07941	0.5
147.11702	0.6
157.10109	0.7
159.11746	0.7
161.09601	0.9
163.03854	0.7
163.11238	1.1
173.09679	0.5
215.06982	0.6
227.05229	0.9
245.06337	0.6
251.14874	0.5
259.09573	1.3
261.18170	1.0
273.18500	1.9
279.19437	3.4
291.19547	1.5
321.19864	0.6
347.22189	1.8
365.23227	2.5
381.30963	0.8
395.11227	0.8
407.11441	1.0
423.23206	2.2
441.24603	8.4
449.12170	0.8
465.24719	5.0
483.25668	14.3
509.15662	1.1
509.23553	18.1
509.30707	1.1
527.24622	100.0
528.25201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
53.41225	0.7
55.01859	1.9
55.05516	4.4
56.05036	3.3
56.96568	0.7
57.03426	3.7
57.07048	2.1
58.02963	0.7
58.06594	1.2
58.35392	0.6
59.05006	0.9
60.04528	23.8
61.02906	2.5
61.04823	0.9
65.03927	1.1
67.05221	0.7
67.05502	7.3
68.05025	3.8
68.05816	1.1
69.03432	12.3
69.07064	3.3
69.70521	4.1
70.03742	2.2
70.06601	5.2
71.01315	0.9
71.04993	3.7
72.04493	3.0
73.02919	3.8
74.06070	1.7
79.05499	4.9
80.04649	1.0
80.05024	11.1
81.03400	3.0
81.05328	2.9
81.07064	7.3
82.06583	4.7
82.07362	1.9
83.04963	2.4
83.06902	1.1
83.08609	1.9
84.04494	2.9
84.08135	1.7
85.02431	1.1
85.02905	17.6
85.06534	1.8
86.03210	2.1
86.06058	3.0
86.09695	1.5
87.04450	1.7
88.03984	0.7
90.05534	3.1
91.03931	1.2
91.05463	4.0
93.07042	4.4
94.06568	10.4
94.07157	1.2
94.07353	0.9
95.06886	3.3
95.08596	5.6
96.04485	1.8
96.08121	1.4
96.08925	1.6
97.02286	1.0
97.02891	17.9
97.06518	1.2
98.03225	3.8
98.06048	2.3
98.06778	0.5
98.21511	1.0
98.97591	1.7
99.02668	0.8
99.03346	1.1
99.04446	1.5
101.02355	1.6
102.05573	0.9
105.03409	0.8
105.07021	1.9
106.06562	1.7
106.07311	1.1
107.04930	1.2
107.08575	2.9
108.08093	1.4
108.08800	0.7
109.02908	1.1
109.10164	1.8
110.06010	2.1
110.10487	0.9
111.08086	1.5
112.08469	0.8
113.02380	1.2
114.05544	1.4
115.03921	1.3
116.07106	1.5
116.98619	0.8
117.05719	1.1
118.06532	4.5
119.08577	1.4
120.08081	2.4
121.10139	2.1
122.10445	1.0
124.07516	0.8
127.03925	2.1
128.07059	0.7
129.10204	0.9
130.05124	0.6
131.08569	0.7
132.04453	5.9
132.06561	13.4
133.02826	1.7
133.05229	5.5
133.06889	1.7
133.10205	0.9
134.03639	1.0
134.05983	1.7
134.09653	0.8
135.11679	1.2
136.07579	1.1
144.04485	1.0
145.05119	2.3
145.07590	2.6
146.06013	17.6
146.08385	2.7
147.04375	1.5
147.06789	2.9
148.11171	0.9
149.60635	0.7
155.05989	4.1
156.06827	3.5
157.05205	2.6
158.06035	0.8
158.99629	1.9
159.04427	1.7
159.05617	1.2
160.03949	7.4
161.02452	0.9
161.04703	3.3
162.05518	4.1
171.05521	1.0
172.06302	3.1
173.07106	69.4
174.07889	100.0
191.03452	0.9
219.01820	1.0
222.09154	1.8
223.48715	0.7
226.21616	2.0
233.05801	0.8
234.09210	1.2
236.07071	0.8
236.20207	1.6
237.20525	1.7
238.20959	1.0
243.08922	2.3
244.07521	1.2
245.21060	1.5
250.08675	3.6
250.21654	2.0
251.22217	1.2
253.23636	1.0
254.21223	2.5
255.21461	2.8
256.21811	0.8
260.07144	2.0
261.10220	0.9
262.08694	1.4
262.21732	5.9
263.21994	3.7
264.23355	1.8
265.23663	1.6
268.22742	1.9
269.23114	2.1
272.07132	1.1
274.21692	2.9
275.22067	3.1
276.22855	2.1
277.23251	0.9
278.08051	6.3
280.22769	0.7
281.23026	1.7
286.23746	1.9
288.06564	0.7
289.09741	1.1
290.08209	3.0
292.22723	4.0
293.23007	4.3
294.23724	1.6
296.09183	1.7
300.06567	0.7
306.07590	22.9
307.08221	1.4
308.09195	2.0
309.06464	0.9
310.23764	4.3
311.24197	2.5
312.24890	1.5
313.25348	1.4
317.09244	5.3
318.07513	2.9
318.10138	3.0
324.08405	12.6
324.12311	3.9
325.11789	1.3
328.24847	8.0
329.25180	8.6
330.25964	13.9
331.26404	8.7
333.12009	1.5
335.10260	25.1
336.08737	1.8
346.25909	11.8
347.26273	11.3
348.26675	15.3
349.27145	7.0
353.11270	3.2
364.26941	32.5
365.27292	24.1
376.26233	0.8
407.28366	1.0
452.13528	2.4
480.13254	1.2
490.30096	1.1
491.30252	2.2
498.13962	8.3
499.17209	0.9
506.29764	1.0
507.30075	1.6
508.30493	35.0
509.15549	16.3
509.30847	39.9
510.14365	1.2
526.31958	42.5
527.16705	21.5
527.32312	72.1
529.84619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77537	0.6
55.01868	0.9
55.05491	1.8
56.05028	0.7
56.96541	0.8
57.03424	1.6
60.04530	6.9
61.02912	0.9
67.05502	4.4
68.05834	0.6
69.03433	4.8
69.07063	1.7
70.03739	0.6
70.06596	7.8
71.04980	1.4
71.57205	1.2
72.04504	0.7
72.08153	1.4
73.02914	1.8
79.05470	2.0
80.05020	4.1
81.03397	2.1
81.05347	1.2
81.07053	4.6
81.81081	0.6
82.06567	1.4
83.04985	1.8
83.08569	0.7
84.04498	1.8
84.08134	2.5
85.02902	4.4
86.03191	0.8
86.09697	2.6
91.05473	2.6
92.05817	0.8
93.07045	2.4
94.06547	4.7
95.04967	0.8
95.06884	0.9
95.08597	2.3
96.08109	0.8
97.02896	7.7
97.06532	2.1
98.03217	1.9
98.06023	1.1
98.97571	2.0
101.02353	1.2
105.07025	1.1
106.06509	1.5
107.04956	0.8
107.08591	1.7
109.06556	0.7
109.10157	1.3
110.06102	0.8
110.07140	1.0
111.04441	0.8
115.03926	1.8
116.07082	1.8
117.05788	0.9
118.06525	3.3
119.08558	0.8
121.02882	0.8
129.10219	1.3
131.08531	0.8
132.04451	5.6
132.06526	1.1
133.02841	1.6
133.05251	4.4
134.03651	0.9
134.06001	1.9
140.82294	0.6
144.04414	1.2
145.05206	3.7
145.07613	4.1
146.06003	18.9
146.08362	2.8
147.04399	2.4
147.06793	3.9
149.01251	0.7
155.06041	4.6
156.06845	3.1
157.05219	3.6
159.04378	1.1
159.05534	2.2
160.03928	7.8
161.02400	1.7
161.04703	4.3
162.05464	5.1
163.03880	1.3
172.04005	1.0
172.06346	4.6
173.07109	75.1
174.07892	100.0
175.08534	0.9
191.03519	0.7
222.09175	1.4
232.07610	0.8
234.09116	2.0
236.20053	1.8
249.07990	0.9
250.08704	2.6
252.09738	1.1
254.21237	0.8
255.21506	1.0
256.21762	0.9
258.05472	1.1
260.07153	2.5
261.10382	1.2
262.08487	1.0
272.07068	0.8
274.21695	1.1
275.22052	2.2
276.22391	0.8
278.08118	5.3
288.06418	1.2
289.09784	1.3
290.08081	2.5
291.11227	1.0
292.22794	1.0
293.23053	1.3
294.23517	1.3
300.06403	0.9
306.07605	23.8
307.10944	1.1
308.09128	1.6
309.06299	1.4
312.24716	0.7
317.09225	6.3
318.06937	3.1
318.10556	1.7
324.08539	11.4
328.24860	3.8
329.25189	6.4
330.25647	7.6
331.26199	3.5
333.12067	2.6
333.62210	1.1
335.10278	29.5
336.08606	1.4
346.25854	3.1
347.26230	5.4
348.26620	7.3
349.26904	4.0
353.11392	3.5
364.27020	1.4
405.65121	0.7
452.13342	5.5
463.14899	1.5
480.12814	1.5
491.14655	0.9
492.15338	1.1
498.13962	9.4
506.30258	0.8
507.29901	1.2
508.30371	20.8
509.15588	18.4
509.30695	22.2
510.14102	1.1
526.31659	11.8
526.94629	1.3
527.16644	29.8
527.31824	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15201	1.3
53.03946	3.1
54.34812	1.3
55.01873	2.9
55.05513	4.0
56.05031	3.2
56.15683	1.4
57.03444	8.0
60.04539	9.1
61.02933	12.1
62.06091	19.2
67.05499	9.1
68.05023	3.4
69.03433	16.1
69.07063	4.2
69.39378	1.5
70.06589	10.0
71.04995	6.1
71.56663	1.4
71.57001	1.4
72.04509	8.0
72.08167	3.5
73.02927	7.2
74.06075	3.1
79.05506	9.2
80.05014	7.3
81.03426	22.4
81.07056	10.2
82.06585	3.9
83.04998	2.7
83.08624	8.0
84.04497	3.0
84.08152	5.4
85.02913	21.9
85.06575	1.7
86.06080	2.5
86.09721	3.3
87.04493	3.1
88.07635	3.4
90.05524	1.6
91.03976	8.2
91.05489	6.6
93.07047	8.0
94.06584	6.4
95.04966	9.0
95.08633	6.5
97.02886	12.6
97.06547	5.6
98.06065	7.3
99.04432	2.1
100.07637	4.2
101.02373	1.6
105.07034	3.2
107.08595	4.8
109.02882	1.9
109.10169	3.9
111.08105	5.2
112.07623	1.7
114.05565	2.3
116.07117	4.8
119.08588	2.7
121.06499	2.0
121.10168	4.9
124.07652	2.3
127.03976	2.7
129.07060	2.6
131.08595	5.3
132.06622	4.4
133.10141	2.0
147.11754	4.4
149.09616	2.4
157.10132	3.9
158.85666	1.6
161.26913	1.6
175.11243	3.8
182.15402	2.6
193.12254	25.1
210.14915	26.6
211.13429	1.9
217.70313	1.6
224.20198	1.8
226.18152	2.1
228.15959	8.4
234.18481	1.8
236.16623	3.0
236.20062	6.9
241.08609	2.7
243.10356	1.9
252.19344	1.5
254.17601	6.9
254.21280	3.1
262.21365	1.7
267.15924	13.6
274.21625	2.0
276.20035	2.3
284.18686	4.9
285.16959	36.9
291.21750	1.9
292.22565	2.6
302.19635	26.6
302.22900	1.9
320.20667	9.8
328.21146	2.8
328.24704	3.8
330.22690	2.2
344.24335	3.6
345.24692	6.1
346.21964	29.4
346.25540	6.7
348.23889	3.3
362.25537	3.6
363.25958	5.4
364.26846	38.6
447.94958	1.8
482.25522	1.8
490.26740	2.4
502.20926	1.7
508.27539	100.0
509.28546	1.9
526.31805	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99308	1.4
53.03942	2.3
55.01841	1.8
55.05509	13.7
56.96555	1.6
57.07076	10.6
61.02940	1.4
67.05510	23.0
67.21174	1.4
69.03434	5.8
69.07070	48.9
69.34858	4.4
69.35279	7.0
70.06609	1.5
71.04980	4.0
71.08621	6.6
73.06554	1.9
79.05492	13.4
81.03413	2.5
81.07062	100.0
81.14021	1.4
83.08612	17.3
85.02900	6.1
85.06552	9.0
86.09698	2.1
91.05475	8.0
93.07043	29.1
95.04955	2.2
95.08611	69.3
97.02906	2.8
97.06512	9.1
97.10178	9.4
99.08106	5.9
105.07047	12.7
107.08607	32.1
109.06544	3.4
109.10153	40.0
111.08083	14.5
111.11721	12.3
119.08553	9.1
121.10158	17.9
122.84682	1.4
123.11714	30.7
125.09648	1.8
125.13292	2.5
127.03891	1.4
133.10146	4.9
135.11720	19.2
137.13255	24.4
139.11176	6.8
147.11676	10.6
149.13255	19.7
151.14859	4.7
153.12764	16.2
155.14352	9.1
158.14381	1.5
161.13260	3.4
163.14790	12.2
165.12770	12.7
167.14343	2.9
171.13831	3.5
177.16399	6.7
179.17992	1.7
183.13828	5.9
189.16368	2.6
191.17990	5.1
195.87927	1.5
201.14954	5.0
203.05328	1.9
203.17966	2.8
205.19482	3.4
217.19534	5.9
221.19005	2.3
227.12735	1.5
235.20497	2.0
236.56218	1.4
245.06378	5.6
259.09882	1.7
259.16797	3.1
261.25861	3.5
273.25784	12.1
274.92041	1.7
276.00061	1.5
277.17917	2.8
279.27005	7.3
287.03690	7.8
289.05301	66.6
291.26831	45.8
291.30008	2.9
297.27890	8.6
298.25076	1.6
309.27893	41.2
309.31213	2.9
327.28964	29.7
398.27673	1.5
481.24371	7.2
507.21899	3.7
525.23114	67.5
525.30652	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82153	2.0
53.03944	3.5
55.05503	12.0
57.07063	8.3
60.04523	2.3
61.02921	2.8
67.05509	26.7
67.17412	2.0
69.03412	4.2
69.06721	3.6
69.07064	39.5
70.89441	4.6
70.89795	2.7
71.04993	3.4
71.08608	7.5
73.46662	1.9
73.71876	2.2
79.05496	18.3
81.03406	4.8
81.07059	100.0
83.08620	16.1
85.02914	13.9
85.06542	15.3
91.05461	10.0
93.06551	3.0
93.07052	30.9
93.33493	2.0
93.95784	2.2
94.06556	2.6
95.08611	79.2
97.02878	4.5
97.06514	9.8
97.10168	9.2
98.46691	2.4
98.75544	2.3
98.97569	2.9
99.08088	8.5
105.07014	12.2
107.08601	47.1
109.06445	2.4
109.09465	4.3
109.10162	61.4
111.08080	12.4
111.11703	8.6
119.08579	7.8
121.10146	32.4
123.11715	59.3
125.09619	4.8
127.03899	3.3
133.10124	6.7
135.11708	29.4
137.13258	32.8
139.11122	6.1
141.12723	6.7
145.04892	2.8
146.01280	2.1
147.04451	3.3
147.11707	4.7
149.09636	2.7
149.13271	32.9
151.14812	6.9
153.12752	14.6
154.29132	2.4
161.13148	5.0
163.03893	2.2
163.14809	17.7
165.16359	2.3
167.14288	8.5
175.14833	2.6
177.16373	11.4
179.17877	5.0
181.15906	2.9
189.16386	4.7
191.17955	6.1
203.17917	5.1
205.19707	3.7
217.19479	6.1
223.20526	2.4
247.24292	3.0
261.25839	3.2
273.25732	17.3
279.26828	7.4
289.05353	11.3
291.26834	70.6
297.27908	2.8
309.27893	37.6
327.29041	17.7
363.25769	2.4
525.23181	14.6
525.30212	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05511	12.3
56.96567	1.7
57.03432	3.3
57.07076	8.1
58.30706	0.9
59.04997	1.0
59.47207	1.1
61.02931	2.2
67.05511	23.9
69.03442	7.1
69.07071	30.8
70.06567	2.7
70.46734	3.3
70.47746	1.0
71.04994	6.2
71.08638	1.8
72.08158	1.2
73.06552	1.6
77.80433	1.0
79.05495	16.0
81.03415	4.5
81.07059	100.0
83.04955	1.4
83.08631	14.7
84.08109	1.1
85.02908	8.3
85.06541	19.7
86.09701	2.2
87.04424	1.1
89.30511	1.7
91.05488	8.4
93.07046	30.6
93.45306	1.1
94.06592	1.3
95.04974	3.3
95.08613	77.9
97.02917	5.0
97.03436	1.0
97.06536	11.8
97.10180	9.6
98.97590	2.1
99.04472	1.4
99.08089	12.7
105.07041	15.1
107.04931	1.1
107.08600	33.3
107.35246	0.9
109.02882	1.5
109.10159	50.8
111.08078	20.4
111.11722	7.0
111.87086	1.2
113.05981	4.3
113.09713	1.4
115.07585	2.1
119.04909	1.7
119.08598	12.0
120.08119	1.9
120.08934	1.1
121.10143	27.9
122.57482	1.0
123.11710	50.0
125.09642	10.2
125.13267	2.6
127.11179	4.1
133.10124	9.3
135.11682	21.0
137.05890	1.0
137.13268	16.7
139.11186	9.5
141.12773	2.4
145.10123	1.9
147.04442	3.8
147.11682	8.8
149.13268	24.5
151.14830	6.9
153.12746	7.4
155.14348	2.7
158.99614	1.2
159.11687	1.9
161.09508	1.3
161.13266	19.6
163.03874	1.5
163.14821	12.8
165.12752	1.9
165.16354	2.2
167.14354	5.0
175.14798	3.7
177.16389	6.6
179.14343	2.7
179.18001	2.4
181.15848	1.2
182.55637	1.2
189.09015	1.1
189.16377	4.1
191.17958	8.1
203.17941	3.1
205.19518	5.7
217.19513	42.1
223.20575	2.7
235.20578	47.1
252.60733	1.1
253.21643	38.6
259.09555	1.8
261.25742	2.1
265.25421	1.1
271.22684	3.2
273.25735	9.7
279.26907	6.7
289.05341	2.8
291.26831	26.3
297.27954	1.3
309.27863	13.8
323.12405	1.1
327.28970	3.9
345.29935	4.3
362.24997	1.1
363.25650	1.3
415.27048	2.0
481.24158	2.4
525.22992	23.2
525.30420	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	525.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.05307	1.3
55.05519	16.3
56.96544	1.5
57.03428	3.2
57.07072	3.5
61.02931	1.9
62.64879	1.0
65.24296	1.0
67.05173	2.0
67.05511	18.9
67.43185	1.0
67.90108	1.1
69.03426	4.7
69.07075	21.9
71.04993	2.9
71.07320	1.2
71.08645	1.5
71.56743	1.9
78.53814	1.1
79.05496	10.7
81.03406	4.0
81.07059	25.1
83.04984	2.5
83.08628	13.9
85.02909	6.1
85.06529	5.4
91.05497	8.9
93.07044	10.5
94.64503	1.2
95.04967	2.4
95.08059	1.8
95.08616	22.4
97.02900	2.7
97.06551	6.3
97.09620	1.5
97.10174	14.4
98.97577	2.0
99.08093	4.4
105.07036	12.9
107.08611	7.8
108.65211	1.2
109.02870	3.8
109.06552	1.9
109.10168	14.9
111.08118	2.1
111.11712	5.4
113.09621	1.4
117.07030	2.1
119.08574	9.7
121.06501	3.3
121.10163	9.0
123.04470	1.3
123.08099	2.1
123.11716	4.4
125.09640	1.5
125.13231	1.5
127.03947	2.5
129.06955	1.5
131.08556	3.0
133.10143	7.8
135.08072	1.3
135.11711	9.2
137.06049	2.2
137.09596	3.2
137.13274	2.4
139.11163	2.0
145.06383	1.8
145.10104	2.5
147.04395	2.4
147.11696	7.1
149.09613	1.4
149.13286	1.7
151.11172	2.5
151.14818	1.6
153.12788	1.6
157.10114	2.1
158.71133	1.3
159.08113	2.0
159.11731	1.3
161.09607	1.7
161.13264	4.3
165.12793	1.6
175.11232	1.5
175.14824	2.3
179.14273	2.3
189.11258	1.1
217.19579	7.3
227.12793	2.1
231.08702	1.2
235.20549	8.8
253.21648	7.5
259.20569	2.4
277.17801	11.2
289.05194	1.2
295.13190	2.2
309.24310	2.0
327.25330	100.0
345.26434	16.8
347.12915	2.9
347.25604	3.3
363.21585	2.9
365.13882	2.3
371.16824	6.7
403.18961	1.8
420.16394	1.4
421.20224	3.6
439.23312	2.2
443.50952	1.2
481.24091	3.5
507.30139	2.5
525.22949	24.3
525.30267	72.5
552.77911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01873	2.9
55.05513	30.2
56.96562	2.0
57.03441	10.3
57.07074	5.9
66.91685	2.0
67.05506	33.7
69.03431	6.7
69.07069	37.4
70.06592	4.7
70.48196	6.8
71.04994	7.8
72.08154	2.4
74.09515	1.9
79.05499	17.9
81.03419	8.7
81.07064	40.1
83.04985	3.5
83.08627	27.5
85.02914	9.1
85.06543	6.1
86.09696	4.1
91.03937	2.1
91.05485	12.9
93.07066	21.2
95.04982	5.6
95.08615	37.5
97.02902	7.2
97.06511	9.0
97.10181	16.3
98.97599	5.6
99.04438	3.5
99.08094	3.6
105.07037	15.7
107.08620	16.1
109.02900	3.5
109.06518	4.6
109.10159	20.4
111.08107	2.6
111.11717	6.0
116.98642	2.7
119.04925	2.7
119.07780	2.5
119.08582	10.6
120.08134	3.2
121.10141	16.9
123.08073	3.1
123.11715	8.6
125.09572	3.1
125.84055	2.0
127.03931	6.3
129.06987	3.3
133.06459	2.1
133.10120	16.1
135.11743	9.8
137.13289	4.2
143.00177	1.9
145.10167	3.2
147.04413	10.4
147.11711	10.6
149.13246	4.5
151.11223	2.7
151.14822	2.2
161.13255	8.3
163.14766	2.5
165.08983	1.9
175.14803	3.6
217.19537	6.1
235.20599	8.8
253.21799	5.0
259.20633	2.8
277.17935	4.4
289.05283	3.0
289.18054	2.7
309.24231	5.9
327.25305	100.0
331.26785	2.1
345.26431	71.7
363.21506	4.2
421.21964	4.6
457.20984	2.7
463.22980	9.3
481.24152	13.5
507.22009	46.2
507.30725	6.2
525.22906	60.4
525.30316	65.1
526.25647	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	525.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05508	2.3
56.96555	0.8
57.03430	1.4
61.02928	0.8
67.05502	2.4
69.03416	1.5
69.07056	1.6
70.06599	1.1
71.04985	1.1
71.57395	1.1
77.71732	0.5
79.05500	2.2
81.03427	1.8
81.07066	2.9
83.04990	0.8
83.08604	0.8
85.02921	1.5
91.05483	2.9
93.07040	2.9
95.04956	0.8
95.08611	2.2
97.02920	0.8
97.06531	1.6
97.10162	0.5
98.97591	1.6
105.07025	2.3
107.04943	0.9
107.08612	2.0
109.10176	1.6
116.98641	1.0
117.07001	1.3
119.05046	0.8
119.08586	2.4
121.06504	0.6
121.10106	0.6
127.03937	0.9
129.06978	0.6
131.08565	1.6
133.06487	0.8
133.10173	1.2
135.08080	1.6
135.11694	0.7
137.05939	0.7
145.06470	0.7
145.10204	0.5
147.04427	2.1
158.99718	1.1
159.08043	1.0
159.11676	1.0
161.09616	0.6
163.75185	0.6
173.09689	0.6
175.11232	0.9
189.11246	0.6
203.05280	27.4
215.14348	1.5
238.21568	0.5
271.16983	1.4
275.19858	6.0
277.17795	1.3
289.18018	1.7
327.22946	1.1
345.20520	1.7
345.24091	12.9
347.12836	0.7
347.25745	1.0
363.21729	1.6
415.24118	0.7
421.20169	1.3
439.23166	0.8
481.23755	2.1
498.56003	0.6
525.23352	8.3
525.30377	100.0
526.30811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.7
55.05487	1.3
64.80327	0.5
67.05502	2.9
69.03423	0.7
69.07071	2.6
70.78080	1.1
71.04962	0.6
76.17928	0.5
79.05482	2.6
81.07057	9.2
83.08579	1.7
85.02889	0.9
85.06525	1.2
86.88744	0.5
91.05467	1.1
93.07044	4.4
95.04936	0.8
95.08608	8.3
97.02859	0.6
97.06518	1.5
97.10177	0.7
99.08046	0.6
105.07020	1.4
107.08603	3.8
109.10168	6.2
111.08097	1.1
111.11687	0.6
119.08541	0.9
121.10175	3.2
123.11708	5.0
133.10100	0.8
135.11655	1.9
137.13214	2.0
145.10114	0.7
149.13261	2.7
151.14821	0.8
153.12691	0.6
161.13231	0.9
163.14772	2.2
171.90279	0.5
181.29489	0.5
191.17963	0.8
203.05266	2.6
217.19551	1.0
227.05179	0.8
235.20593	0.6
243.04752	1.8
245.06335	8.9
253.21846	0.8
259.09589	0.9
259.16760	2.7
271.04181	1.0
273.25739	1.2
277.17709	2.0
287.03729	10.0
289.05301	100.0
291.26746	3.1
309.27850	1.6
319.17728	0.9
326.24319	0.5
327.29080	1.0
356.81342	0.6
363.21408	0.7
396.14249	0.9
414.38202	0.5
439.23364	1.1
445.22720	0.6
463.23312	0.7
481.24152	15.2
481.30701	1.1
507.22482	1.6
525.23090	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53629	0.6
56.96563	5.0
71.55351	0.7
71.95239	1.6
98.97591	86.5
102.07153	0.7
116.98634	41.2
134.99670	10.7
153.00728	1.2
158.01207	0.8
177.00946	0.9
214.95810	1.0
216.98880	2.3
219.02065	1.2
232.96524	1.4
233.96867	0.8
234.99968	4.4
236.00125	0.7
240.98703	10.1
241.00720	0.9
246.90813	0.6
256.96716	3.2
257.96750	0.8
258.99826	97.2
260.00009	2.3
260.99988	0.9
261.03055	2.9
264.99118	0.7
274.97696	6.1
275.97858	1.9
277.00870	79.2
278.01096	1.7
282.01309	1.7
282.99997	25.6
284.00098	2.7
284.99738	1.8
292.98807	1.0
298.97800	7.5
299.97919	2.8
300.02118	1.7
301.01086	22.7
302.01230	2.0
303.00922	1.7
316.98993	9.3
317.99039	3.6
340.99194	2.2
359.00073	11.2
364.98938	3.3
382.99976	29.8
384.00250	1.2
398.98230	1.1
401.01086	100.0
402.01498	2.8
403.01416	0.8
419.02237	9.5
422.98083	1.2
423.97620	1.0
424.02762	4.0
425.01266	4.1
440.99503	3.3
441.99142	4.4
443.02563	4.8
459.00208	3.4
459.99918	3.8
483.00650	2.2
484.00259	1.1
500.98221	1.0
507.00140	6.7
524.27893	0.8
525.01288	70.8
526.01373	2.8
542.99304	3.2
548.02667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3717
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05034	1.2
57.03444	0.6
57.07077	3.7
58.06604	1.3
59.07372	0.4
60.08165	17.4
61.78078	0.4
67.05500	1.1
69.07070	1.0
70.82116	0.8
71.07370	5.7
71.08624	1.7
79.15598	0.4
81.03447	0.3
81.07059	1.7
83.08607	0.7
85.10178	1.1
86.09707	50.5
91.05465	0.4
93.07050	0.8
95.04984	0.5
95.08634	1.7
97.10185	0.4
98.98475	4.1
104.10748	100.0
105.07049	0.4
109.10159	0.5
111.14702	0.3
114.29501	0.4
119.08627	0.4
123.11748	0.4
125.00008	27.3
147.82916	0.3
163.01599	0.9
179.39977	0.3
184.07346	98.8
237.14975	0.4
258.10959	0.8
275.20007	0.9
276.56033	0.4
293.21042	1.1
341.30511	1.8
447.28934	0.5
506.36124	9.7
524.37054	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3065
Annotation	Broussonetine L
Peak:m/z	Relative Intensity
55.01872	2.0
55.05509	3.3
56.05038	2.1
57.03441	4.3
57.46649	0.7
60.04526	14.6
61.02930	0.9
67.04224	0.6
67.05507	5.3
68.05044	1.9
69.03431	9.2
69.07076	2.0
69.82713	4.1
70.06580	2.5
71.04996	2.8
71.80724	0.7
72.04508	2.7
73.02913	2.7
74.06058	0.8
79.05502	3.8
80.05025	10.7
81.03432	2.0
81.07061	5.9
82.06591	5.6
83.04991	1.5
83.08631	1.4
84.04507	0.8
84.08179	0.7
85.02910	6.7
85.06516	0.9
86.06059	0.9
90.05540	1.4
91.05474	2.7
93.07046	3.6
94.06575	13.5
95.08627	4.9
96.08125	1.2
97.02895	21.7
97.03517	1.3
97.06539	3.2
98.06068	1.9
101.02364	1.7
105.07019	2.3
106.06525	0.9
107.08606	2.1
108.08109	1.7
109.10174	1.6
111.08102	2.0
112.07640	1.0
113.02380	2.0
115.03954	1.8
116.07097	1.7
119.08595	1.6
120.08115	2.5
121.10133	1.7
123.11713	0.8
125.02374	0.8
133.10159	1.0
134.09712	0.9
135.11740	0.8
138.12816	1.0
142.67952	0.7
143.03403	0.7
145.10103	0.9
147.11595	0.8
179.14404	2.4
206.15437	1.0
208.17067	0.9
219.17595	0.7
224.20148	2.6
236.20116	9.1
238.21898	0.7
244.20660	2.9
250.21815	1.0
251.20239	0.8
254.21118	10.1
262.21677	3.7
264.19791	1.1
264.23206	1.9
274.21658	12.3
282.20532	1.1
292.22745	10.8
300.21753	1.2
307.26312	0.8
310.23788	7.2
328.24826	52.6
329.25308	1.0
338.23224	1.0
344.24197	1.2
346.25894	46.3
356.24512	1.4
370.25967	1.3
374.25479	3.3
388.27042	2.7
488.28857	1.7
506.29651	100.0
507.29837	2.1
524.30682	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3066
Annotation	Broussonetine K
Peak:m/z	Relative Intensity
52.68570	1.0
53.03940	1.1
55.01874	2.2
55.05511	1.3
56.05035	2.0
57.03436	2.6
57.16460	1.0
60.04529	20.9
61.02931	2.0
67.05511	3.4
68.05022	1.9
68.52689	0.9
69.03438	10.5
69.07060	1.1
69.81982	4.6
70.06577	1.3
71.05009	5.8
72.04505	2.2
73.02909	2.0
79.05505	2.9
80.05019	5.8
81.03419	4.1
81.07078	5.0
82.06593	0.9
84.04506	1.8
85.02908	16.8
86.06055	2.6
87.04464	2.8
90.05573	4.0
93.07050	2.5
94.06573	2.2
95.08598	4.3
96.04501	1.9
97.02919	6.1
97.06524	6.9
98.06062	2.0
99.04434	1.3
105.07030	1.8
106.06579	1.7
107.08561	2.4
109.02872	1.4
110.06052	2.5
114.05527	1.5
119.08572	1.5
120.08118	2.6
121.10184	1.5
127.03941	2.4
132.06577	27.1
145.10072	1.4
148.11247	1.4
150.09171	1.1
182.59462	1.0
188.34407	1.0
190.15953	2.1
200.18356	1.0
211.16977	3.9
218.15422	2.2
224.20149	4.0
234.18538	2.6
236.96605	0.9
237.18562	2.9
248.20207	3.9
249.18550	1.1
250.21693	1.4
252.19629	3.8
259.24301	1.0
260.20120	17.4
260.22635	1.3
262.21634	5.1
266.21072	9.7
272.20056	9.0
272.22540	0.9
278.21161	4.2
290.21152	21.6
308.22232	11.1
326.23279	22.3
344.24338	30.9
362.25381	45.0
488.28513	1.3
505.71143	1.0
506.29352	7.7
524.30688	100.0
549.50226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3066
Annotation	Broussonetine L
Peak:m/z	Relative Intensity
50.86204	0.7
51.84647	0.6
53.03949	1.2
53.49226	0.7
54.09450	0.7
55.01868	2.2
55.05502	2.1
55.52932	0.6
56.05023	2.4
57.03427	3.3
60.04528	24.4
61.02918	3.0
62.82030	0.7
63.29554	0.7
66.18447	0.9
67.05501	4.2
68.05021	1.8
69.03431	10.3
69.07067	1.1
69.87395	2.7
69.87817	1.3
70.06580	1.2
71.04990	1.7
72.03146	0.7
72.04514	1.4
73.02908	3.0
79.05465	3.5
80.05020	7.8
81.03427	4.4
81.07047	3.8
81.92950	0.8
82.06574	2.2
83.04988	2.2
83.08607	1.0
84.04511	2.1
84.20133	0.7
85.02910	18.0
85.06540	1.3
86.06063	2.2
87.04464	3.0
90.05556	5.6
91.05482	2.5
92.05010	1.1
93.07051	3.9
94.06580	4.7
95.08598	3.3
96.04502	2.0
96.08124	2.0
97.02893	6.5
97.06520	1.0
98.06075	2.5
98.20824	1.1
99.04448	1.8
102.05540	0.9
105.07046	1.7
106.06538	1.6
107.08615	1.7
108.04443	0.7
108.08118	1.7
109.02883	2.6
109.10140	1.8
110.06055	3.2
111.08086	2.6
114.05563	1.6
116.07119	1.2
118.59022	0.7
119.08611	0.9
120.08124	2.8
121.10143	1.0
122.06030	1.4
123.11739	0.9
124.07576	0.9
127.03945	3.1
132.06572	27.3
133.10150	1.4
135.11678	0.8
147.11714	0.9
150.09122	0.8
159.11659	1.0
168.13795	0.9
179.14345	1.3
204.13907	1.8
206.15414	1.1
211.16965	3.2
224.20137	2.7
232.17039	1.4
234.14851	1.9
234.18690	1.0
237.18555	3.0
238.21643	1.7
248.20212	3.4
250.21675	0.9
252.19617	1.8
252.23576	0.8
254.19046	0.9
260.20120	14.4
262.18076	1.9
262.21689	3.4
266.21136	9.5
270.20651	0.8
272.20071	7.7
278.21112	6.3
280.22928	1.0
284.22379	1.5
290.21158	21.6
308.22186	11.2
326.23294	15.7
344.24316	24.3
345.60281	0.7
362.25366	59.3
404.26346	1.1
488.28018	1.0
506.29398	5.2
524.30707	100.0
530.35382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
55.05514	3.1
56.05040	1.7
57.03426	3.6
60.04256	1.1
60.04532	14.1
61.02926	1.1
67.05508	4.8
68.05039	1.8
69.03432	10.0
69.07069	1.9
69.36506	5.8
69.36904	1.5
69.55403	0.9
70.06590	2.0
71.04977	2.3
72.04497	1.6
73.02905	2.6
74.06095	0.9
79.05498	3.0
80.05023	11.1
81.07073	4.9
82.06575	4.5
83.05009	1.8
84.04530	1.3
84.08134	0.8
85.02923	6.1
85.06543	1.5
87.04472	1.5
90.05569	1.3
91.05489	2.8
93.07056	3.7
94.06575	13.2
95.08610	4.1
96.08144	1.1
97.02284	1.5
97.02898	23.1
97.06546	2.2
98.06067	1.3
101.02362	2.1
105.07034	1.1
106.06535	1.1
107.08586	1.9
108.08137	2.3
109.10154	1.2
110.06077	1.1
111.08069	2.6
113.02383	1.5
115.03967	2.0
116.07106	1.2
117.06971	1.0
119.08597	1.0
120.08107	1.5
121.10139	1.3
132.06555	0.9
133.10147	0.9
134.09673	2.3
134.66983	0.7
135.11713	0.9
142.51648	0.8
143.03389	1.3
145.10141	0.8
148.11240	1.0
179.14363	1.6
206.15451	1.1
208.16994	1.1
210.70175	1.0
224.20119	2.7
225.28477	0.8
228.53687	0.9
229.15855	0.9
236.20088	7.9
244.20760	1.0
246.18694	1.1
250.21692	1.2
254.21181	9.6
262.21732	3.5
264.19623	1.5
274.21664	10.5
282.20792	0.8
292.22696	12.3
300.21744	1.9
310.23715	6.5
326.23282	1.0
328.24826	48.8
344.24466	1.7
346.25912	54.4
356.24265	2.2
374.25409	2.5
388.26968	2.3
488.28677	1.9
506.29645	100.0
507.29797	1.4
524.30634	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.4
55.05510	11.6
57.03442	16.3
57.07080	36.2
57.31382	2.7
67.05511	19.6
69.07066	9.7
69.44434	12.7
69.44855	6.4
71.08632	26.6
72.70875	2.5
79.05495	11.8
81.03425	70.3
81.07068	23.4
83.05000	3.4
83.08624	22.5
85.10194	11.3
91.05482	15.9
93.07040	9.1
95.04980	23.6
95.08621	22.9
97.10169	3.9
105.07030	11.9
107.04977	3.8
107.08605	5.9
109.10161	12.5
111.08111	3.5
117.07060	3.4
119.08580	9.4
121.06507	3.8
121.10155	4.9
123.11681	3.5
129.07018	7.3
131.08611	7.3
141.08192	2.8
147.11691	5.8
149.09608	4.4
157.10172	5.2
168.95816	3.4
168.98981	4.1
175.11188	10.0
186.96814	5.6
193.12276	26.5
199.14571	3.1
209.98312	3.0
225.08900	9.3
239.23567	3.4
265.11914	3.9
267.15936	79.5
277.21753	3.3
295.22534	2.9
313.27402	65.6
463.21225	4.9
505.38998	45.8
523.25470	100.0
523.39783	6.4
538.60553	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01862	3.7
55.05518	16.3
57.07058	8.2
58.36244	3.1
67.05502	23.1
67.83092	3.1
68.63967	3.1
69.03420	7.5
69.07067	77.4
70.08787	12.3
71.04989	5.2
79.05486	16.3
80.89211	3.3
81.03434	5.4
81.07059	97.3
83.04943	3.9
83.08597	17.1
85.02901	6.7
85.06517	14.6
91.05475	8.5
93.07047	40.0
94.98831	3.1
95.08609	52.2
97.06518	10.1
97.10159	12.5
98.97554	4.3
99.08076	5.5
105.07032	33.3
107.08596	42.9
109.06490	4.5
109.10154	44.0
110.59998	3.3
111.08044	8.3
111.11705	15.4
113.49643	3.3
119.08592	18.9
121.06617	3.5
121.10164	45.1
123.11711	78.7
125.09623	3.9
133.10121	11.8
135.11650	17.9
137.13220	9.5
139.11169	21.5
141.12735	4.1
145.10127	6.9
147.11653	26.0
149.13260	24.2
151.11192	9.4
153.12749	8.5
159.11671	6.7
161.13217	9.9
163.14801	7.7
165.09048	5.9
165.12740	26.4
167.14357	6.1
169.12244	17.2
175.14825	4.8
177.16379	4.7
189.16385	3.8
203.17987	4.8
205.19504	3.9
210.85129	3.5
215.17799	6.2
233.18924	3.3
245.22607	5.8
251.20044	6.7
265.33636	3.5
271.24271	16.4
277.25323	12.2
289.25275	84.7
295.26285	3.8
305.12170	3.5
307.26315	100.0
346.00092	3.3
385.88885	3.4
523.14264	6.7
523.21674	8.2
523.28888	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	523.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.3
57.03429	12.3
57.07069	24.7
60.61753	5.4
61.83073	6.1
65.78576	6.6
67.05494	10.8
69.07056	10.5
69.78461	10.5
69.78867	22.6
71.08633	19.6
79.05492	12.8
81.03423	33.3
81.07047	19.8
83.08611	11.0
85.10193	8.4
90.04454	5.1
91.05477	8.9
93.07048	11.3
94.93029	5.7
95.04954	12.5
95.08612	22.3
97.10184	6.4
98.21430	9.5
105.07068	11.5
109.10210	9.1
129.12233	5.9
131.08580	8.3
168.95729	8.4
168.99008	17.4
170.43076	6.3
175.11198	6.4
186.96786	15.9
193.12218	24.4
225.08882	100.0
249.52567	6.9
249.73999	6.0
265.12045	14.8
267.15979	44.1
313.27362	56.8
316.14615	6.9
463.21478	9.4
505.39114	34.5
523.40106	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.05511	19.3
56.96562	2.2
57.03436	4.6
57.07067	5.2
59.04970	4.0
60.04528	3.3
65.03953	3.1
67.05505	22.9
69.03416	10.4
69.06681	2.3
69.07068	46.8
70.06738	8.1
71.04999	6.3
75.44003	2.1
79.05495	22.8
81.03416	4.7
81.07060	100.0
82.07358	2.8
83.04949	3.6
83.08615	10.4
85.02895	14.6
85.06545	6.6
86.09705	3.3
91.05486	19.2
93.07052	49.6
95.04971	9.6
95.08608	61.1
97.02885	4.8
97.06533	12.6
97.10149	6.2
98.20816	3.6
98.97589	9.6
99.04498	2.4
99.08083	3.0
105.07030	21.7
107.08595	39.3
109.06542	6.7
109.10159	35.2
111.04394	3.0
111.08096	15.7
111.11711	9.9
116.98632	3.5
117.06985	3.3
118.61343	2.6
119.08585	10.6
121.06564	4.3
121.10141	27.1
123.08108	3.5
123.11702	31.7
125.09693	2.9
127.03849	3.7
127.11212	3.8
131.08534	4.4
133.10143	22.8
135.11697	18.5
137.06021	2.6
137.13260	10.0
139.11200	13.2
144.13863	2.5
145.10141	8.3
147.04335	3.6
147.11739	12.3
149.13257	12.3
151.11171	18.2
151.14861	4.4
153.12740	6.7
155.10654	2.9
159.11687	5.6
161.13269	8.9
163.11241	3.6
163.14871	9.7
165.09140	4.3
165.12750	5.4
169.12291	5.7
172.85321	2.6
173.13240	4.8
175.14841	6.8
177.16405	5.5
181.12210	4.3
187.11223	2.3
189.16458	5.8
191.18010	2.9
203.17987	3.4
210.66495	2.3
215.17990	5.5
219.01807	3.1
221.18947	2.3
225.47736	2.3
233.19011	4.2
245.22673	3.4
249.33174	2.5
251.20117	8.7
271.24210	9.6
277.25262	9.2
287.05664	3.6
289.25235	41.7
295.26199	2.7
307.26291	86.2
308.26181	3.1
325.27423	7.1
338.82437	2.8
343.22391	12.1
345.24115	3.9
414.38217	2.2
437.18234	3.3
505.27921	2.4
518.76965	3.4
523.13312	2.7
523.20715	9.3
523.28705	67.3
544.55872	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16054	0.6
55.47512	0.7
56.96566	50.4
67.05498	1.4
70.19653	0.6
70.98124	35.6
71.21337	1.2
71.95266	1.3
72.96023	0.8
73.86266	0.7
74.22350	0.6
74.97608	1.6
79.05470	1.0
79.07845	0.6
84.96008	0.8
87.73161	0.5
88.99169	8.2
91.05460	1.5
95.04953	0.6
98.97548	0.7
105.00135	0.9
107.00212	1.3
115.00710	1.1
126.43933	0.6
127.00720	0.7
141.02222	3.8
147.03192	0.8
151.00621	1.1
153.02202	2.4
155.00128	0.9
155.03790	8.9
159.03296	4.9
167.03770	1.6
169.01703	2.1
169.05380	9.3
171.03282	2.7
173.04886	15.0
177.04326	1.1
181.05429	0.7
183.03276	1.0
183.06871	0.7
185.04890	3.7
187.02797	1.5
187.06425	20.3
191.05954	3.8
195.68019	0.9
196.06438	1.5
199.06342	1.0
201.04343	1.1
201.08005	4.8
205.07443	4.9
205.09058	1.0
207.06934	0.9
210.08116	1.6
213.08018	0.8
219.07103	0.9
219.09067	2.8
221.08476	4.3
223.10062	47.9
225.08005	1.3
225.11644	4.5
228.09114	0.7
235.53249	0.8
237.07967	1.4
239.09535	4.8
241.11131	29.9
243.09042	1.2
243.12717	1.7
253.07446	1.4
255.08969	3.3
255.12750	3.4
259.12247	1.6
264.12759	3.7
269.10629	3.7
273.10080	3.5
273.13763	1.7
281.10559	13.6
285.10074	1.5
287.11673	3.1
299.11676	100.0
317.12717	39.9
322.13245	13.4
340.14398	2.5
523.25806	92.3
524.25378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01852	5.5
55.05518	26.7
57.03433	6.4
57.07054	4.0
65.03954	3.5
65.87358	3.2
67.05182	3.6
67.05513	59.0
69.03399	5.2
69.07072	28.7
71.04996	5.0
79.05112	4.0
79.05503	38.3
80.15223	3.3
81.07066	54.2
83.04979	8.4
83.08628	17.6
85.06545	4.2
85.10154	3.6
91.05479	37.8
92.29625	3.1
93.07062	40.1
95.04980	9.6
95.08621	22.3
97.06515	8.6
97.10175	7.3
98.10564	3.5
101.86873	3.0
105.07036	48.5
107.04967	5.2
107.08598	35.2
109.06550	4.5
109.10165	36.3
111.08074	12.6
117.07019	9.0
119.08558	12.3
121.10149	10.0
123.08058	5.8
123.11716	9.4
125.09632	4.1
129.07007	4.9
131.08583	10.4
133.10150	67.3
135.08015	4.7
135.11652	8.0
143.08592	5.9
145.10133	9.5
147.08061	4.1
149.09578	4.5
151.11215	27.6
157.10049	6.7
157.66096	4.0
159.11685	4.1
163.11255	3.7
168.95695	3.9
169.10101	3.8
171.11778	3.9
173.13208	3.7
179.10690	4.0
183.13745	6.1
184.07326	4.9
186.96767	5.0
199.14804	3.9
201.80687	3.5
219.35654	4.0
227.12856	4.3
275.20114	5.5
315.12845	4.2
341.24954	3.9
345.24112	8.2
359.25629	4.4
437.30408	6.7
469.33139	11.1
473.32269	4.3
487.34250	100.0
504.37665	5.5
522.31323	3.8
522.38593	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	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
56.05035	1.0
56.96566	0.8
57.03431	1.0
57.07070	0.8
58.06605	1.3
59.07384	0.8
60.08164	17.7
63.09359	0.3
67.05508	1.6
69.07063	2.8
70.06600	0.5
71.01125	0.3
71.01464	0.7
71.07372	6.7
71.08641	0.4
73.93566	0.4
74.09708	2.1
77.93999	0.3
79.05491	0.9
81.07048	1.6
83.08624	1.5
83.57896	0.4
86.09705	51.7
93.07039	1.3
95.08621	1.3
96.98277	0.3
97.10143	0.9
98.98459	3.3
102.92616	0.8
103.61105	0.4
104.10742	100.0
109.10152	0.8
118.92092	0.7
121.10152	0.9
125.00005	30.4
136.93108	6.1
149.66356	0.4
154.94167	10.0
163.01602	0.8
172.95236	9.8
177.95845	1.0
184.07336	99.7
190.96324	3.1
192.95900	0.5
195.96806	0.8
209.11511	1.1
210.11800	1.0
210.96600	2.2
212.98428	0.6
228.97868	4.5
229.98210	0.6
233.98323	0.4
246.98987	2.2
251.99284	0.5
258.11087	1.2
264.12982	0.5
285.00464	1.1
303.01581	1.0
339.28867	1.8
351.68301	0.4
411.88312	0.4
430.17551	0.8
445.26666	0.5
448.18509	2.6
466.19559	2.4
504.34436	8.2
522.22931	9.6
522.35516	37.7
523.23157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.05046	0.5
56.96577	0.3
57.03428	0.2
57.07101	0.2
58.06636	0.5
58.28460	0.1
59.07397	0.1
60.08167	6.1
67.05507	0.3
69.07076	0.6
69.12650	0.1
70.84920	0.3
71.07374	2.8
71.07755	0.2
72.08150	0.4
74.09731	0.2
75.34897	0.1
79.05489	0.2
81.07059	0.2
83.08612	0.4
86.09709	29.6
93.07021	0.2
95.08604	0.3
97.10178	0.2
98.98470	2.9
104.10751	2.7
104.11420	0.2
107.08620	0.1
118.92085	0.2
125.00013	20.1
136.61581	0.1
136.93129	1.5
143.01103	0.1
149.01242	0.1
154.94170	2.1
172.95250	1.4
177.95743	0.3
184.07347	100.0
185.07607	0.2
190.96283	0.3
192.95752	0.1
195.96831	0.2
210.96695	0.3
210.97647	0.3
212.98418	0.1
228.97885	0.8
246.98901	0.2
247.99327	0.1
258.11087	0.2
285.00439	0.3
290.86639	0.1
308.56793	0.1
308.87271	0.1
311.25830	0.1
311.57452	0.1
312.19250	0.1
326.78687	0.1
339.29333	0.2
448.18378	0.4
465.18790	0.1
466.19345	0.7
504.34424	1.2
522.22369	2.0
522.35468	3.0
523.36810	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01865	1.8
55.05519	1.9
56.05050	1.4
57.03436	1.8
58.06583	0.6
60.04529	20.9
60.52369	0.7
67.05508	4.4
68.05035	2.7
69.03432	4.5
69.07063	1.0
70.06593	1.5
71.04993	3.8
71.07951	1.2
72.04506	2.0
73.02916	1.8
79.05490	2.2
80.05030	4.4
81.03423	0.8
81.07063	5.0
81.91267	0.6
82.06587	1.9
84.08144	0.8
85.02906	7.4
85.06544	1.0
86.06091	1.4
87.04469	1.6
90.05564	2.5
91.05490	1.6
93.07059	2.8
94.06557	4.4
95.08618	4.0
96.04488	2.2
96.08132	1.1
97.02901	9.3
97.06535	7.9
98.06042	2.8
101.02399	1.0
105.07047	1.8
106.06600	1.0
107.08611	1.9
108.08130	1.4
109.10188	1.9
110.06055	2.8
110.09650	0.7
111.08070	1.1
113.02366	2.1
114.05536	1.8
115.03950	2.7
116.07150	0.8
117.07069	0.6
119.08604	1.4
120.08106	1.7
121.10203	1.5
122.06049	1.1
124.07577	0.7
125.02388	0.8
131.08615	0.9
132.06575	18.0
133.10117	1.0
136.07620	0.7
142.08678	0.7
143.03476	0.9
147.11635	0.8
161.04588	0.7
211.16931	1.6
218.15445	1.5
220.17030	1.2
224.20200	2.4
234.18561	0.7
237.18533	3.5
238.21780	1.0
244.20790	0.7
248.16354	0.6
248.20192	3.3
250.21771	0.7
252.19659	1.0
260.20120	8.9
260.22668	0.8
262.18204	0.7
262.21741	4.2
266.21225	5.6
267.66870	0.7
272.20074	6.2
278.21207	3.2
280.22598	1.0
290.21170	14.4
290.24274	1.2
306.20670	0.6
308.22214	8.6
326.23267	16.3
344.24332	12.0
362.25385	9.0
372.23975	1.4
486.27179	1.7
504.28159	14.5
522.29144	100.0
523.29919	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	522.2911
Annotation	Epothilone B10
Peak:m/z	Relative Intensity
50.89197	0.3
53.53911	0.4
55.01880	2.0
55.05516	3.8
56.05023	1.7
56.05264	0.4
57.03437	2.7
57.07073	0.4
57.31878	0.4
58.47042	0.4
59.04998	0.5
60.04530	23.6
61.02924	0.9
67.05511	4.7
68.05044	2.7
69.03441	4.2
69.07077	2.0
69.55209	1.4
69.55621	1.2
70.06590	1.4
71.01344	0.8
71.04982	1.2
72.04520	2.3
73.02916	3.2
74.06078	0.7
79.05507	3.3
80.05019	6.2
81.03435	1.1
81.07062	4.8
82.06592	2.1
83.04967	1.5
84.04494	1.5
85.02908	6.5
85.06542	1.4
86.06072	1.1
87.04475	1.1
90.05569	2.7
91.05498	2.3
92.04993	0.9
93.05773	0.5
93.07061	4.0
94.06588	4.6
95.04977	0.9
95.08624	3.3
96.04487	2.4
96.08143	1.4
97.02902	9.5
97.06549	1.2
97.10197	0.5
98.06066	1.4
100.07614	0.6
101.02400	2.0
103.03979	0.4
105.07044	1.6
106.06593	1.9
107.08593	1.8
108.08154	1.5
109.06566	0.6
109.10164	1.9
110.06068	3.2
111.08092	2.5
112.53204	0.4
113.02382	2.3
114.05521	1.7
115.03954	2.4
116.07136	0.6
117.07003	0.5
118.06558	0.6
119.08569	1.6
119.09430	0.3
120.08141	2.1
120.08867	0.5
121.10150	1.1
122.06024	1.5
122.09671	0.5
123.06818	0.7
124.07630	0.6
125.02392	0.8
131.08595	0.4
132.06575	16.5
132.08067	0.8
133.10156	1.4
134.09627	0.5
135.11674	0.6
136.07666	1.0
137.09612	0.5
138.09132	0.6
138.12875	0.6
139.11154	0.4
142.08626	0.5
143.03415	0.6
145.10129	0.6
146.09685	0.6
147.11713	0.9
148.11230	0.6
158.09613	0.4
161.04453	0.8
162.12811	0.5
168.13846	0.7
174.12770	0.8
176.14389	0.5
179.14304	1.0
188.14365	0.6
193.15991	0.5
204.13895	1.2
206.15425	1.1
211.16983	1.3
224.16716	0.4
224.20056	1.9
232.16968	1.3
234.14977	1.0
234.18655	0.6
237.18657	1.9
238.21695	0.9
244.17044	0.6
248.20119	2.3
250.18163	0.4
250.21709	0.8
252.19734	0.8
260.20117	7.4
262.18082	1.5
262.21573	2.2
266.21179	4.3
272.20151	4.5
278.21201	3.9
280.22806	0.8
284.22397	0.4
290.21188	11.0
290.24225	0.8
308.22260	5.1
312.21686	0.6
326.23273	8.4
336.21814	0.4
344.24289	9.2
354.22842	0.9
362.25378	13.0
372.23880	1.7
390.24829	1.3
486.26785	1.9
504.28085	11.5
504.35181	0.8
522.29138	100.0
523.29541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.384
Annotation	21-O-Methyltoosendanpentol
Peak:m/z	Relative Intensity
51.02373	1.8
53.03940	6.1
53.35188	1.4
55.01867	9.2
55.05510	37.2
57.03435	3.2
57.07071	7.1
65.03931	3.6
67.05505	73.5
69.03423	11.1
69.07067	23.9
69.31577	13.5
71.04990	6.9
71.08639	1.8
79.05492	57.8
81.03417	3.1
81.07056	98.9
83.04989	11.3
83.08618	24.8
85.06541	7.1
91.05482	42.0
93.07042	67.4
93.07630	3.6
95.04992	8.1
95.08607	67.5
97.06538	15.0
97.10173	28.2
99.08058	4.3
103.05460	2.0
105.04546	2.6
105.07027	33.7
107.04966	4.2
107.08598	47.4
109.06545	8.7
109.10159	31.3
111.08092	8.4
111.11785	1.4
117.07020	13.1
119.08574	28.6
121.06502	3.1
121.10146	34.0
123.08080	7.8
123.11723	8.8
125.09612	20.0
129.06990	7.3
131.08586	23.7
133.10138	22.4
135.08075	8.4
135.11693	29.3
137.09607	9.9
139.11252	2.4
141.07011	2.5
143.08562	6.2
145.10121	17.6
147.08057	1.8
147.11697	23.9
149.09602	5.7
149.13255	14.9
151.11156	2.2
153.09154	1.8
155.08569	2.9
155.10655	1.6
157.10124	8.0
159.11697	17.2
161.09647	2.3
161.13255	4.9
163.11177	3.6
163.14850	5.6
165.12772	6.5
167.08649	1.5
169.10036	2.1
171.11710	5.4
173.11914	1.5
173.13202	8.3
175.11214	3.7
175.14751	2.9
177.12759	9.7
181.12334	2.0
183.11723	2.7
185.13277	4.9
187.14819	6.1
189.12730	2.6
191.14284	2.6
192.20654	2.0
193.12224	3.1
193.15909	2.0
195.00276	5.4
195.12003	2.2
195.13724	8.9
197.13226	4.6
199.14737	3.5
201.16412	2.2
203.12750	5.1
203.17938	2.4
205.15836	2.0
207.13768	2.0
209.15375	2.9
213.14847	6.6
221.15340	3.9
223.17035	3.1
225.14723	2.0
227.16258	2.8
233.15497	2.6
235.16933	3.4
241.19589	2.1
249.18500	2.7
251.20131	2.0
253.18080	3.5
259.20615	1.9
261.18747	2.4
265.18008	3.7
267.19510	6.7
275.20007	2.1
277.21613	25.9
279.19580	5.4
281.21072	2.1
291.23239	2.4
293.21219	2.1
307.22696	4.1
317.24860	4.9
319.26157	2.4
333.23944	1.9
349.27295	2.6
362.06686	1.7
427.31927	2.5
435.32538	5.1
453.33582	5.9
459.34735	3.8
462.13385	1.8
467.35263	3.4
471.34589	6.3
485.36179	18.7
489.35876	7.4
503.37296	100.0
521.38428	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01860	1.9
55.05507	1.3
57.03415	3.5
57.03678	0.7
58.03743	0.9
60.04523	4.5
61.02913	1.8
67.05482	3.3
69.03435	15.5
69.07038	0.9
70.03745	3.0
70.06596	4.9
71.04969	1.6
73.02904	1.9
75.86199	0.7
79.05474	0.9
80.05009	2.0
81.03418	5.7
81.07033	2.8
82.06564	1.7
83.04941	2.0
84.04482	1.2
84.08124	2.4
85.02436	1.2
85.02908	20.5
86.03234	5.7
86.09686	2.4
86.44466	0.8
87.00383	0.9
87.00838	10.3
87.04480	4.8
88.01142	1.6
88.04813	1.2
89.03926	5.0
91.05441	1.4
93.07031	2.1
94.06534	3.5
95.08585	1.4
96.04486	0.8
96.08144	1.0
97.02905	13.9
97.06499	2.6
97.08877	3.1
98.03226	4.1
99.04420	3.1
100.04775	0.8
105.01871	13.4
105.07004	3.5
106.02178	2.7
106.07332	0.9
107.08548	2.3
109.02891	5.0
109.10124	1.5
110.03138	1.5
110.09659	3.1
111.04414	1.4
111.08075	1.0
115.03932	6.2
115.15332	0.8
116.04298	1.8
117.03389	20.3
117.05712	0.8
119.04876	1.3
119.08543	1.6
120.08079	1.0
121.10150	1.6
127.03925	12.6
128.04288	4.2
129.01764	0.9
131.04939	1.0
131.08562	1.1
132.08026	1.3
133.04942	3.8
133.10094	1.0
134.03656	0.8
134.05244	1.6
135.04376	0.9
137.05927	1.0
137.09593	1.9
145.02855	64.6
145.04901	6.1
146.05289	1.2
146.29742	0.8
147.04364	3.4
147.05396	0.8
149.05984	6.3
150.07570	3.4
151.07932	1.1
152.01897	0.9
159.02852	2.0
160.07588	22.3
165.09164	1.1
174.08954	0.8
176.14276	0.9
177.05481	65.8
177.10207	1.8
178.05699	0.9
178.15857	1.1
179.04829	2.3
186.05495	1.7
189.08893	0.9
192.17416	1.0
193.12216	0.9
202.08673	1.1
207.08641	1.0
223.06018	1.0
223.21664	1.2
231.05008	5.5
232.05252	3.6
236.19971	1.0
238.21625	1.8
242.07373	1.1
249.05911	1.7
250.06354	1.5
250.21516	2.8
253.22762	5.0
261.23172	4.0
265.23373	0.9
273.12396	5.0
273.23148	1.8
275.22067	1.1
291.24115	1.4
296.21036	0.8
311.24146	0.8
327.26440	100.0
328.07306	1.4
328.25089	0.7
329.25043	1.8
338.72751	0.8
343.26627	0.9
345.08041	1.4
345.27280	2.2
346.08365	2.6
359.19290	1.1
361.27826	0.9
485.29868	3.1
503.31204	100.0
504.31427	1.5
521.24518	50.1
521.30780	3.5
522.29095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75595	0.7
54.91029	0.7
55.05508	1.9
56.96567	9.8
57.03439	0.9
65.09064	0.8
67.05473	0.9
69.07056	2.7
71.21786	0.9
72.41832	0.9
72.96051	1.3
81.07057	1.0
83.08640	1.9
85.67523	0.7
97.10154	1.0
102.92603	2.7
118.92082	8.7
131.00191	1.9
136.93126	62.9
149.01193	1.8
154.94180	100.0
172.95245	73.0
177.95792	9.1
180.95703	0.7
190.96284	16.6
192.95619	4.9
195.96846	8.3
209.11522	2.2
210.97086	15.7
212.98349	5.5
213.97745	0.9
228.97864	42.1
230.99405	2.1
233.98366	2.0
246.98959	18.0
251.99460	2.8
263.12646	1.2
264.77295	0.8
270.00546	2.9
285.00482	12.4
293.17941	2.1
303.01566	9.1
311.18903	6.6
311.25800	3.0
326.03171	2.1
329.19943	2.2
335.14798	2.4
357.08878	2.1
364.90497	1.0
373.14322	1.3
391.15488	5.2
429.17157	4.9
447.18204	22.5
465.19290	35.5
470.19727	1.1
475.19919	1.0
488.21082	1.2
503.21506	1.8
506.21945	2.2
521.21948	86.9
522.22473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.9
56.96563	10.3
57.03430	1.6
63.27065	0.8
67.05498	1.6
67.69131	0.6
69.07049	2.7
69.74606	3.9
71.95261	1.4
72.96050	1.0
74.09712	1.2
79.05478	1.1
81.07067	1.1
83.08607	2.6
93.07044	0.9
95.08590	0.7
97.10178	1.6
102.92608	2.9
104.30208	0.6
105.07008	0.8
112.99119	1.2
118.92066	7.8
120.93674	0.7
124.99961	0.9
131.00186	1.8
136.93121	60.3
149.01212	1.4
154.94176	100.0
159.94746	0.8
163.94760	0.8
172.95245	79.3
177.95766	8.6
184.07408	1.1
190.94630	1.3
190.96289	17.6
192.95685	4.1
194.97307	1.7
195.96851	10.7
198.96696	1.0
209.11525	2.1
210.97105	15.0
210.97461	15.2
212.98363	4.5
213.97899	2.0
228.97867	44.7
230.99432	1.8
233.98422	2.4
246.98923	18.1
251.99406	3.3
263.12631	1.0
270.00470	2.7
285.00485	13.7
290.86649	1.1
293.17899	3.1
303.01544	8.1
311.06317	0.8
311.18979	8.2
311.25769	3.6
326.03027	2.2
329.20062	2.4
334.20459	1.5
335.14572	1.5
357.08856	1.8
373.14606	1.3
391.15643	4.9
409.16556	1.2
417.46985	0.7
429.17090	3.2
447.18271	19.3
465.19308	34.7
470.19357	1.1
488.20831	1.4
503.20825	2.0
506.21942	1.1
521.21936	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	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
52.83692	0.2
55.05511	1.2
55.85038	0.2
56.05035	1.4
57.03427	0.4
58.06574	1.4
59.07395	0.3
60.08166	15.7
64.47257	0.2
65.03934	0.3
67.05506	3.3
69.07082	1.4
70.06588	0.3
70.81190	0.3
70.81508	0.4
71.07373	6.5
74.09709	0.3
79.05495	0.9
81.07059	2.6
83.08627	0.5
86.09707	50.5
91.05482	0.5
93.07062	1.0
94.96194	0.2
95.08619	2.0
96.78471	0.2
97.06545	0.2
97.10117	0.3
98.98466	4.0
104.10745	92.2
105.07021	0.6
107.08598	0.5
109.10162	0.7
119.08565	0.2
123.11734	0.5
125.00005	26.7
133.10144	0.5
135.11647	0.3
136.93077	0.2
147.11720	0.3
151.14722	0.2
163.01549	0.7
184.07343	100.0
228.97966	0.2
253.73932	0.2
258.11035	0.8
337.27240	0.8
368.67645	0.3
502.32935	7.8
520.33990	33.2
521.34747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05037	0.6
57.03431	0.1
58.06622	0.5
59.07384	0.2
60.08164	6.4
67.05508	0.7
69.07059	0.3
69.34367	0.6
69.34777	0.1
71.07371	2.9
79.05494	0.1
80.97406	0.1
81.07057	0.7
83.08631	0.2
86.09705	29.5
92.99635	0.1
93.07029	0.1
95.08608	0.4
98.98467	3.0
104.10740	2.8
105.06944	0.1
108.74736	0.1
112.16387	0.1
125.00004	21.1
140.02618	0.1
166.06277	0.1
184.07338	100.0
185.07631	0.2
217.74883	0.1
222.88159	0.1
258.11011	0.2
337.27301	0.2
502.32874	1.1
520.33984	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	520.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01839	1.5
55.05518	3.4
55.05755	0.6
56.05005	1.7
57.03409	1.1
57.07048	0.8
58.06574	0.6
60.04531	7.1
61.02896	0.5
65.03919	0.9
67.01857	0.7
67.05508	6.0
68.04989	1.6
68.99773	0.7
69.03436	2.9
69.07064	4.7
70.02910	0.4
70.06603	2.0
70.06891	0.4
71.04986	0.7
71.57499	0.6
72.04491	1.0
72.08129	0.6
73.02864	0.9
74.06083	0.6
79.05486	3.6
80.05024	6.2
81.03384	1.6
81.07063	7.8
82.06586	0.9
83.04985	2.3
83.08581	1.4
84.04456	1.0
84.08138	0.9
85.02917	4.7
85.06511	1.3
86.03220	0.4
86.06039	0.7
86.09656	1.2
87.00801	0.9
87.04457	0.8
88.07610	0.5
91.05475	3.7
93.03391	0.7
93.07055	8.6
94.06576	6.6
95.04945	1.9
95.08064	0.6
95.08613	8.1
96.04459	0.6
96.08118	0.9
97.02916	1.9
97.06499	1.5
97.10146	1.0
98.06025	1.4
99.04409	0.9
103.05434	0.8
104.07106	0.4
105.01842	1.3
105.07031	4.9
106.06522	0.9
107.04949	0.9
107.08595	7.6
109.02838	0.7
109.06476	1.0
109.09597	0.4
109.10161	3.4
110.06043	0.8
110.09679	0.4
111.04434	2.0
111.08045	0.5
112.03933	1.0
112.07594	0.5
116.07069	0.9
117.07001	0.6
119.04975	2.5
119.08599	4.2
120.05246	0.8
120.08070	1.4
121.02868	0.6
121.06533	0.5
121.10145	4.8
122.03658	0.5
123.08015	0.5
123.11664	1.3
124.07567	0.4
125.06011	0.5
125.09595	0.7
127.03887	1.6
128.03397	0.8
131.04863	1.0
131.08525	1.7
133.10161	2.6
135.08044	0.6
135.10707	0.5
135.11697	7.7
137.05989	9.3
137.09605	0.7
137.13242	1.2
138.05481	0.5
138.06334	3.9
139.03850	0.7
145.02821	0.7
145.04913	1.1
145.10126	4.5
147.04416	2.1
147.11635	1.0
149.13287	0.7
151.11169	0.6
153.01828	8.2
154.02132	2.4
158.11818	0.6
159.11682	3.2
161.05962	1.4
161.13229	1.6
162.06297	0.6
163.03954	0.6
163.07506	0.8
163.11180	1.3
165.05484	0.8
171.02864	1.3
172.06108	2.4
173.13322	0.9
175.14822	1.0
177.05455	0.9
177.16277	0.5
184.06023	1.8
185.05948	0.6
187.07620	0.5
189.16469	0.4
191.06973	0.9
191.08499	0.9
191.17932	0.6
192.07333	0.9
192.08920	0.7
200.05568	0.9
201.16428	2.8
206.06856	0.4
214.18016	1.2
215.07158	0.6
217.08525	0.9
218.07094	0.7
218.09015	0.9
219.07906	1.1
219.17459	2.5
219.19246	0.5
220.08388	0.7
224.20082	1.7
226.21683	0.6
230.06995	0.6
235.07170	1.4
236.20067	2.8
237.18526	1.0
246.06525	0.8
246.22250	2.2
247.07425	1.0
248.08054	1.1
249.06053	0.7
249.08716	0.6
250.09544	0.8
250.21765	0.6
254.21213	1.2
261.09036	0.5
262.06042	0.4
262.09509	2.0
262.21793	2.1
263.06851	0.8
264.07532	0.7
264.23267	1.8
265.08301	1.0
266.09030	0.7
268.22806	0.6
271.06030	68.5
272.06357	100.0
272.22205	1.2
273.07535	4.6
274.06241	0.6
274.21664	2.0
275.06662	1.5
276.07397	0.8
276.23309	0.6
277.08569	0.8
278.09067	1.7
279.09787	0.6
280.10309	0.9
282.24307	0.7
289.08472	1.1
290.09036	2.3
291.09952	0.7
292.07358	0.5
292.10477	1.0
292.22644	5.2
293.07822	0.6
294.08737	0.5
307.09424	2.0
308.10001	4.4
309.10812	0.5
310.11624	1.2
310.23779	2.6
321.11258	1.4
322.11584	5.4
323.12491	0.5
324.13162	1.7
327.12305	1.4
328.12646	4.9
328.24722	4.5
339.12384	1.0
340.12640	4.2
342.13989	0.9
346.26062	2.4
352.24783	0.5
357.13388	0.8
358.13577	3.1
368.24384	0.6
370.25833	0.7
378.22806	3.0
388.26834	1.3
396.23874	3.8
414.24973	2.3
434.11661	2.1
456.29083	0.5
474.30603	0.9
479.17023	0.5
484.29196	0.5
502.30469	5.2
520.11755	6.3
520.31262	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01862	0.7
57.03444	1.9
59.05004	0.3
60.04523	1.8
61.02929	2.0
67.05502	1.4
68.05009	0.6
69.03432	5.7
69.63167	1.4
71.04999	1.7
72.04512	0.6
73.02920	2.1
79.05505	1.7
80.05019	0.8
81.03413	1.9
81.07062	0.9
83.04996	0.4
84.04499	0.4
85.02904	6.3
86.06060	0.3
87.04452	2.1
90.91627	0.2
91.03950	0.6
91.05459	1.4
93.07037	1.0
94.06572	0.4
95.04970	0.4
95.08591	0.5
96.04498	0.6
96.08128	0.3
97.02905	2.5
97.06525	2.1
98.06050	0.6
99.04460	0.8
101.02370	0.5
104.66296	0.3
105.06997	0.6
107.04979	0.4
107.08588	0.5
109.02883	0.8
109.06501	0.4
109.10193	0.2
111.08084	1.4
114.05514	0.3
116.35762	0.3
117.06999	0.4
119.08582	0.7
120.08099	0.5
121.10141	0.6
127.03956	1.2
131.08548	0.3
132.06593	1.1
134.09607	0.4
136.07559	0.7
140.07123	0.3
145.04974	0.4
145.10124	0.3
146.09612	0.3
147.04434	1.4
147.11696	0.3
148.07518	0.3
150.09180	0.5
154.08636	0.3
158.08150	0.4
160.11156	0.3
163.11230	0.8
176.10716	0.3
178.08640	0.4
189.12819	0.3
205.04996	0.4
220.13503	0.3
236.16365	0.4
258.18875	0.3
274.17981	0.5
280.19180	0.3
286.17969	0.9
304.19083	1.3
322.20221	2.1
323.07700	0.5
340.21225	6.4
340.25052	0.5
358.22238	15.8
502.26270	1.1
520.27545	100.0
521.27802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23370	1.0
53.03955	4.8
55.01882	1.7
55.05256	1.4
55.05509	12.5
56.96565	0.8
57.03437	2.4
57.07075	6.5
57.08879	0.9
61.02922	2.4
65.03939	2.6
66.83966	0.8
67.05505	16.8
69.03429	7.2
69.07070	29.9
71.04998	8.3
71.08633	1.6
71.57278	1.2
72.08154	1.2
72.22328	0.8
77.03919	0.9
79.05060	1.6
79.05494	23.3
81.03438	5.2
81.07060	47.3
83.04986	11.8
83.08623	6.8
84.08115	0.9
85.02909	14.2
85.06540	15.3
86.09708	1.2
87.00847	6.3
91.05476	27.4
93.07047	79.2
94.06601	1.2
95.04967	18.1
95.08608	42.8
97.02883	8.2
97.06541	10.0
97.10167	2.6
98.06068	1.2
99.04469	2.5
99.08097	1.7
103.05487	2.1
105.01866	10.9
105.04552	1.8
105.07030	63.7
107.04945	2.1
107.08597	100.0
109.02895	4.8
109.06537	8.9
109.10158	25.2
109.10911	1.2
111.08083	4.7
115.05473	2.8
115.07600	0.9
117.07022	14.0
119.04929	0.9
119.06113	1.4
119.08587	48.5
121.06480	2.4
121.10145	83.2
123.08082	4.1
123.11713	14.1
125.09653	5.1
127.03907	9.3
127.07591	1.2
128.06223	0.9
129.07016	4.0
130.07822	5.5
131.08582	20.5
133.07600	1.6
133.10132	32.5
135.08061	2.9
135.11691	22.9
137.05983	2.6
137.09639	4.8
137.13261	1.7
139.11137	1.7
143.08583	3.0
144.09351	7.0
145.02869	1.3
145.04959	3.8
145.10127	57.6
146.10904	1.3
147.04424	2.4
147.11697	12.2
149.09657	2.0
149.13258	33.0
151.11201	1.5
153.01817	1.0
155.10660	1.1
157.10172	4.0
158.11885	1.5
159.02866	1.2
159.11696	79.7
161.06216	1.0
161.13249	13.8
163.03923	1.4
163.07541	2.2
163.11188	10.9
163.14856	1.3
167.07014	1.8
171.11661	1.7
173.13254	11.4
175.14851	9.1
177.12798	2.9
177.16373	8.9
181.12167	1.8
186.13974	1.5
189.16402	4.8
191.14395	1.3
191.17982	6.0
195.10191	1.5
201.16388	42.6
219.17433	23.7
231.04980	5.9
237.18506	4.6
249.06049	3.0
250.09903	0.8
271.06036	11.1
272.06348	16.7
284.09714	1.1
326.25006	1.1
327.26312	1.2
396.23639	1.2
502.30182	1.2
520.31024	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01867	1.6
55.05528	3.4
56.05043	2.4
57.03435	1.3
59.46162	0.4
60.04530	13.3
61.02914	0.8
64.45972	0.4
65.03947	0.4
67.05507	5.0
68.05039	2.3
69.03424	1.2
69.07072	2.9
69.45397	1.8
69.45821	1.5
70.06605	2.5
71.04980	1.1
72.04514	2.0
73.02917	1.3
74.06080	0.8
79.05490	3.0
80.05022	9.9
81.03434	1.0
81.07064	5.0
82.06580	2.9
83.04993	1.3
83.08618	0.6
84.04497	1.3
84.08132	1.2
85.02902	1.1
85.06549	2.0
85.37028	0.4
86.06066	0.6
87.04471	1.1
89.06042	6.5
89.25496	0.4
90.05562	1.0
91.05472	2.3
93.07057	3.3
94.06017	0.8
94.06577	12.6
95.04980	0.9
95.08128	0.5
95.08623	4.4
96.04518	0.4
96.08130	1.2
97.02924	0.5
97.06535	1.6
97.10178	0.5
98.06064	1.9
98.97603	0.7
101.02362	0.6
102.87722	0.4
105.07055	2.2
106.06542	1.6
107.08605	2.6
108.08145	2.3
109.10162	1.2
110.06033	1.1
110.09687	0.5
111.08096	2.6
116.07098	0.9
116.10675	0.6
117.07075	0.7
119.08584	1.8
120.08118	2.2
121.10143	1.1
122.09641	0.5
129.06917	0.5
131.08618	0.8
132.06586	0.5
133.08626	4.7
133.10147	0.9
134.09642	1.4
135.11658	0.6
137.06032	0.7
137.09602	0.5
138.12749	0.6
142.08618	0.7
145.02831	0.8
145.10094	0.7
146.08142	2.0
147.11725	0.6
148.11246	0.7
159.11739	0.5
160.11166	0.5
161.13248	0.8
162.12883	0.5
177.05495	0.7
177.11232	1.8
179.14337	1.1
190.15878	0.8
206.15485	1.0
208.16982	0.9
212.16344	1.0
218.15483	0.6
224.20129	1.7
226.17960	0.7
230.17577	0.5
234.18582	0.7
236.16458	0.8
236.20151	3.2
244.20683	1.5
246.18634	1.7
248.20181	0.6
250.21788	0.7
254.21198	2.7
261.50922	0.5
262.21570	2.6
264.19580	1.2
264.23242	1.1
266.21036	0.6
274.21671	7.0
280.22925	0.8
282.20703	1.0
282.24255	0.6
292.22693	5.3
300.21863	2.4
310.23920	3.6
326.23196	0.5
328.24838	26.7
340.24878	1.4
346.25870	3.8
352.20847	0.5
358.25955	1.4
368.24448	0.8
370.25735	0.7
386.25238	0.6
388.26981	4.2
396.23706	2.5
414.25153	2.1
502.26129	3.8
503.30740	0.9
520.27509	100.0
521.27728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01873	2.0
55.05520	2.1
56.05041	1.7
57.03429	1.0
57.07084	0.3
58.06601	0.5
59.04995	0.3
60.04531	8.9
61.02930	0.6
67.05173	0.3
67.05511	4.1
68.05053	1.3
68.05341	0.2
69.03430	2.0
69.07076	1.4
69.36515	2.0
70.06596	2.6
71.01366	0.3
71.05012	1.6
72.04516	1.2
72.08145	0.4
73.02927	4.0
74.06089	0.7
76.07636	0.4
79.05499	2.9
80.05025	7.0
81.03413	0.9
81.07067	4.3
82.06590	3.0
83.04984	1.2
83.08627	0.6
84.04498	1.4
84.08138	0.7
84.70463	0.3
85.02922	1.9
85.06534	1.1
86.06081	0.5
86.09694	0.4
87.00848	1.8
87.04492	0.2
90.05571	0.7
91.05504	1.8
93.07056	3.0
94.06576	8.8
95.04937	0.7
95.08617	3.0
96.08130	1.0
96.12626	0.2
97.02911	2.0
97.06512	1.5
97.10137	0.3
98.06059	1.2
98.20656	0.3
99.04482	0.3
100.07734	0.2
101.02369	0.8
101.06060	0.2
101.07118	0.3
103.85516	0.3
105.01888	0.4
105.07040	1.3
106.06560	1.0
106.57671	0.2
107.04957	0.3
107.08615	1.9
107.90913	0.2
108.08124	1.4
109.02836	0.2
109.06495	0.4
109.10163	0.9
110.06057	0.7
110.09676	0.4
111.08098	1.8
112.07633	0.4
113.02377	0.7
114.76160	0.2
115.03934	0.7
116.07111	0.9
117.07011	0.6
119.08599	1.1
120.08109	1.7
121.10146	1.7
122.06073	0.3
122.09635	0.5
123.08118	0.6
124.07592	0.5
124.11298	0.3
126.09164	0.4
127.03934	0.8
129.01855	1.1
129.06998	0.3
131.08559	0.8
132.06560	0.5
133.10139	0.8
134.09645	1.2
135.11732	0.5
137.05846	0.3
138.12801	0.6
142.08655	0.5
145.02850	0.8
145.04955	0.4
145.10146	0.9
146.08145	2.2
147.11684	0.6
148.11252	0.3
152.14398	0.3
159.11639	0.3
161.13228	0.4
162.12793	0.4
165.12798	0.3
173.13231	0.3
175.02318	0.5
177.05460	0.4
179.14403	1.4
180.13849	0.8
190.15898	0.3
194.15453	0.3
201.16434	0.3
206.15416	0.9
208.17006	0.8
218.15402	0.4
218.18948	0.3
219.17465	0.8
220.16905	0.5
224.20142	2.0
234.18539	0.3
236.16402	0.4
236.20128	3.8
237.18530	0.4
238.21564	0.4
244.20682	1.2
246.18538	0.6
248.20082	0.7
249.06021	0.8
250.21629	0.4
251.20108	0.6
254.21155	5.1
262.21704	3.0
263.19962	0.4
264.19537	0.6
264.23260	1.0
266.21207	0.9
274.21667	5.6
280.22739	0.3
282.20816	1.1
282.24023	0.2
292.22729	7.2
294.20694	0.3
296.22256	0.2
300.21771	1.5
302.37906	0.3
304.22757	0.4
308.22357	0.3
310.23761	4.0
312.21661	0.3
320.22195	0.8
322.23773	0.4
325.24911	0.4
328.24835	14.2
338.23291	0.6
340.24759	0.6
342.22784	0.5
342.26450	0.5
346.25909	7.2
356.24316	1.2
358.22018	0.3
358.25790	1.2
360.27487	0.8
368.24445	0.4
374.25388	4.0
386.25351	0.4
388.26715	0.4
428.22711	0.5
432.26013	0.3
443.99628	0.3
446.23621	0.9
484.25677	0.3
502.26501	1.7
520.27454	100.0
521.27905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40832	4.5
53.03938	11.4
54.00084	3.5
55.01862	7.6
55.05515	32.6
56.96553	4.4
57.03424	9.0
57.07098	3.9
58.18865	4.2
59.04994	3.6
60.44019	3.8
61.02915	5.0
65.03927	5.4
67.05517	31.8
69.03436	26.4
69.07076	45.6
69.66431	3.5
70.06582	9.7
71.04990	10.4
71.57494	7.1
73.02896	4.3
79.05495	24.7
81.03423	26.3
81.07061	64.3
83.04975	11.3
83.08607	9.1
85.02908	60.0
85.06542	6.4
86.09720	6.9
87.00832	21.7
87.04446	5.9
91.03954	4.5
91.05490	44.0
93.07053	99.2
94.06551	6.6
95.04970	11.8
95.08611	57.1
97.02882	24.3
97.06542	16.0
97.10150	7.6
98.97606	7.9
99.04469	10.9
99.08086	5.0
103.05453	5.1
104.44695	3.9
105.01866	20.1
105.07039	75.7
107.04984	4.2
107.08601	75.1
109.02882	23.7
109.06526	74.5
109.10173	35.1
110.09712	5.0
111.08099	7.3
111.11713	7.6
117.07055	10.2
119.04949	6.7
119.08595	56.1
121.06527	5.4
121.10134	49.9
123.08081	17.9
123.11712	14.2
125.09610	7.1
127.03913	35.1
129.07004	5.8
131.08553	20.0
133.10129	37.6
135.08063	8.1
135.11705	100.0
137.05942	6.3
137.09627	8.0
137.11943	4.7
137.13281	4.1
139.11183	12.2
141.33339	4.0
143.10675	4.4
145.04977	13.7
145.10138	46.6
147.04417	26.7
147.11697	19.2
148.04744	7.4
149.06137	3.7
149.09619	7.0
149.13229	9.3
151.11182	10.7
155.13046	5.8
157.10234	4.1
159.02916	11.6
159.11713	40.5
161.13301	27.7
163.11180	14.6
171.11707	4.6
173.13289	12.7
175.14799	27.7
177.12766	5.7
177.16350	7.5
183.67691	4.2
193.12320	4.8
201.16399	64.2
203.17966	4.9
214.57222	4.8
215.07022	5.0
219.17442	83.9
231.04955	8.7
237.18491	14.3
259.09760	5.3
262.23737	4.1
271.06030	13.9
272.06299	19.2
280.13391	4.1
297.09622	4.0
327.26358	12.8
340.25150	4.1
358.29398	5.3
373.27051	5.0
374.27234	11.9
502.29974	5.8
519.76886	4.4
520.30273	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	520.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05516	7.4
56.96558	0.7
57.03440	6.1
57.07066	1.0
57.29954	0.5
60.04510	0.6
60.08169	3.4
65.03930	1.2
67.05510	28.5
69.07069	7.5
69.57384	3.4
71.04978	0.5
71.07363	1.8
79.05067	0.9
79.05496	14.1
81.03403	0.8
81.06580	1.3
81.07059	25.2
83.04993	0.7
83.08616	2.3
86.09216	1.1
86.09707	14.5
87.10020	2.7
88.03999	6.2
91.05477	6.6
93.07047	14.4
95.04963	1.4
95.08608	17.0
97.06521	1.7
97.10166	1.2
98.98466	7.2
104.10765	1.6
105.04539	0.7
105.07032	4.2
106.05030	1.6
107.08600	6.4
109.10148	6.3
111.64499	0.6
115.34039	0.6
117.07015	1.2
119.08606	3.9
121.10140	6.4
123.11697	2.0
125.00018	8.4
125.09706	0.7
126.00330	1.3
127.00420	2.0
131.08574	1.9
133.10184	2.0
135.11720	2.8
145.10167	1.4
147.11679	1.4
149.13254	1.3
153.85545	0.6
159.11716	0.8
161.13330	0.6
173.02071	1.3
173.13208	0.7
184.07349	34.5
185.07730	14.9
186.07785	9.7
230.16837	0.6
230.53079	0.5
243.21117	0.8
260.05307	0.9
261.22134	1.3
277.23050	0.6
293.63852	0.5
308.89548	0.5
335.25806	100.0
348.25235	1.6
349.16861	1.7
415.21725	0.6
502.32108	1.1
520.32990	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05513	12.4
56.96563	6.6
57.03440	9.1
60.04530	20.5
60.08163	2.9
61.02923	4.8
65.03921	1.9
67.05509	48.2
69.03413	2.2
69.07070	16.5
69.96420	7.9
70.02952	6.2
79.05503	25.1
81.03404	1.9
81.07061	39.6
83.04941	1.8
83.08612	5.2
85.02896	5.2
86.09718	7.4
87.10033	2.0
87.40038	1.7
88.03997	99.8
91.03977	2.6
91.05484	16.2
93.04488	1.5
93.07046	32.4
95.04990	3.6
95.08609	33.4
97.02896	3.9
97.06560	2.5
97.10175	3.9
98.20832	2.5
98.98471	51.3
101.02399	1.7
104.10743	13.1
105.07048	13.4
105.11099	2.1
106.05034	44.7
107.08603	19.8
109.06548	3.1
109.10162	14.6
110.97689	1.7
117.07021	4.4
119.08588	13.2
121.10155	12.4
123.11726	5.9
124.99976	3.7
128.98677	1.9
131.08580	6.6
133.10153	8.5
135.11681	9.5
137.09750	1.8
137.13177	2.6
145.10124	6.4
147.03011	2.6
147.11671	5.1
149.13277	6.9
155.01059	17.5
156.17453	1.5
158.99710	2.0
159.11699	6.3
161.13283	4.1
163.14825	4.2
173.02126	9.8
173.13269	4.3
175.14807	2.1
184.07365	12.4
185.07645	3.4
186.01669	1.9
199.06415	2.2
233.22723	2.0
243.21117	9.7
251.09795	2.2
255.09047	6.7
260.05368	3.7
261.22144	25.1
267.09048	5.0
269.10577	6.4
269.17270	2.3
275.20178	2.3
284.12793	2.4
285.10126	5.0
316.11728	5.7
317.24609	1.9
331.15714	3.5
335.25824	100.0
348.25436	7.7
349.16867	8.3
365.15430	5.6
367.17825	7.8
390.19318	2.9
415.22446	4.1
447.21774	1.9
520.32642	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	520.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.9
55.01847	6.5
55.05511	1.8
57.03442	13.9
57.84488	1.6
59.04984	2.0
60.04499	7.0
61.02897	4.8
67.05485	2.7
68.99776	2.2
69.03434	69.9
69.07043	1.5
70.02377	2.7
70.02724	7.1
70.06576	3.8
71.01344	1.5
71.04959	5.1
72.08137	1.7
73.02890	6.3
79.05476	4.0
80.04988	2.3
81.02994	1.6
81.03423	23.3
81.07038	2.2
82.06589	1.7
83.04946	6.7
85.02907	87.2
87.00837	39.8
87.04472	19.6
91.05434	2.5
93.07030	3.0
95.04944	1.9
95.08585	2.6
97.02895	67.2
97.06522	2.3
99.04459	14.8
105.01874	71.5
105.07002	9.1
107.08591	2.1
109.02885	31.8
109.03602	3.6
110.37855	1.6
111.04395	4.4
115.03188	2.3
115.03928	34.2
117.01833	3.0
120.08031	2.7
121.06441	1.9
123.04394	3.4
124.64416	1.7
126.05502	2.1
127.03922	72.5
129.01863	2.8
129.05452	3.4
133.04973	17.6
139.03813	4.7
145.03908	2.7
145.04964	30.9
147.02831	2.6
147.04424	2.6
150.07632	22.5
159.02922	10.8
159.04039	2.3
177.05432	4.0
182.53796	1.8
189.03903	5.7
196.29288	2.0
199.56691	1.5
201.03806	3.6
205.04895	4.4
213.03810	4.8
213.08974	5.6
220.21500	1.6
223.05978	3.3
231.05020	41.6
231.10028	2.2
236.19832	2.2
241.06955	6.6
249.06102	15.2
273.06018	2.5
292.22849	1.8
301.08875	2.0
327.07068	9.7
328.24667	4.6
335.10965	4.6
342.26331	2.4
345.08197	17.2
353.12198	2.3
358.19223	2.5
363.08939	4.6
377.87109	1.9
388.16071	2.2
396.24060	3.3
414.24271	2.5
434.71497	1.7
520.24298	100.0
521.24414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01872	0.7
55.05498	1.1
56.05038	0.9
56.96568	5.1
58.00722	0.5
60.04531	4.2
60.23943	0.5
64.45106	0.5
67.05510	1.2
69.03435	2.3
69.07078	0.9
69.46635	3.4
70.06592	3.3
72.04515	0.7
72.08176	1.5
79.05507	1.3
80.05032	1.6
81.03432	0.7
81.07062	2.0
82.06596	1.0
83.05026	0.6
84.04516	0.6
84.08160	2.7
85.02926	2.7
86.09718	1.9
89.03923	6.5
91.05508	2.2
93.07072	1.5
94.04202	0.5
94.06588	1.8
95.05000	0.7
95.08611	1.3
96.08170	1.0
97.02915	1.0
97.08923	3.1
98.97592	8.6
102.04709	0.5
102.85831	0.5
103.05495	2.5
105.07035	0.9
106.06625	0.6
107.04997	0.7
107.08595	0.8
108.08109	0.7
109.10184	0.6
110.04495	0.5
110.09704	4.3
110.97575	0.9
112.99130	4.9
115.03864	0.6
116.98633	2.6
117.03394	22.9
117.07047	0.7
119.04947	1.4
119.08606	0.7
120.08163	1.4
122.03688	1.9
123.04533	0.7
124.11251	0.6
127.03961	1.3
131.00175	4.6
131.04976	1.8
132.06569	2.6
134.03636	1.3
135.04398	1.4
137.05988	46.6
143.00191	1.1
143.04959	3.3
145.02858	67.5
147.04477	2.2
149.01236	4.2
149.05989	7.1
151.03932	7.0
151.05005	0.7
158.99707	3.3
159.11716	0.9
161.06041	1.0
163.03960	2.0
163.07623	2.1
164.14371	1.3
167.02284	0.6
171.03355	0.7
174.12779	0.6
175.07614	1.3
177.00764	2.1
177.05481	71.0
178.16008	2.4
185.01401	0.7
186.05533	1.3
187.07533	0.5
190.16019	0.8
191.02391	1.0
191.07089	0.6
192.17599	1.7
194.19115	1.5
199.02821	1.1
205.08684	1.2
206.19179	0.7
210.18506	3.3
217.03917	0.7
221.08620	0.6
224.20055	0.9
227.02425	0.7
230.32230	0.5
236.20143	5.8
237.23299	0.9
237.30939	0.6
239.09550	5.7
243.09065	0.6
247.21706	3.9
248.20181	0.9
255.09209	1.7
257.10590	4.0
259.21777	4.7
265.07599	2.1
266.21286	2.3
271.21707	1.1
272.20178	0.6
277.22803	4.9
283.08521	9.0
289.22806	6.0
293.05554	1.4
299.06277	0.9
301.09622	5.0
306.10202	0.6
319.10867	1.3
325.24866	18.0
327.09039	0.8
327.12308	3.7
327.26605	1.6
339.12534	1.0
343.25961	53.3
346.25882	0.7
357.13290	4.9
361.02542	1.6
413.19492	0.7
483.24023	1.0
487.28055	1.7
501.18866	0.8
501.30002	13.5
519.18207	59.4
519.30731	100.0
520.18250	1.3
520.28796	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	519.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12809	0.3
55.01861	0.3
56.96548	0.3
60.22075	0.2
67.78487	0.2
70.06600	0.5
70.69149	0.6
70.69479	0.4
79.05530	0.3
81.07069	0.3
81.77328	0.3
91.05457	0.4
95.05003	0.3
97.02928	0.3
102.02306	0.3
105.07026	0.4
107.08572	0.3
110.09679	0.4
111.52864	0.3
113.36823	0.3
116.65439	0.3
119.08617	0.3
127.04046	0.3
137.06004	1.0
158.99567	0.4
161.06041	0.4
174.85760	0.3
244.18268	0.3
267.81427	0.3
271.06174	0.4
307.09555	0.5
321.11368	0.4
327.12338	0.6
339.12265	0.6
357.18872	2.9
357.23010	0.4
357.25043	0.3
361.76563	0.3
397.29926	0.3
459.15479	0.3
459.22281	0.7
469.20132	0.3
487.21567	1.1
501.23166	0.6
501.29477	0.3
519.24170	100.0
520.24451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72180	0.3
58.85851	0.3
59.05080	0.3
69.03427	1.2
70.06584	1.1
70.95846	0.4
70.96171	0.5
72.08157	0.7
81.03429	0.3
85.02903	1.1
86.09709	1.3
87.00851	0.5
87.04489	0.4
89.71811	0.3
91.05576	0.3
93.07076	0.4
97.02914	0.9
98.53567	0.3
98.97632	0.5
105.01862	0.5
115.03971	0.4
115.60200	0.3
116.98626	0.3
127.03914	0.7
137.05998	0.5
162.22594	0.3
174.64737	0.3
177.05482	0.4
178.07959	0.3
182.58147	0.3
199.16553	0.3
200.41840	0.4
203.05344	0.7
210.80164	0.3
214.98558	0.3
238.12875	0.3
259.07889	1.1
277.37677	0.3
283.15134	0.6
291.03732	0.3
339.17944	0.4
357.18933	3.5
459.22009	0.5
469.20276	0.4
487.21759	1.2
519.24200	100.0
520.24591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1136
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.33990	0.1
58.82394	0.1
65.19641	0.1
67.01867	0.4
68.99475	0.1
68.99802	0.3
81.03416	0.1
85.02890	0.1
86.73033	0.1
91.05466	0.3
109.02877	0.1
109.83510	0.1
111.00773	0.1
119.04947	1.6
121.02865	0.5
127.03844	0.1
129.01875	0.1
145.02829	0.5
145.04718	0.1
148.32210	0.1
153.01836	4.1
163.03902	0.3
171.02887	0.3
187.03889	0.1
203.07080	0.2
225.05447	0.2
229.05002	0.3
243.06483	0.2
247.05991	0.2
271.06012	100.0
272.06369	0.7
334.04736	0.1
394.49011	0.1
395.22397	0.1
433.11365	1.7
475.12140	0.1
501.10172	0.2
519.11346	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	519.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01883	2.4
55.05495	0.5
57.03413	0.6
65.03934	0.6
67.01846	0.4
67.03027	0.4
67.05524	0.4
68.99812	0.3
69.03423	2.4
69.46716	1.2
69.47141	1.5
72.39750	0.3
79.05499	0.7
81.03413	0.9
81.07058	0.8
85.02913	5.3
91.05474	1.6
93.03430	0.6
94.04169	1.2
95.08578	0.3
97.02892	1.4
103.05488	1.8
105.07047	1.3
107.04927	0.5
109.02889	0.8
109.06479	0.4
111.04452	0.8
115.05450	1.4
117.07021	0.6
119.04932	2.1
119.08586	0.4
120.08180	0.4
122.03671	2.6
125.05937	0.8
127.03922	1.3
129.07022	1.1
131.04945	3.1
133.06493	0.6
137.05988	26.7
143.04933	1.0
145.02856	0.7
145.04945	0.6
146.03668	0.7
147.04395	1.3
149.06010	0.7
150.03172	0.5
151.03857	0.7
153.01842	4.0
153.05481	1.0
155.04918	0.7
157.06516	1.2
160.05208	0.5
161.05991	4.2
163.03914	0.5
163.07591	3.1
165.05481	3.4
171.04402	0.8
173.05965	0.7
175.07591	2.4
177.05490	1.9
178.07890	0.5
179.08597	0.5
183.04419	0.5
185.05995	0.6
187.07559	1.1
189.07025	0.8
190.07811	1.1
191.07043	4.1
191.08609	1.4
199.07590	1.0
203.06987	1.7
205.06529	0.6
206.07242	0.7
207.08080	1.3
208.08861	0.6
215.07047	1.6
217.06512	1.0
217.08597	3.7
218.07274	2.6
219.08031	3.6
220.08882	0.5
221.06050	0.8
221.08038	0.5
229.06511	0.8
231.08023	1.0
234.06735	1.7
235.07613	2.1
236.08345	1.4
245.05939	0.6
246.06783	2.4
247.07571	4.6
248.08276	1.1
249.05530	0.4
249.09091	2.0
250.10010	0.7
251.07076	0.5
251.10808	0.6
252.07700	0.5
257.06018	1.6
258.06799	0.4
259.07486	1.1
261.09100	4.3
262.06342	0.8
263.07059	1.9
264.07788	2.0
265.08536	1.4
266.09311	0.7
267.10184	1.0
271.06027	100.0
272.06375	0.8
274.06332	2.0
275.07095	2.6
276.07877	0.7
277.08612	4.8
278.09448	1.2
279.06943	0.4
279.10165	2.7
289.08609	7.3
290.09311	1.1
291.06793	0.7
291.10168	2.0
292.07132	0.9
293.08322	0.4
293.11703	0.4
294.08847	1.8
295.09781	0.7
297.11209	0.5
306.08871	1.7
307.09671	13.5
308.10400	0.6
309.11194	4.7
311.12842	0.6
321.11215	16.0
321.15002	0.8
323.12802	4.8
327.08340	0.8
327.12286	14.1
339.12292	15.1
341.13943	2.2
357.13345	9.9
357.20135	0.4
395.22415	0.7
412.21735	0.4
433.11218	1.1
497.28284	0.4
519.11371	3.6
519.23901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01884	6.5
55.05515	46.2
56.97844	1.3
57.03434	4.5
57.07071	2.6
59.04992	5.3
63.77140	1.4
65.03939	3.9
65.73376	1.1
67.05507	100.0
67.38293	1.1
69.03423	5.4
69.07084	11.1
71.05008	6.1
71.28322	1.6
72.08151	12.8
72.14527	1.2
73.02899	5.5
79.05495	24.7
81.03421	36.2
81.06584	1.9
81.07062	36.7
83.04990	14.5
83.08148	1.7
83.08624	29.1
84.65641	1.2
85.02902	12.6
85.06544	4.9
87.04479	6.8
91.05482	25.2
93.07047	20.9
95.04980	15.8
95.08611	15.0
97.02864	3.5
97.06512	4.5
97.10170	27.3
105.07034	14.5
107.04962	6.5
107.08604	15.0
109.06516	3.9
109.10164	78.8
111.04456	3.3
111.08111	11.1
112.99989	3.2
117.07037	2.3
119.08597	16.5
121.06538	1.9
121.10126	7.5
123.08086	3.8
123.31186	1.3
125.09642	26.6
129.07024	6.8
131.08583	12.8
133.10109	14.3
135.08067	1.6
135.11703	7.5
137.09604	7.6
142.07729	1.4
143.10692	3.2
145.10112	5.6
147.08049	4.3
147.11708	10.3
149.09601	4.5
153.12740	3.9
155.08679	1.8
155.10680	22.1
157.10129	10.8
157.12221	3.4
163.11191	11.3
165.12810	1.8
173.11743	66.5
175.11169	9.7
181.12209	3.4
187.13281	4.6
191.10678	5.5
193.12253	49.6
199.13354	2.9
209.11743	9.6
211.13316	29.9
223.13286	3.4
225.14828	5.1
227.12798	5.8
287.10806	1.3
330.36011	1.4
406.30194	2.7
478.70547	1.5
533.06958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01876	6.0
55.05511	45.6
57.03430	6.3
57.07067	1.8
59.04993	5.8
65.03931	5.8
67.05507	100.0
69.03421	6.1
69.07067	17.0
70.61811	3.1
70.62166	4.4
71.01350	3.1
71.04988	5.8
72.08154	6.3
72.78512	1.7
73.02904	3.5
79.05058	3.6
79.05494	44.3
81.02974	3.0
81.03423	33.1
81.07056	59.5
83.04979	13.0
83.08618	31.0
85.02904	11.1
85.06553	5.2
87.04459	4.4
91.05480	52.7
93.07046	39.6
95.04971	20.6
95.08614	21.0
97.02879	5.5
97.06520	10.3
97.10167	28.4
99.08108	3.7
104.10732	2.2
105.07025	31.1
107.04939	8.7
107.08594	21.5
109.06514	6.8
109.10157	71.4
111.04481	1.8
111.08067	8.1
113.00023	6.2
117.06997	5.7
117.88293	1.8
119.08587	25.2
121.06500	2.4
121.10155	15.3
123.08073	4.8
123.11699	5.5
125.06054	2.1
125.09626	27.8
129.06998	10.5
131.08582	17.3
133.06369	2.3
133.09233	3.0
133.10133	29.4
135.11696	20.6
137.09602	5.6
142.07848	1.9
143.10696	4.0
145.10117	13.0
147.08015	3.9
147.11693	35.9
149.09651	6.9
149.51917	1.9
153.12788	2.4
155.10686	21.6
157.10133	20.8
163.11179	11.9
165.12782	14.7
173.09584	4.0
173.11743	78.9
175.11183	26.9
181.12225	11.0
186.01787	1.7
187.13326	8.3
191.10683	4.5
193.12244	63.7
199.13370	2.0
207.13768	2.1
209.11760	7.1
211.13272	16.2
222.13177	1.7
223.13252	2.0
225.14870	10.4
227.12848	5.7
247.14474	1.8
264.62881	1.7
292.01425	1.9
311.25876	2.8
331.26801	1.9
332.26691	2.5
406.30331	3.8
411.38223	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
55.87418	0.1
56.05037	0.4
57.03439	0.1
58.06622	0.5
59.07381	0.2
60.08167	6.0
67.05496	0.6
69.07055	0.1
70.06601	0.2
70.95842	0.1
70.96198	0.1
71.07377	2.8
79.05487	0.3
81.07041	0.5
81.46642	0.1
83.08655	0.1
86.09709	29.1
91.05521	0.2
93.07038	0.2
95.08596	0.3
96.14311	0.1
97.06519	0.1
98.98467	2.8
104.10747	2.7
105.07043	0.1
107.08589	0.2
109.10159	0.1
119.08575	0.1
125.00010	19.8
143.01073	0.1
150.59834	0.1
151.43146	0.1
166.06351	0.1
173.81433	0.1
184.07346	100.0
185.07686	0.2
258.10962	0.2
335.25720	0.1
500.31488	1.2
518.32562	3.1
525.50006	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
51.09055	0.4
52.52306	0.4
53.96653	0.4
54.12595	0.4
55.05521	1.0
56.05034	1.1
58.06607	1.2
59.07364	0.4
60.08166	15.6
67.05503	2.6
69.07064	0.9
69.86269	2.2
71.07382	6.9
79.05482	1.5
79.45734	0.4
81.07047	1.9
83.08640	0.5
86.09709	48.5
88.32216	0.4
91.05474	1.2
93.07034	1.4
93.63012	0.5
95.08598	1.1
97.06511	0.4
98.98479	3.7
104.10749	100.0
107.08659	0.5
119.96735	0.4
125.00011	26.2
125.46535	0.4
130.40767	0.4
163.01543	0.8
173.93697	0.5
184.07349	93.1
223.86127	0.4
258.11047	1.1
335.25943	1.1
380.21005	0.5
456.81171	0.4
500.31387	10.4
518.32471	36.3
519.32977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.1
53.24903	0.4
54.03433	1.0
55.01825	2.6
55.05465	2.8
56.04986	1.6
57.03396	0.6
58.06550	0.5
60.04475	1.9
65.89500	0.6
67.05506	4.9
68.04981	1.4
69.03387	1.0
69.07022	1.7
69.73498	2.7
70.02889	1.6
70.06540	2.1
70.06885	0.5
71.01314	0.6
71.04967	1.0
72.04456	1.3
72.08095	0.8
73.02916	4.0
74.61321	0.4
75.44261	0.4
79.05491	3.6
80.04956	2.0
81.03367	2.0
81.03814	0.5
81.07064	4.8
82.02912	0.7
82.06518	1.5
83.04984	3.0
84.04508	3.4
84.08130	1.3
85.02844	1.3
85.06476	1.7
85.22885	0.5
85.24097	0.5
86.06030	0.8
86.09653	1.2
91.05486	5.5
92.05764	1.1
93.07051	4.1
94.06582	2.8
95.04921	1.7
95.08616	2.8
96.04420	1.9
96.08111	1.2
97.02854	0.5
97.06492	0.7
97.08881	0.9
98.02375	0.5
98.05998	1.8
98.97499	0.6
99.04402	0.5
100.03976	2.8
102.05488	0.7
105.07036	2.3
106.06542	0.6
107.04942	1.1
107.08595	2.2
108.04430	0.8
108.08070	1.2
109.02838	0.8
109.06454	0.6
109.10110	1.5
110.02377	0.6
110.05961	2.0
110.09624	1.7
111.04407	0.8
111.08095	2.6
111.09969	0.7
112.03984	8.5
114.05499	0.9
116.07050	0.6
117.01904	0.5
117.07012	0.9
118.06524	0.5
119.04127	0.5
119.04947	6.8
119.08631	2.4
120.05260	3.3
120.08048	1.4
121.02854	0.7
121.05443	0.7
121.06444	1.1
121.10072	1.8
121.31038	0.5
122.05958	1.3
124.03922	0.8
124.07552	1.1
126.05437	1.7
127.03875	0.8
128.03445	7.4
128.07063	0.8
129.06941	0.7
131.00151	0.6
131.08543	1.1
132.08002	0.7
133.10112	1.3
134.05995	0.7
134.09628	0.8
135.07953	0.6
135.11665	0.6
136.07518	1.2
138.05440	1.6
140.03377	0.5
142.04948	0.6
143.08519	0.7
144.06543	1.0
145.02852	0.6
145.10100	1.0
147.04417	13.2
147.11687	1.2
148.04758	9.9
148.07484	0.6
149.04987	5.3
149.09499	0.8
150.05278	1.5
152.07115	0.7
153.01831	2.7
156.06506	1.0
157.10091	0.9
158.04457	1.1
159.11636	1.1
160.07523	0.9
162.05438	0.9
164.03391	0.8
164.07018	0.7
166.04961	0.9
168.06560	0.8
171.11603	0.8
172.04678	0.8
172.06053	13.7
173.13199	0.6
177.05339	0.5
182.04388	0.7
182.08156	0.9
184.06058	16.3
184.09554	0.5
198.07590	0.9
200.05563	8.2
210.07465	0.6
217.15887	1.0
224.05595	0.6
224.09140	1.0
235.16997	0.7
259.09430	0.7
261.23221	1.4
262.23615	1.6
263.23972	1.0
271.06021	79.0
273.23215	0.8
274.14243	0.7
274.23685	1.1
275.24100	0.6
278.21066	0.7
288.07047	0.6
290.21106	1.1
291.21521	0.5
292.15533	0.7
302.17456	0.7
302.21078	0.9
302.70117	0.6
304.22711	0.7
309.25305	0.9
310.25613	1.2
311.26001	2.0
312.19482	0.6
312.26346	0.9
314.21268	1.1
320.15009	0.9
320.21982	1.2
327.26376	1.3
330.20679	1.5
332.22427	0.7
338.16040	4.2
338.23184	0.8
348.21667	3.7
350.23306	1.6
356.27374	0.7
358.19916	1.2
366.22876	3.9
369.27405	1.7
370.27847	7.9
371.28067	12.6
372.28326	13.6
376.21222	3.2
390.22479	0.8
394.22253	100.0
395.22638	0.9
404.20703	0.6
408.23743	0.6
412.23294	4.3
422.21704	2.1
426.24930	1.3
433.11224	1.1
446.21851	0.8
454.24536	1.0
464.22900	1.7
482.23788	7.8
500.24734	6.9
500.30362	0.7
518.32141	38.2
519.11450	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	518.2601
Annotation	Lys Asn Gln Glu
Peak:m/z	Relative Intensity
55.01866	1.2
55.05519	0.3
55.76506	0.3
56.05051	0.3
57.03429	1.1
60.04529	2.5
65.23840	0.3
67.05508	1.4
68.05023	0.8
69.03433	3.1
70.06597	0.4
70.43739	0.4
70.95244	0.9
71.01352	0.5
71.05008	1.7
73.02934	1.3
79.05508	2.2
80.05019	1.1
81.03426	0.5
81.07062	1.4
82.06572	0.5
83.04975	0.6
84.04517	0.6
84.08177	0.4
85.02909	2.3
86.06083	0.4
87.04494	1.5
90.05616	0.4
91.05473	1.8
93.07049	1.3
94.06566	0.8
95.04973	0.4
95.08606	0.6
96.04532	0.5
97.02895	1.2
97.06543	2.5
98.06081	0.4
105.07026	1.1
106.06569	0.5
107.04958	0.4
107.08579	0.6
108.04427	0.4
108.08125	0.5
110.06067	0.6
111.08086	1.7
112.04009	0.3
112.07623	0.4
113.02386	1.0
115.03916	0.4
117.07010	0.6
119.08598	1.1
120.08131	0.4
121.10153	0.6
122.06011	0.6
122.09675	0.5
122.48357	0.3
123.08105	0.6
124.07628	0.5
125.02318	0.4
126.09116	0.3
129.09108	0.4
132.06575	0.9
132.08110	0.6
133.10147	0.7
134.09621	0.6
136.07607	0.7
137.09630	0.5
142.08859	0.4
143.08659	0.4
145.10170	0.6
147.04453	1.0
147.11681	0.4
148.07616	0.6
148.11244	1.0
150.09146	0.5
154.08679	0.5
160.11250	0.5
163.03949	0.8
163.11195	0.7
164.04279	0.7
164.10680	0.5
170.11835	0.3
172.11235	0.3
182.11801	0.4
196.09700	0.4
199.46533	0.3
202.12357	0.4
220.13364	0.4
224.12764	0.7
236.16501	0.5
242.13959	1.2
246.14978	0.4
262.18045	0.4
270.17215	0.3
274.17947	0.6
280.19153	0.5
282.17023	0.7
286.18100	1.0
292.19449	0.3
304.19095	1.2
310.20172	0.5
322.20129	1.3
340.21173	4.8
358.22241	7.1
386.21646	0.7
400.23605	0.7
410.21588	0.3
416.22891	0.6
428.22720	2.6
470.24103	0.5
488.24872	0.8
500.24847	1.4
518.26007	100.0
519.26282	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	36.5
67.60860	33.4
68.83913	34.5
69.07089	38.1
70.85287	98.8
81.07076	51.5
91.05488	55.0
93.06999	37.2
109.10224	37.0
118.54495	33.8
133.10144	100.0
139.36226	37.6
179.43199	36.7
403.28445	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	517.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01878	5.8
55.05516	27.7
57.03444	5.4
57.07048	1.7
59.05001	2.0
67.05507	29.8
67.10942	1.0
69.03417	4.0
69.07073	12.6
69.92680	5.1
71.01343	1.0
71.04969	2.6
71.86356	1.1
73.02909	1.9
77.49638	0.9
79.05493	20.7
81.03402	5.0
81.07057	15.9
83.04959	4.9
83.08615	12.4
85.02901	13.1
85.06588	1.2
87.04456	4.2
91.05486	7.0
93.07053	7.2
95.04959	4.8
95.08598	7.4
95.89068	1.0
97.02910	1.2
97.06533	100.0
97.10178	21.0
103.03917	1.8
105.07027	5.4
107.04947	1.2
107.08617	7.8
107.46110	1.1
109.06500	1.5
109.10156	15.2
111.08076	1.5
112.99998	4.1
113.06010	1.3
115.05473	2.2
119.08604	5.9
121.10133	2.9
123.08054	2.7
125.09626	20.5
131.08580	2.3
133.02840	3.0
133.10103	2.0
135.04405	1.4
135.08029	1.2
137.09576	1.1
143.04887	1.5
143.10645	2.2
145.02769	1.4
145.10121	1.5
147.11662	2.3
155.10654	2.0
159.04347	2.0
161.02371	5.4
162.03127	3.1
163.03902	29.9
163.11188	1.5
168.67032	1.2
171.04375	1.5
173.02322	14.0
173.11755	7.3
179.14279	1.8
183.04498	2.1
185.06079	1.1
189.03445	1.3
199.13272	1.6
204.29021	1.1
215.07079	12.9
241.08525	1.2
258.08838	4.1
259.09659	24.2
331.26337	3.0
333.15552	2.0
405.29831	3.0
468.81076	1.3
517.28418	1.8
517.36377	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	11.3
56.04989	1.9
56.96518	0.9
57.03405	0.8
59.04965	0.8
62.33966	0.6
65.03901	0.9
67.05518	3.8
69.03365	2.2
69.03716	0.7
69.07029	1.1
69.96285	2.9
70.06564	1.4
71.07333	0.8
71.07716	0.6
71.08632	4.0
72.08167	3.3
72.88068	0.6
79.05437	2.6
79.05839	0.6
80.36462	0.8
81.03368	1.1
81.07065	3.5
82.06518	0.7
83.04989	16.0
84.04465	0.7
84.08131	0.6
85.02910	3.1
86.06074	39.6
89.82597	0.6
91.05427	1.6
93.03366	1.3
93.06981	0.7
94.06514	0.9
95.04964	4.1
95.08569	1.6
96.08131	6.8
97.02848	0.7
97.06499	1.9
98.06042	0.5
98.09698	19.1
98.20879	1.0
99.08035	2.2
100.07632	0.8
101.06028	15.6
105.07008	1.0
107.08563	1.0
108.08083	1.8
109.10109	1.4
110.09653	0.6
111.04450	27.8
112.07580	0.7
114.09119	1.3
114.20842	0.7
116.10740	45.4
117.06924	0.8
119.04911	1.0
119.08517	2.8
121.02831	0.7
121.10126	1.3
122.09618	1.1
123.08005	1.1
124.07536	1.6
129.04628	0.8
129.05481	9.6
133.10036	0.7
134.09610	1.7
135.11642	0.8
136.11108	0.7
137.09546	1.3
139.03827	1.9
142.08641	14.6
142.12273	3.1
143.10696	8.0
147.04359	2.2
147.06479	2.2
148.11124	1.1
149.09515	0.9
152.10779	0.7
154.08612	0.8
155.07060	5.1
155.08163	1.2
160.09663	0.9
160.11017	0.6
162.12808	1.2
164.10753	6.6
173.09555	0.7
177.09177	0.7
180.13715	1.1
182.15410	5.4
190.12242	5.8
198.14874	2.3
208.13332	9.5
214.18051	8.5
224.81859	0.7
226.14389	36.9
233.15331	1.3
238.71130	0.6
244.15381	1.6
273.13260	0.9
285.09634	2.8
324.21750	3.2
362.23227	1.2
382.18591	1.5
400.19711	5.8
418.20743	100.0
498.26892	6.1
516.28131	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05273	1.2
55.05515	11.4
56.05001	0.9
56.96560	1.4
58.79910	0.8
59.04991	1.9
60.04523	1.7
65.03934	1.2
67.05487	3.3
69.03404	2.8
69.07072	1.6
70.06575	3.5
71.04971	1.7
71.08637	4.5
71.57042	1.8
72.08150	4.4
74.43252	0.8
79.05475	3.4
81.03401	2.1
81.07038	3.4
81.41778	0.8
83.04556	1.3
83.04987	17.5
84.08124	1.7
85.02891	3.6
85.06543	1.1
86.06068	32.5
86.09683	1.1
91.05469	2.6
92.91653	0.9
93.03403	1.4
93.07040	2.2
95.04965	3.9
95.08615	2.2
96.08133	5.7
97.02866	2.4
97.06522	3.5
98.06017	1.1
98.09099	1.3
98.09695	20.5
99.08038	2.1
100.07576	1.1
101.06021	14.6
105.07013	2.1
107.08556	1.1
108.08105	1.2
109.10136	2.4
111.03713	1.6
111.04453	29.1
116.10739	39.9
119.04959	1.3
119.08546	3.0
120.08096	1.3
121.02832	1.2
121.10120	1.5
124.07560	1.3
127.03937	1.5
129.05484	9.1
130.05005	1.6
134.09645	1.2
139.03865	2.6
142.08632	12.6
142.12270	2.2
143.10686	10.1
147.04381	5.0
147.06526	2.6
149.03719	1.0
153.05403	1.1
154.08650	1.1
155.07014	3.3
158.99570	0.9
164.10693	6.6
172.45010	0.9
173.08069	1.5
179.07332	1.1
180.13817	1.0
182.15417	5.9
184.75555	0.9
190.12288	5.0
198.14847	2.4
208.13307	9.3
214.18036	9.5
226.12152	1.9
226.14381	33.2
227.68011	0.9
233.15381	1.8
244.15338	4.9
285.09900	4.8
324.21649	4.0
370.27713	1.2
372.20074	1.8
382.18381	4.2
400.19638	12.1
418.20734	100.0
480.25690	1.3
498.26883	7.3
516.12640	1.8
516.27869	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
54.32029	2.2
54.51574	1.9
55.05514	16.8
56.91077	1.8
57.03423	5.6
57.07062	6.4
65.03934	3.1
67.05507	71.2
69.03428	7.9
69.07065	17.6
70.88116	4.2
70.88455	3.5
71.04996	5.1
75.04502	2.5
79.05496	52.2
81.03414	5.9
81.07056	100.0
83.04988	4.6
83.08603	13.3
84.00814	2.0
85.02905	6.9
85.06535	3.5
85.78509	1.9
91.04958	3.1
91.05480	28.6
93.07043	59.3
95.04967	8.5
95.08608	61.5
97.02896	3.1
97.06538	4.4
97.10177	4.8
99.08096	2.8
105.07031	34.1
107.04925	3.2
107.08588	41.0
109.06512	6.0
109.10172	27.7
111.04463	2.3
117.07008	10.5
119.08595	24.0
121.10148	31.6
123.04340	2.7
123.08116	3.5
123.11702	15.0
125.09677	2.1
127.03896	2.6
129.07002	7.1
131.08569	27.7
133.06459	1.8
133.10136	17.5
135.08043	3.6
135.11700	27.9
137.09578	2.2
137.13261	4.8
138.68448	1.8
141.06952	2.3
143.08560	5.7
145.10123	22.0
147.08119	2.3
147.11690	20.2
149.09592	2.6
149.13274	24.1
151.14897	3.1
155.08586	2.7
157.10135	4.3
159.11699	19.3
161.13257	8.5
163.11241	2.3
163.14822	12.7
165.12762	8.2
169.10074	5.1
171.11697	5.7
173.13301	16.6
177.12721	3.1
177.16425	3.6
181.10045	3.5
183.11728	2.5
185.13315	2.7
187.14746	6.1
195.13780	2.8
199.11246	2.3
199.14935	2.8
201.16393	3.2
221.13380	3.1
233.22844	2.9
243.21021	21.6
261.22174	69.8
303.22876	2.6
335.25919	9.5
345.24185	3.7
353.26834	15.7
358.78192	2.2
369.24112	5.0
387.25372	3.0
405.26538	5.2
412.14383	2.3
433.30655	3.2
443.27893	2.1
479.29828	2.8
483.34470	6.6
497.30560	3.3
497.36807	2.8
515.37653	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
53.04175	1.1
55.01868	2.0
55.05513	20.1
57.03438	9.2
57.07064	4.0
61.02930	6.4
65.03930	4.3
67.05508	88.5
69.03421	6.7
69.07071	17.4
70.50713	1.3
71.01339	2.0
71.04982	4.2
71.08613	1.2
71.57391	2.6
73.02917	3.6
75.04451	1.4
79.05495	55.6
81.03428	5.6
81.07059	100.0
83.04975	4.9
83.08620	9.9
85.02895	7.5
85.06528	2.8
90.67932	1.2
91.03959	2.4
91.05479	33.9
93.07047	70.5
95.04954	5.1
95.08607	79.7
97.02891	5.8
97.06548	6.7
97.07069	1.1
97.10202	6.0
99.04450	1.6
99.08094	3.4
103.03925	1.6
105.07034	26.2
107.04977	1.4
107.08598	44.6
109.02768	1.7
109.06516	5.5
109.10158	41.6
111.08061	4.3
113.09625	1.2
117.07027	14.2
119.08582	23.6
121.06493	1.5
121.10146	38.5
123.08060	4.0
123.11710	19.2
125.09620	3.3
127.03929	2.0
129.06996	3.8
131.08566	22.7
133.10136	18.9
135.08022	4.0
135.11693	31.9
137.09602	2.9
137.13232	7.3
139.11179	1.5
143.08546	3.0
145.10120	19.3
147.07993	1.3
147.11678	19.2
149.09601	2.3
149.13264	25.4
151.11113	1.8
151.14821	3.4
153.12740	1.6
154.64420	1.2
155.08478	1.3
157.10161	2.6
159.11700	19.8
161.13251	15.7
163.11211	1.9
163.14816	13.5
165.12723	3.2
169.10098	2.3
171.11658	2.5
173.11925	2.0
173.13272	18.5
175.11119	1.5
175.14766	4.9
177.12759	3.9
177.16391	4.7
179.14297	1.9
181.91190	1.2
183.11688	1.8
185.13252	1.9
187.14832	10.4
189.16412	1.3
191.14299	2.3
195.13773	2.0
199.14862	1.6
201.16364	4.6
205.15936	2.4
209.15323	1.9
215.17833	2.2
219.17361	2.0
233.22665	2.7
243.21114	27.6
259.20459	2.0
261.22141	84.9
263.23810	1.2
279.23135	5.1
301.21567	1.9
303.23236	3.5
317.24649	2.7
335.25800	27.5
341.24689	1.3
345.24222	2.9
353.26865	21.8
369.24063	3.9
387.25284	2.9
405.26270	1.3
419.27908	4.5
443.27936	3.5
461.28818	4.5
479.30078	3.2
497.31122	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
55.05515	27.1
57.03432	14.1
61.02926	7.3
61.74793	4.2
67.05175	5.7
67.05512	89.2
69.03430	20.6
69.07079	24.8
69.38037	16.0
69.38474	19.4
71.04992	8.2
71.07651	3.9
72.86378	4.6
73.02913	6.3
78.11279	4.4
79.05500	55.6
81.03407	10.0
81.07066	100.0
83.08611	13.3
85.02901	13.4
91.05481	46.8
93.07053	86.5
95.04955	13.2
95.08618	66.1
97.02857	5.0
97.06512	9.5
97.10150	8.2
105.07045	44.6
107.08588	44.5
109.06518	15.1
109.10173	34.6
113.00022	6.5
116.39933	4.3
117.07041	20.4
119.08598	38.7
121.06530	5.2
121.10151	39.4
123.08158	4.7
123.11694	19.3
127.03903	4.4
129.07024	6.4
131.08557	38.7
133.10191	22.8
135.08038	10.9
135.11716	32.8
135.31520	5.0
137.09610	5.3
143.08556	10.0
145.10155	29.2
147.11673	16.5
149.13263	27.6
157.10150	9.4
159.11713	21.9
161.13284	16.6
163.14845	16.2
171.11687	8.6
173.09657	5.0
173.13260	19.7
175.14928	4.8
177.12785	5.5
177.16393	10.3
183.11674	5.4
185.13226	7.3
187.14822	9.9
209.49597	4.2
213.16551	4.6
243.21193	26.1
261.22131	62.3
279.23291	4.7
301.21661	6.0
303.23251	5.3
335.25760	11.4
345.24142	6.6
353.26874	25.9
369.24207	13.7
377.26740	6.9
387.25134	10.8
400.63779	4.7
403.28568	6.7
405.26166	8.1
461.29248	9.8
497.30942	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
66.80295	0.3
67.05482	0.4
79.05461	0.3
81.07047	0.7
83.08617	0.3
93.07052	0.5
95.08601	0.5
97.10150	0.3
107.64691	0.3
109.10184	0.4
121.10146	0.3
135.11711	0.3
149.86148	0.3
150.65765	0.3
162.31485	0.3
227.31917	0.3
339.28897	0.3
372.50168	0.3
515.31921	100.0
516.32111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.0
57.03429	10.0
60.62560	3.4
61.02930	8.1
67.05511	85.4
69.03423	10.3
69.07072	23.7
70.12747	14.1
71.05002	9.2
78.56491	3.5
79.05502	46.2
81.03405	8.2
81.07064	100.0
83.08626	8.8
85.02903	10.2
88.67641	4.1
91.05489	29.3
93.07055	66.7
95.04987	9.7
95.08615	77.4
97.02847	6.9
97.06561	8.6
97.10177	7.4
105.07028	24.4
107.08595	33.7
109.06519	9.1
109.10167	39.2
113.00032	6.7
116.23073	3.6
117.07018	17.8
119.08578	26.6
121.06510	4.8
121.10174	33.4
123.08042	7.1
123.11742	14.0
129.06989	6.8
131.08586	26.2
133.10173	21.3
135.08020	4.3
135.11679	22.0
136.24236	3.8
137.13223	6.1
143.08566	9.9
145.10124	26.9
147.11734	9.9
149.09628	6.0
149.13269	24.9
159.11700	14.5
161.09619	6.6
161.13281	16.8
163.11172	6.3
163.14879	13.0
171.11716	5.3
173.13254	18.7
177.12735	4.4
177.16357	4.1
179.14320	6.3
185.13260	4.2
187.14854	8.5
201.16408	3.9
243.21133	16.3
261.22168	65.7
277.21625	4.2
301.21466	6.4
335.25711	25.1
345.24094	5.6
353.26779	26.9
369.24347	5.7
377.26617	4.5
405.26224	8.6
419.27817	6.6
443.27982	6.9
461.28683	5.0
479.30093	7.9
497.30933	14.9
500.75037	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	515.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06879	0.4
54.14550	0.4
56.05025	0.7
60.04521	1.5
61.35540	0.5
65.03930	1.0
67.05502	0.6
70.06602	0.9
70.11478	1.1
70.11874	0.9
79.05475	0.6
80.05022	0.8
81.07059	0.5
82.06581	0.7
84.08144	2.0
91.05482	12.3
91.83219	0.4
93.07040	0.8
94.06563	3.0
95.08608	1.3
96.08137	1.3
97.08913	4.6
98.06074	0.5
98.09698	1.0
98.20803	0.4
103.20591	0.4
108.08118	1.1
110.09695	5.3
111.10467	0.6
111.47627	0.4
119.04950	28.6
120.08150	0.6
122.09685	0.7
123.10481	0.5
124.11228	0.7
131.04921	0.9
134.09692	0.9
138.12816	0.5
147.04417	74.8
150.12753	0.5
152.14366	0.4
160.07555	0.5
164.14340	0.5
166.15973	0.5
176.14301	1.1
178.15935	2.0
188.07091	0.9
192.17468	1.1
208.20496	0.4
220.20792	0.6
222.22217	1.2
223.21666	1.0
224.20107	0.5
231.51012	0.4
235.21880	0.5
238.21661	1.1
247.21790	0.8
249.23235	0.4
250.21706	3.6
251.24927	0.9
256.20514	0.5
261.23288	11.8
262.21579	0.8
263.24954	0.6
273.23303	7.8
274.21533	0.7
279.24356	3.5
280.22519	0.6
291.24301	2.9
292.22729	0.8
309.25385	13.0
327.26398	0.6
333.25537	0.5
351.26483	1.3
369.27496	88.6
370.27832	0.9
497.30029	3.8
515.31183	100.0
516.31519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13494	0.4
55.05486	0.5
63.84106	0.5
67.05509	0.7
67.80696	0.5
71.57716	0.6
71.58089	0.6
75.07784	0.4
79.05488	1.0
81.07042	0.6
101.01814	0.5
107.08588	0.6
162.55272	0.5
179.31044	0.5
203.05339	0.7
254.90018	0.4
259.08130	0.5
431.32965	0.5
480.91687	0.5
496.50439	0.6
497.34818	0.6
515.31934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10862	0.8
51.70829	0.8
53.03944	1.8
55.01867	1.5
55.05512	4.3
57.03433	3.7
61.02922	1.9
64.86624	0.8
67.05509	7.2
69.03419	3.0
69.07058	2.3
69.34141	7.6
70.06573	1.1
71.04987	1.4
73.02905	1.3
79.05489	6.6
81.03420	80.0
81.07076	7.1
83.04971	2.9
83.08620	19.9
85.02912	3.2
86.09710	1.1
91.03947	1.3
91.05479	9.9
93.07056	5.7
95.04973	27.7
95.08616	2.0
97.02878	3.1
97.06524	1.8
97.10152	1.7
98.21559	1.6
105.07032	7.2
107.04967	5.4
107.08598	2.6
109.02923	0.9
109.06507	2.6
109.10123	1.0
111.04455	2.0
111.08096	9.5
116.94325	0.8
118.66148	0.8
119.04931	1.1
119.08598	6.3
121.06515	2.7
121.10152	3.9
123.04421	2.8
127.03909	1.1
129.07004	7.0
131.08575	5.7
133.06506	3.3
133.10135	3.8
137.06033	0.8
142.07776	1.8
145.10138	2.2
147.04439	2.0
147.08044	3.2
147.11710	7.6
149.09637	5.1
157.10138	10.2
163.06076	0.9
163.11179	1.9
165.12799	1.3
171.11636	1.2
175.11162	10.2
189.05589	0.9
193.12253	65.8
211.13303	6.1
235.13234	5.4
259.13150	1.0
267.15927	34.8
273.14816	1.5
277.14227	1.6
285.16971	100.0
286.17331	1.6
295.15344	1.2
299.18527	2.3
301.14355	5.5
309.16983	8.5
319.15469	4.3
322.20306	1.0
327.18076	1.5
337.16669	5.8
351.18088	1.8
355.17432	3.5
363.18036	2.7
375.18063	1.9
393.19052	1.5
429.21362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.34587	1.2
55.01878	2.0
55.05518	6.5
57.03431	5.3
60.62816	1.1
61.02922	1.9
65.41105	1.1
67.05511	7.6
69.03445	3.0
69.07071	1.6
69.76871	6.1
78.67052	1.2
79.05491	8.4
81.03421	93.4
81.07066	7.4
83.04971	4.4
83.08621	21.7
85.02887	2.5
91.05479	10.5
93.07052	4.4
95.04974	25.9
95.08600	2.3
97.02851	1.6
97.10143	1.9
105.07024	9.1
107.04967	7.3
107.08596	3.6
109.06505	2.0
111.04441	2.1
111.08085	9.8
115.05509	2.2
117.07036	1.5
119.08603	8.8
121.06465	2.0
121.10165	8.0
123.04409	2.2
125.09602	1.4
129.07011	6.5
131.08563	7.4
133.06500	2.1
133.10120	3.4
142.07727	2.0
147.08105	2.4
147.11681	6.0
149.09682	6.8
157.10117	10.4
165.12724	2.4
174.00984	1.5
175.11183	12.3
193.12251	74.7
211.11493	1.3
211.13216	7.1
235.13330	2.6
267.15921	48.7
285.16965	100.0
300.72736	1.3
309.16980	9.8
351.18164	1.6
363.18118	3.5
374.72772	1.4
375.17917	2.0
378.36591	1.2
393.19122	2.3
429.21060	5.2
461.23608	1.9
520.98035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01872	4.9
55.05504	2.7
56.05027	3.9
57.03434	3.2
58.06593	2.7
60.04519	7.4
61.02916	2.2
65.03952	3.8
67.05509	9.1
68.05029	9.6
69.03426	8.4
69.49497	6.2
69.49924	7.6
69.80337	1.7
70.02953	12.0
70.06593	23.5
71.04992	25.3
72.04503	5.1
72.08156	7.4
73.02888	3.9
79.05492	15.1
80.05028	5.4
81.03422	6.8
81.07055	8.0
82.02926	2.0
82.06573	3.6
83.04974	2.8
84.04503	4.9
84.08134	4.1
85.02900	9.9
86.06078	9.0
86.09695	3.0
87.04463	3.7
91.05480	15.7
93.07030	11.6
94.06570	3.9
95.01344	2.2
95.04964	7.1
95.08562	2.1
96.04499	8.0
97.02895	4.6
97.06535	7.0
98.06055	3.0
98.20722	2.0
98.39937	1.9
98.97582	3.9
100.03982	2.7
105.07037	12.8
106.06516	2.0
107.04936	2.9
107.08604	7.0
108.08089	2.0
109.06497	2.4
110.06045	5.5
110.07194	2.4
110.97511	2.0
113.02387	2.3
114.05527	24.0
116.07132	2.3
117.07026	6.6
119.08587	7.8
120.08094	2.4
121.06503	3.0
121.10152	6.1
122.06048	1.8
124.50452	1.8
126.01724	2.5
126.05515	2.6
128.03448	8.0
128.06253	2.8
129.06972	8.7
129.10266	4.0
131.08569	13.2
132.06577	4.5
133.10144	2.9
135.08093	6.0
136.06099	2.1
136.07568	4.7
137.06006	2.2
137.09647	2.9
138.05556	4.1
141.07074	1.9
143.08551	5.3
145.10115	6.3
147.04459	3.6
147.08003	2.6
147.11685	11.6
149.09618	4.1
155.08449	2.5
157.10150	6.1
159.11734	4.1
160.07613	2.8
161.09666	3.0
162.18762	1.8
163.11160	8.8
167.08604	3.0
171.08034	2.3
171.11684	7.4
172.06094	2.1
178.08658	2.7
180.09343	2.4
180.94171	2.0
181.10126	2.7
184.06007	2.1
185.09311	3.8
185.13210	2.8
187.11073	2.6
188.05544	2.4
193.12404	2.3
196.09740	4.0
198.04019	2.8
200.05568	11.1
216.04913	2.5
226.07063	2.7
242.06602	6.6
251.14262	2.4
260.07654	14.9
268.17010	2.9
270.06110	2.9
285.17105	4.7
286.17883	3.0
288.07236	5.1
358.11783	1.9
358.16415	4.0
372.18250	4.9
390.15097	4.6
394.18622	6.2
400.17007	2.4
406.18674	2.5
408.16635	7.0
414.18784	2.2
417.55771	2.0
424.17523	4.0
426.17554	4.1
432.20285	2.6
442.18607	16.1
460.19714	38.9
478.20779	45.4
496.21796	100.0
514.15399	6.7
514.22833	26.2
514.30292	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29935	2.4
53.03944	10.0
55.01873	10.4
55.05515	27.0
57.03438	38.8
61.02932	20.9
65.03928	4.4
67.05508	73.8
69.03436	30.1
69.07066	28.4
69.28604	22.0
70.89339	2.5
71.01341	6.7
71.04994	24.5
73.02918	12.0
78.04628	2.8
79.05495	70.6
81.03419	29.4
81.07060	87.7
83.04975	13.2
83.08610	11.7
83.51895	2.5
85.02908	37.8
85.06553	8.0
91.03954	9.3
91.05482	60.2
92.89404	3.0
93.07047	91.8
95.04987	15.0
95.08613	70.8
95.09203	2.2
97.02899	31.6
97.06525	11.3
97.10184	4.6
98.97638	3.2
99.04436	3.4
99.08080	8.5
101.02367	8.3
103.03963	4.7
103.05439	3.0
105.07031	58.2
107.08602	53.5
109.02869	13.3
109.06553	6.8
109.10157	30.4
111.04443	5.1
111.08105	5.9
113.09636	3.0
115.03925	3.6
116.06214	2.6
117.07021	17.5
119.08583	46.5
121.06525	3.6
121.10152	52.1
123.08075	7.9
123.11720	6.8
127.03938	15.5
127.07487	2.9
129.05476	9.7
129.06996	10.2
130.21312	2.5
131.08563	28.9
133.10143	43.5
135.11713	38.3
137.09624	5.1
139.11200	4.4
143.08600	10.3
145.10121	26.2
147.11697	36.7
149.09666	4.4
149.13248	22.0
151.11230	6.1
153.01839	56.0
155.08565	3.1
155.10791	2.9
157.10130	10.6
159.11702	25.5
159.19568	2.4
161.13264	20.4
163.11249	4.3
163.14824	7.8
165.12793	3.3
171.11696	11.4
173.13297	18.3
175.11272	2.9
175.14810	8.3
177.12709	6.4
183.06487	4.3
183.11610	3.1
185.13297	11.4
187.14793	13.8
189.16296	3.1
191.14313	3.4
195.13759	3.2
197.13322	3.9
199.14816	8.6
201.16434	4.0
203.14278	2.7
205.15869	7.7
213.16415	4.5
231.21124	6.1
241.19469	16.8
259.20575	47.4
277.21640	46.1
293.21292	5.7
301.21609	3.0
333.24255	11.1
351.25327	100.0
355.15604	3.3
385.23877	4.1
393.26657	3.0
421.25790	4.9
459.27621	3.1
473.29907	2.9
477.28287	4.4
495.29474	4.9
513.19995	3.1
513.30164	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01863	3.9
55.05510	17.5
57.03442	10.4
57.07067	4.2
59.55656	2.3
61.02939	13.4
66.48564	2.5
67.05178	4.1
67.05515	45.3
69.03419	8.2
69.07060	16.3
70.12507	2.6
70.74033	7.1
71.04992	5.8
72.83275	2.7
73.02907	6.3
79.05502	51.2
81.03419	7.9
81.07068	46.8
83.04961	4.3
83.08610	8.1
85.02913	21.1
85.06527	2.8
91.03944	4.8
91.05489	60.6
93.07051	67.3
94.60629	2.6
95.04969	4.7
95.08624	32.7
97.02882	14.3
97.06498	4.3
97.10165	3.0
98.32066	2.3
98.52811	2.4
99.08057	2.8
105.06391	4.4
105.07043	62.0
107.08602	40.5
109.02842	2.8
109.06504	3.4
109.10177	13.1
111.04475	4.4
117.07014	22.6
119.08588	58.4
121.06509	3.9
121.10143	33.7
123.08047	2.3
123.11713	3.5
123.84692	2.3
127.03886	6.6
129.07010	17.0
131.08568	38.3
133.06470	2.7
133.10138	46.5
135.11711	33.5
139.87849	2.3
141.06982	3.5
143.08560	17.6
145.10144	40.7
147.08055	3.7
147.11707	42.1
149.09709	3.8
149.13281	19.9
152.81520	2.4
152.82689	2.8
153.01878	2.9
155.08589	6.9
156.09415	3.0
157.10155	18.6
159.11703	34.3
161.13287	31.1
163.14835	8.5
169.10182	6.1
171.11670	20.4
173.09517	3.0
173.13245	18.1
175.11150	3.6
175.14838	17.2
181.10147	6.2
183.11690	3.7
185.13280	19.4
187.11223	3.9
187.14806	7.2
189.12770	3.4
195.11836	3.0
197.13235	5.2
199.14783	9.3
201.12642	3.3
203.14320	3.0
217.19702	3.9
231.21057	7.4
239.17995	3.9
241.19547	25.6
253.19463	3.5
253.83366	2.9
257.18961	7.4
259.20596	84.3
271.20425	3.5
273.22183	2.7
275.20105	7.7
277.21686	6.1
289.21713	4.4
301.21594	10.1
313.21655	5.4
319.22623	2.9
325.21649	3.1
339.23032	4.8
349.21506	2.8
349.23843	2.6
351.25314	100.0
357.24127	3.1
363.25211	3.5
367.22751	18.5
375.25302	4.9
385.23764	24.5
403.24841	27.9
421.25864	31.8
422.12857	3.2
431.73190	3.1
441.26001	6.1
453.10367	2.5
459.27454	5.4
495.29572	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.76957	2.1
53.03935	2.7
55.01874	2.4
55.05511	6.9
57.03436	4.7
58.48532	1.9
61.02926	9.5
65.51443	1.9
67.05501	21.2
69.03416	5.8
69.07075	6.8
70.08455	9.4
71.04990	2.1
73.02929	3.1
79.05502	28.2
81.03416	2.5
81.07074	19.9
83.08594	3.6
85.02911	6.9
86.72115	1.8
91.03960	5.7
91.05482	26.0
93.07049	43.1
95.04929	2.6
95.08614	17.6
97.02886	6.4
99.08121	2.1
100.92178	1.8
105.07042	25.5
107.08605	22.3
109.10131	8.0
117.07015	5.8
118.78856	1.8
119.08601	26.8
121.10172	17.7
125.45422	1.7
128.06166	2.2
129.07005	4.2
131.08569	14.2
133.06430	2.0
133.10139	24.1
135.11688	19.7
135.33084	2.1
143.08556	4.4
145.10132	12.3
147.08104	1.9
147.11707	20.3
149.13246	13.2
157.10098	7.6
159.11670	12.0
161.13255	18.7
163.11212	2.0
163.14819	2.9
169.10196	2.3
171.11685	8.3
173.13268	9.5
175.14812	9.5
185.13269	6.4
191.14490	2.7
199.14803	3.9
213.16362	2.9
217.19574	2.8
231.21022	4.6
241.19620	18.7
259.20590	45.7
277.21637	8.5
293.80615	1.9
333.24219	5.5
349.23602	5.3
351.25302	100.0
363.25186	2.3
367.22723	3.5
431.53183	2.2
441.26199	4.1
459.27216	4.3
477.28265	2.9
495.29340	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66875	1.8
55.05508	6.5
55.29545	1.6
57.03427	5.4
61.02937	10.0
67.03030	1.6
67.05228	1.7
67.05512	18.4
69.03422	5.0
69.07082	9.7
70.94535	1.9
70.94849	4.0
71.05006	2.3
79.05501	25.5
81.03376	2.6
81.07066	19.9
83.08620	3.2
85.02885	9.2
87.90868	1.5
91.03957	4.5
91.05490	23.1
93.07048	34.7
94.30097	1.6
95.04949	3.2
95.08626	14.8
97.02894	6.1
97.06510	2.4
97.10192	2.4
105.06393	2.5
105.07042	28.4
107.08607	27.1
109.10146	7.5
111.88508	1.7
117.07014	6.4
119.08585	24.3
121.10147	18.2
123.11703	2.0
127.03842	2.1
129.06982	2.4
131.08572	11.5
133.10139	20.2
135.11700	20.6
143.08551	5.3
145.10107	10.3
147.11699	18.6
149.13283	12.1
157.10182	4.0
159.11760	11.8
161.13263	17.5
163.14789	3.8
171.11671	6.4
172.96201	1.8
173.13290	5.3
175.14856	4.6
185.13258	7.0
186.15939	2.1
199.14847	3.9
213.12836	2.0
217.19266	2.0
228.59532	2.0
231.17453	2.6
231.21008	2.5
241.19583	15.9
259.20633	37.7
277.21625	4.8
301.21561	2.1
333.24246	7.3
349.23572	3.6
351.25330	100.0
354.80551	2.2
365.52585	2.0
417.25876	2.5
421.26135	2.4
425.48822	2.0
441.26532	4.4
459.27670	4.8
495.29532	4.8
520.98022	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01865	2.7
55.05504	7.7
57.03426	5.2
57.07066	1.8
61.02926	15.1
61.56594	1.6
67.05508	25.0
69.03431	7.3
69.07077	7.7
69.67152	9.2
71.05001	2.7
73.02923	6.9
75.04490	1.7
79.05498	27.6
81.03402	5.5
81.07063	27.7
82.36365	1.4
83.04982	1.9
83.08618	6.5
85.02916	9.9
85.06539	2.4
91.03981	7.4
91.05483	29.1
93.07050	38.4
94.39568	1.3
95.04967	3.8
95.08621	16.5
97.02873	10.3
97.06547	4.1
97.10154	3.0
97.69601	1.4
99.08096	1.6
105.07034	33.3
107.04960	3.0
107.08603	22.7
109.06510	2.5
109.10147	5.8
111.08097	1.6
117.07000	9.6
119.08589	27.7
120.09849	1.4
121.09421	2.0
121.10162	18.5
121.93493	1.5
123.08094	2.4
123.11724	3.1
127.03924	3.1
129.06999	9.3
131.08589	16.4
133.06432	1.9
133.10141	30.6
135.08080	1.8
135.11699	17.8
137.09604	1.8
141.06946	1.6
143.08585	9.1
145.10133	18.8
147.07961	1.6
147.11696	21.7
149.13274	12.1
155.08566	1.9
157.06590	1.7
157.10124	6.7
159.11719	13.5
161.09578	1.9
161.13263	22.7
163.11220	1.8
163.14812	5.5
169.10231	2.3
171.11699	10.8
173.09598	1.7
173.13251	9.7
175.11221	1.5
175.14774	9.5
177.12775	1.8
185.13287	10.3
187.14798	3.7
189.12695	3.4
195.11705	2.4
197.13208	1.7
199.14821	5.8
203.14363	1.8
217.19481	2.2
231.21051	4.8
232.64316	1.4
241.19537	20.9
259.20590	53.3
269.19250	2.2
271.20615	2.1
277.21680	3.4
283.20593	2.5
301.21631	1.8
333.24225	2.3
349.23654	5.4
351.25311	100.0
363.25299	3.1
367.22638	2.7
375.25540	1.7
385.23486	2.3
417.26178	2.8
441.26114	7.6
459.27536	5.1
477.28503	6.9
495.29431	6.7
513.30646	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.05513	7.8
57.03435	4.4
61.02921	12.6
67.05512	17.6
69.03432	3.7
69.07063	6.1
69.70062	1.4
71.01204	3.3
71.04990	2.1
73.02924	3.3
75.04452	1.6
79.05494	25.2
81.03416	3.2
81.07054	22.0
83.04993	1.9
83.08601	3.7
85.02925	8.7
85.06538	2.3
91.03959	6.6
91.05487	22.6
93.07050	38.0
95.04977	2.2
95.08617	14.4
97.02890	6.8
99.08063	2.4
105.07038	23.7
107.08578	19.6
109.06498	1.8
109.10153	8.3
117.07022	5.8
119.08590	21.9
121.10149	16.1
123.11684	2.7
129.07002	4.9
131.08578	10.9
133.10136	19.2
135.11688	15.9
143.08533	4.9
145.10135	11.6
145.73183	1.6
147.11699	22.2
148.50949	1.8
149.13297	11.2
157.10130	6.0
159.11653	7.6
161.13257	20.5
163.11232	2.1
163.14868	3.7
169.10135	2.9
171.11710	8.0
173.13260	7.5
175.11237	2.6
175.14809	9.6
177.12798	2.4
185.13266	7.3
189.12749	2.1
199.14854	5.0
213.16505	2.4
217.19461	2.6
231.21106	4.1
241.19505	19.6
259.20605	42.5
271.20657	1.6
277.21661	7.0
301.21466	2.8
333.24261	6.0
345.73981	1.5
349.23743	4.7
351.25308	100.0
363.25137	1.7
367.22668	2.0
375.25464	2.8
385.23657	2.7
403.24850	1.9
441.26273	4.6
459.27094	4.0
495.29327	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	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	2.1
55.05515	10.2
57.03434	4.4
57.07061	2.1
61.02928	10.0
67.05240	1.9
67.05510	21.3
69.03421	3.8
69.07089	8.3
71.01235	3.8
71.04999	1.7
73.02899	4.8
75.04504	1.8
79.05066	2.2
79.05500	32.0
81.03407	3.9
81.06647	2.1
81.07061	25.0
83.04978	2.0
83.08611	4.7
85.02896	7.5
91.03968	3.6
91.05486	21.6
93.07043	43.5
95.04960	3.7
95.08614	18.5
97.02888	6.6
97.06544	3.5
97.10166	1.9
99.04445	2.5
105.07029	27.7
107.08599	23.3
109.06439	2.3
109.10149	5.1
117.07059	8.7
117.07757	1.8
119.08584	26.4
121.10168	21.1
123.08084	2.0
123.11670	2.9
127.03935	1.9
128.20729	1.7
129.07002	6.1
131.08556	13.3
133.10127	23.3
135.11671	15.6
143.08560	5.7
145.10118	13.9
147.11679	20.9
149.09583	3.6
149.13269	11.0
152.31453	1.6
157.10159	5.0
158.46289	1.5
159.11673	10.0
161.09583	1.9
161.13263	14.9
163.14787	4.7
171.11731	9.2
173.13263	5.8
175.14813	10.9
175.64279	1.7
185.13268	5.7
187.14886	2.0
199.14775	3.7
203.14409	1.9
211.10992	1.6
217.19429	2.4
231.21126	3.7
241.19513	17.0
259.20596	45.9
275.20041	1.9
276.20395	2.4
277.21872	7.8
277.24274	1.9
301.21768	2.4
333.24155	4.4
349.23965	2.0
351.25314	100.0
363.25302	2.3
367.22668	2.2
375.25238	3.4
403.24673	2.0
441.26331	4.4
454.93121	2.0
459.27286	6.0
477.27859	3.8
495.29556	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.05048	0.7
56.96556	1.5
60.04520	2.7
65.03931	0.7
67.05489	2.0
69.03416	1.1
69.07057	1.1
69.42876	3.8
70.06602	2.8
71.04988	0.8
72.08144	1.0
73.02895	1.0
74.06056	0.5
79.05500	2.4
80.05005	1.7
81.03419	1.0
81.07048	2.2
82.06564	1.2
84.04498	1.8
84.08138	3.2
85.02898	2.0
86.09698	1.4
91.05490	12.1
93.07038	2.3
94.06561	3.1
95.04976	0.8
95.08585	1.2
96.08124	1.2
97.02892	1.2
97.06515	0.8
97.08917	2.8
98.09709	1.0
98.97548	0.7
103.05332	0.6
105.07031	1.6
106.06554	0.9
107.08582	0.9
108.08112	0.9
109.02888	0.7
109.48760	0.5
110.09686	7.0
119.04950	27.9
119.08588	2.0
120.08102	2.5
121.06507	1.2
121.10098	0.7
122.09669	1.5
124.11238	1.8
127.03943	0.7
129.07024	0.6
131.04948	0.8
131.08557	1.1
132.08104	0.7
133.10139	1.8
134.09679	1.3
136.11226	1.9
138.12798	1.4
140.56639	0.5
143.08635	0.6
145.10100	0.6
147.04419	78.6
147.11676	0.7
148.11224	0.9
150.12775	2.1
157.10089	0.8
159.11720	0.9
161.09430	0.5
162.12769	0.8
164.14334	4.4
173.13162	0.6
174.12758	3.5
175.14841	1.0
176.14310	1.3
178.15921	1.9
187.11188	1.2
188.14279	0.9
190.15904	1.0
201.12697	1.0
204.17508	0.7
205.12256	0.8
218.19090	1.1
219.01855	0.5
220.20741	0.9
229.12299	1.6
235.06439	0.6
237.07912	0.8
242.19133	0.6
247.13374	2.9
248.20158	1.9
251.21249	0.6
255.09164	0.9
259.21671	5.5
263.05756	0.6
271.21741	3.2
272.20032	0.7
277.22763	1.9
289.22720	3.9
290.21127	0.7
307.23810	8.1
328.24927	1.0
337.24716	0.5
346.25952	2.5
349.24893	2.9
359.23212	0.7
362.25360	0.7
367.25940	62.1
368.26431	0.8
394.22339	1.1
460.39639	0.6
495.11392	0.6
495.28607	3.9
513.13788	3.2
513.29626	100.0
514.30005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.9
57.03413	0.4
57.07081	16.3
57.07342	0.6
58.06571	1.6
67.05511	2.1
67.71568	0.3
69.07076	2.9
70.06597	14.0
71.08641	8.8
71.10258	0.3
71.10583	0.7
73.02929	1.7
75.55213	0.3
81.07066	2.6
83.08639	1.8
85.10191	4.3
88.07636	19.9
89.06046	1.7
92.72229	0.4
95.08615	2.7
97.10146	0.9
102.09186	13.8
106.08645	0.8
109.10128	1.1
111.11687	0.5
133.08604	0.6
169.29559	0.3
177.11214	0.5
212.23727	0.5
215.79376	0.3
228.23219	4.7
246.24205	0.5
256.26367	48.0
274.27414	4.0
283.26343	48.7
311.29419	4.5
327.20261	1.0
348.70007	0.5
430.10718	0.4
512.50421	100.0
513.50653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
61.02939	0.1
65.03941	0.1
69.03430	0.4
71.55762	0.2
71.56124	0.1
73.02900	0.1
81.03431	0.1
82.99870	0.2
85.02889	0.6
92.05013	0.8
93.05785	0.3
94.06573	2.7
96.04495	0.4
97.02873	0.4
98.97598	0.4
101.00883	1.0
103.00661	0.2
103.02475	0.2
108.55919	0.1
109.02913	0.2
110.06055	1.8
110.97576	0.1
111.52892	0.1
113.00883	0.5
115.02462	0.2
116.98596	0.2
117.25354	0.1
119.01928	1.5
121.01660	0.2
122.01466	0.1
127.02410	0.6
127.03904	0.4
128.00238	0.3
128.98615	0.1
129.04016	0.1
131.00188	0.1
131.01924	0.7
132.61000	0.1
133.03505	0.4
135.05046	0.1
137.01970	0.2
138.05511	100.0
139.02463	0.1
139.05807	0.2
143.01918	2.1
144.01920	0.3
145.01694	0.2
145.03499	1.4
145.04582	0.1
145.05032	0.1
147.01421	0.2
147.03296	0.2
153.04028	0.1
155.01874	1.5
157.03511	0.5
159.03241	0.2
159.05026	0.2
161.02983	2.1
163.02788	0.1
167.01920	0.8
169.01817	0.1
169.03514	0.5
170.99767	0.2
171.01378	0.5
171.05022	0.2
173.02962	1.7
175.02824	0.2
175.04590	0.4
179.01947	0.4
181.03520	0.2
182.99640	0.1
183.05031	0.1
185.02997	2.9
185.06673	0.3
186.03096	0.3
187.02771	0.3
187.04559	0.8
189.02338	0.8
189.05743	0.2
196.04575	0.1
197.03015	1.1
198.03267	0.1
199.02740	0.2
199.04472	0.2
201.00732	0.3
201.02481	0.3
203.04099	1.0
205.03780	0.2
207.03009	0.6
207.06548	0.1
213.02403	0.3
213.06102	0.1
215.03976	0.7
217.00276	0.2
219.01738	0.3
221.05042	0.2
227.04028	0.8
230.05121	0.2
231.03493	2.8
231.07161	0.8
237.02809	0.2
243.03560	0.4
243.07153	0.2
245.05087	7.3
246.05359	0.5
247.04840	0.8
248.04639	0.2
249.04567	0.3
254.05690	0.2
255.03528	0.2
257.05127	0.4
260.08237	0.2
261.04855	0.6
263.06122	0.6
265.05676	0.1
273.08228	0.3
275.06116	1.2
279.03912	0.1
284.06418	0.2
291.05557	0.6
293.07181	0.2
305.07205	0.9
315.05432	0.2
321.06976	0.2
321.10422	0.4
333.06372	1.1
333.10278	0.3
335.08356	0.4
351.07751	0.6
365.09338	1.2
513.12671	1.9
513.24121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13758	1.5
53.03937	6.2
55.01861	4.3
55.05519	22.0
57.03174	2.9
57.03439	23.4
57.07069	3.0
61.02925	3.3
65.03931	7.5
67.05508	96.3
69.03430	13.1
69.06782	1.9
69.07077	20.4
69.75314	11.1
71.01365	25.8
71.04993	4.5
73.02557	2.7
73.02922	29.8
75.04475	3.0
75.59940	1.8
77.03955	1.7
79.05500	58.5
81.03429	2.4
81.07063	100.0
83.01339	3.2
83.04989	3.8
83.08624	9.9
85.02909	52.5
85.06530	2.3
86.09708	2.2
91.04971	2.9
91.05489	43.1
93.07049	72.4
95.01329	7.8
95.04947	5.9
95.08614	77.4
95.29193	1.9
97.02893	18.5
97.06520	5.2
97.10149	5.8
99.00807	5.7
99.04427	6.5
99.08076	2.3
101.02389	6.5
103.03933	7.0
105.07032	34.9
107.08599	36.1
109.06563	2.7
109.09454	3.1
109.10157	39.3
111.04410	2.8
111.08058	2.4
113.02386	25.8
113.09628	1.9
117.07013	12.8
119.08594	25.0
121.10151	39.6
123.00780	2.5
123.08070	1.8
123.11716	17.1
125.09641	2.5
129.07001	3.0
131.03394	12.0
131.08591	26.3
133.10147	18.6
135.11696	28.2
137.09616	2.4
137.13240	7.0
141.01830	22.1
145.04935	3.0
145.10152	14.9
147.11699	14.8
149.09572	1.8
149.13237	16.0
153.12697	1.9
159.02898	9.5
159.06502	4.7
159.11667	15.8
161.13281	14.5
163.14781	6.2
165.12737	2.7
169.04971	5.8
171.11699	2.7
173.13248	11.0
175.14951	4.1
177.16426	2.1
179.14214	3.8
185.13293	2.4
187.14803	8.8
191.14328	2.1
197.04443	3.3
201.16415	3.4
215.05495	8.2
216.09125	2.8
217.93785	2.0
224.82896	2.1
241.19536	3.4
243.21088	12.5
259.20581	3.8
261.22137	45.8
279.23230	3.4
303.23206	7.7
317.24667	3.4
335.25806	55.9
347.25677	2.7
363.25027	2.4
377.26788	2.6
457.25888	2.7
475.27014	4.4
493.27609	5.1
511.29041	31.7
514.56738	2.2
520.30298	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.3
55.01859	12.6
55.05260	3.3
55.05512	41.9
56.99273	2.5
57.03440	28.3
61.02928	21.7
61.65167	3.4
65.03947	3.5
67.05181	4.4
67.05511	69.2
69.03434	41.7
69.06734	3.1
69.07073	48.5
69.39710	14.8
69.40129	6.6
71.01362	3.7
71.04977	12.5
73.02911	13.5
79.05059	4.9
79.05497	70.7
81.02986	3.8
81.03423	56.5
81.07064	73.2
83.04974	19.1
83.08627	25.7
85.02913	37.5
85.06560	4.2
87.04491	3.1
91.03946	9.3
91.05486	63.4
93.07044	62.6
95.04951	10.8
95.08612	42.6
97.02370	3.5
97.02905	42.2
97.06548	17.3
97.10169	23.2
98.21457	5.4
99.04486	13.0
99.08105	3.1
101.02390	8.3
103.03948	7.7
105.06297	3.2
105.07027	58.4
107.04959	16.2
107.08602	71.6
109.02869	18.8
109.06495	9.4
109.10146	31.4
111.04411	3.5
111.08080	9.4
113.02390	2.8
113.09621	3.2
113.58151	2.9
115.05457	3.3
117.07009	21.6
119.08582	49.5
121.06480	9.0
121.10123	22.9
123.08054	7.1
123.11697	7.9
125.09629	24.5
127.03898	20.4
129.05466	5.1
129.06992	12.1
130.07753	3.7
131.08574	34.2
133.06493	3.4
133.10149	39.1
135.08115	13.1
135.11687	13.5
137.09680	6.5
139.11102	3.4
141.06956	6.5
143.08566	10.1
145.04935	4.0
145.10126	36.2
146.84290	2.6
147.08038	3.2
147.11700	31.1
149.09610	22.4
149.13237	7.6
151.11211	4.1
155.08649	6.7
155.10738	3.4
157.10136	10.3
159.07977	3.9
159.11688	26.1
161.09564	6.7
161.13255	10.5
163.11160	12.1
165.12726	4.9
167.08598	3.3
167.84489	2.5
169.10141	11.5
171.10219	6.1
171.11667	8.7
173.04491	8.5
173.09496	5.7
173.11853	5.0
173.13258	11.6
175.11209	6.7
177.12767	5.0
179.14244	6.2
183.11691	7.1
185.13194	5.4
187.11110	6.7
189.11211	22.6
215.10631	3.1
225.09302	2.9
227.12755	12.1
229.14407	7.1
229.19525	7.6
239.17958	10.6
245.13901	3.4
247.20500	10.0
257.18967	26.0
269.17398	3.4
275.20068	100.0
293.21100	8.4
294.38138	3.0
299.19931	3.9
331.22580	6.1
349.23740	93.3
367.24677	6.0
377.23218	5.0
383.22079	3.6
391.24762	8.9
413.21689	7.1
419.24307	3.3
439.24707	3.3
447.27887	3.4
457.25894	4.5
475.26474	4.8
493.27887	11.5
510.99219	3.0
511.29129	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01872	9.3
55.05262	2.4
55.05508	24.4
56.96552	3.1
57.03440	10.3
59.04998	2.3
61.02929	39.1
65.03925	2.3
67.05183	2.2
67.05509	37.8
69.03430	24.6
69.07073	17.1
69.79350	6.9
71.01340	2.7
71.04967	4.3
73.02926	15.1
79.05494	57.5
81.03418	19.4
81.07056	36.2
83.04990	19.1
83.08612	8.3
85.02428	2.8
85.02905	32.1
85.06524	1.7
87.04463	1.7
91.03958	16.5
91.04912	1.9
91.05480	38.5
93.07045	35.4
95.04975	5.4
95.08600	19.2
97.02898	23.6
97.06545	8.2
97.10156	6.3
99.04441	6.5
101.02356	5.9
103.03922	1.9
103.05485	1.8
105.07036	47.9
107.04974	15.3
107.08599	34.8
109.02892	8.7
109.06498	4.8
109.10161	13.3
111.04453	3.0
111.08076	2.5
115.03922	2.2
117.07044	13.6
119.08588	40.0
121.06509	3.3
121.10161	14.6
121.29421	1.3
123.08073	2.2
123.11678	2.8
125.09608	5.7
126.83697	1.4
127.03912	12.0
129.05423	2.3
129.06989	4.2
131.08568	17.7
133.06548	1.9
133.10132	33.5
135.08025	6.2
135.11682	8.4
136.94025	1.5
137.09599	2.9
143.08549	2.5
145.04967	2.3
145.06490	2.3
145.10129	17.9
147.07936	1.6
147.11690	19.9
149.09624	27.9
149.13280	2.4
151.11119	2.1
153.01923	1.5
153.09113	2.8
157.10153	4.9
159.11703	12.6
161.13226	5.9
162.02679	1.6
163.11185	4.5
163.14804	3.7
169.10088	2.8
169.12221	4.8
171.11592	2.5
173.11841	2.6
173.13275	5.2
177.12721	3.1
179.14297	5.7
183.06532	4.6
183.11769	3.5
187.11220	3.0
187.13284	1.6
189.11127	4.9
189.12686	2.3
191.14299	3.1
197.13168	2.3
209.15334	7.9
227.12782	2.4
229.14102	1.8
229.19513	5.5
233.15289	2.0
239.17955	3.4
247.20570	2.5
253.94960	1.5
257.18970	12.1
267.15628	1.9
275.20065	100.0
287.05521	2.1
293.20880	2.1
305.10968	2.8
305.60748	1.8
349.17056	2.5
349.23737	61.0
377.23126	4.3
391.24713	3.4
399.23779	2.0
457.25888	3.9
493.27802	7.1
511.21100	2.0
511.28772	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.4
53.03941	6.2
55.01875	15.8
55.05515	11.7
57.03448	9.4
59.04987	1.5
61.02639	2.4
61.02928	29.4
61.62988	1.4
65.03931	1.8
65.76099	1.3
67.05183	1.0
67.05507	29.6
69.03442	16.3
69.07069	24.9
70.41505	1.2
70.61548	3.8
70.61924	2.5
71.01353	2.7
71.04974	4.6
73.02908	13.5
79.05497	23.9
81.03423	19.0
81.07065	37.0
82.03062	1.1
83.04990	8.4
83.08627	7.4
85.02913	24.3
85.06522	2.3
87.04465	1.6
91.03972	13.0
91.05488	39.9
93.07052	27.0
94.08150	1.2
95.01334	8.1
95.04963	7.7
95.08611	26.4
97.02896	21.0
97.06542	20.0
97.10140	2.7
98.97575	2.2
99.04456	5.9
101.02392	5.3
103.03935	2.0
105.07039	67.3
107.04954	15.9
107.08579	13.7
109.02886	7.1
109.06539	2.9
109.10182	6.9
111.04430	2.5
111.05565	1.4
115.04026	1.8
117.07033	11.8
119.08588	31.4
121.06501	3.5
121.10167	7.1
123.04424	2.6
123.08056	4.2
127.03911	10.1
129.07016	2.9
131.08575	20.9
133.10135	39.2
135.08069	4.0
135.11720	8.2
137.09584	2.4
141.07008	2.7
143.00224	1.6
143.08572	2.0
145.04950	2.8
145.10118	15.4
147.08009	2.3
147.11673	14.2
149.09607	5.8
149.13297	4.0
155.08530	1.8
157.10101	5.5
158.99709	2.0
159.11693	12.9
161.09712	1.7
161.13263	4.1
163.11197	2.4
165.09129	1.5
169.10045	2.4
171.11702	4.4
173.13287	2.3
175.11304	1.8
177.12733	4.9
179.14330	15.5
183.06555	4.2
183.11761	2.0
187.11189	4.0
193.12328	1.5
195.13727	2.0
197.13312	2.2
201.07602	1.9
205.12088	1.5
229.07335	1.7
229.19542	1.7
239.17943	4.0
247.20551	2.2
257.19058	8.5
275.20074	100.0
279.16049	1.6
284.12579	2.9
284.63080	2.8
293.21085	3.4
349.23755	43.4
357.15637	4.2
365.15356	6.6
365.65665	8.9
366.15564	2.1
377.23407	2.6
391.24933	2.7
457.25671	3.3
475.26993	1.8
493.27948	4.9
511.19623	3.6
511.28967	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
54.07679	1.9
55.01860	9.5
55.05513	27.0
57.03436	20.7
57.07074	2.0
57.98167	1.8
59.05020	2.3
61.02924	15.1
67.05507	54.8
69.03431	33.8
69.07074	28.7
69.80682	8.3
69.81087	2.5
71.04979	7.1
73.02912	8.7
79.05059	4.1
79.05491	46.4
81.03419	41.5
81.06582	3.1
81.07058	55.3
83.04982	12.1
83.08621	13.8
85.02908	26.8
85.06549	5.0
86.64879	2.5
91.03983	9.3
91.05486	44.6
92.52731	1.9
93.07043	42.7
93.40451	2.1
95.04966	11.4
95.08607	34.1
96.64742	2.0
97.02892	32.6
97.06538	14.1
97.10175	12.9
98.21474	4.1
99.04459	10.1
101.02379	5.5
103.03929	5.8
103.05453	2.3
105.07028	45.8
107.04964	8.5
107.08603	37.2
109.02885	9.8
109.06519	8.5
109.10158	21.8
111.04431	3.8
111.08147	2.6
113.09590	2.3
115.03868	2.9
115.05430	2.9
117.07018	21.3
119.08588	34.5
121.06533	6.9
121.10134	21.1
123.08023	4.7
123.11721	5.3
125.09629	11.8
127.03915	15.2
129.05458	5.5
129.07011	7.2
130.43042	2.2
131.08589	26.4
133.10127	27.9
135.08055	6.9
135.11717	11.1
137.09586	6.4
141.07022	2.5
143.08548	7.4
145.04970	4.9
145.10123	24.1
147.08026	4.7
147.11681	17.1
149.09627	16.3
149.13257	6.0
151.11194	6.1
155.08571	4.9
155.10693	3.1
157.10117	6.2
159.08028	4.2
159.11688	21.2
161.09656	5.4
161.13252	7.8
163.11171	13.1
164.07018	2.4
165.12778	3.9
169.10114	5.0
171.10271	3.7
171.11662	4.8
173.04463	5.0
173.09589	2.9
173.11961	2.5
173.13246	12.0
175.11198	3.6
175.14880	3.1
177.12732	6.0
179.14336	5.5
183.06520	3.7
183.11658	7.1
185.13190	4.6
187.11215	2.8
187.14766	2.2
189.11212	10.0
189.12791	2.7
195.13708	3.3
197.13261	3.0
201.07532	2.8
219.13896	2.0
227.12799	3.7
229.14339	4.2
229.19588	4.3
232.69273	2.2
239.17996	10.4
247.20630	8.2
257.13614	2.8
257.19016	16.2
269.17361	4.7
275.20074	88.6
293.21063	6.2
312.39078	1.9
331.22717	5.6
339.18057	2.5
349.23746	100.0
352.25247	2.4
383.22400	2.8
413.21494	7.3
419.24341	3.3
475.26651	7.1
493.28015	9.8
511.29254	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48627	0.9
52.97071	1.1
55.05524	5.2
56.31619	1.1
57.03432	4.8
57.07082	33.3
60.08177	6.9
61.02913	3.3
62.06078	4.1
67.05508	11.2
69.07066	6.6
71.07364	3.1
71.08638	25.9
71.57968	1.2
74.94236	1.1
75.04488	2.0
79.05459	1.3
81.07068	14.6
83.08632	10.4
85.02896	5.5
85.10193	13.1
86.09222	1.6
86.09715	25.4
88.07618	1.6
89.06053	1.5
95.08612	23.0
96.36093	0.9
97.02905	2.7
97.10163	5.2
98.98486	2.2
99.11735	1.6
104.10754	48.7
109.10160	10.7
111.11677	1.4
123.11700	3.4
125.00013	14.9
125.13258	1.1
125.59581	0.9
127.03954	1.7
133.10071	1.1
137.13286	2.1
156.14488	0.9
184.07353	47.0
200.33691	1.1
233.26089	1.1
239.23717	26.5
245.26512	1.3
257.24765	4.6
313.27380	100.0
314.28015	1.3
331.28467	15.4
337.27072	1.8
347.27826	1.2
368.54709	1.1
475.32593	1.8
492.34436	6.0
510.20901	7.4
510.35596	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	510.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05307	0.7
55.05517	9.3
57.03450	4.0
57.07079	60.9
67.05508	16.6
69.03432	10.8
69.07069	12.6
71.01377	1.0
71.04996	2.2
71.08636	51.3
71.42834	1.7
73.02922	1.2
79.05489	2.1
81.03419	8.9
81.07063	29.2
83.01316	0.8
83.08620	20.9
84.79610	0.8
85.02908	25.0
85.10183	28.4
88.07649	2.3
92.67076	0.7
93.07033	1.3
95.08611	45.8
97.02896	15.1
97.10175	9.5
99.04491	4.2
99.05059	0.9
99.11740	2.2
101.77701	0.8
104.10781	1.0
108.04480	1.5
109.02881	7.9
109.09458	1.4
109.10160	18.9
111.11725	3.0
113.13296	1.0
123.11733	9.4
125.13237	1.9
127.03920	20.5
127.04814	1.5
137.13260	4.7
145.04967	17.2
151.14799	1.2
165.16522	1.1
184.07300	1.0
221.22693	2.8
239.23695	61.9
257.24664	4.0
313.27368	5.1
329.26846	3.6
331.28638	1.4
341.26880	3.0
365.26730	0.9
383.27930	44.3
384.28778	0.9
401.28992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.3
55.01830	1.5
55.05466	2.8
56.04985	2.0
57.03386	2.8
57.07029	2.3
60.04529	8.8
61.02881	1.9
62.20355	0.5
67.05504	5.9
68.05043	2.6
69.03429	8.0
69.07071	2.7
69.47338	1.0
69.47744	4.0
70.06599	5.3
71.05001	4.2
71.08543	0.6
72.04492	0.6
73.02879	1.6
74.06040	1.0
79.05487	3.5
80.05015	5.8
81.03435	3.1
81.07058	7.5
82.06573	2.8
83.08559	0.9
84.08098	1.2
85.02910	16.2
85.06493	2.5
86.06028	1.0
86.09675	1.2
87.04425	1.8
87.60846	0.5
90.05543	0.8
91.03892	0.8
91.05495	2.8
93.07047	3.4
94.06569	10.9
95.06859	1.2
95.08610	6.4
96.08084	0.9
97.02894	7.0
97.06483	1.5
98.06033	1.2
98.06776	0.8
98.09634	0.5
99.04438	1.2
105.06984	1.3
107.08530	2.2
108.08054	1.2
109.02854	1.7
109.10157	2.9
110.09649	0.8
116.07043	1.6
119.08529	1.8
120.08042	1.6
121.10085	1.8
122.09568	0.6
123.11691	0.8
127.03902	4.2
132.06503	0.7
133.10068	1.4
134.09573	1.3
135.11671	1.0
138.09236	0.8
145.04843	0.7
146.53737	0.5
147.11681	0.9
148.11139	0.6
150.28752	0.6
162.12656	0.6
200.16359	0.6
209.08052	1.1
220.16951	0.7
220.20573	1.5
224.11499	0.6
226.21620	1.2
236.20068	0.9
237.20607	0.6
238.21684	15.6
245.61165	0.6
248.23613	0.7
254.20978	0.8
255.21504	1.2
256.20251	0.9
256.22739	11.1
264.23190	3.9
266.24756	0.7
274.23959	3.0
275.22052	0.9
276.23181	4.2
294.24268	8.6
300.25452	0.8
311.24051	0.7
312.25272	6.7
328.24844	4.1
329.25235	1.8
330.26306	17.8
332.26657	1.2
346.25980	1.5
347.26245	2.4
348.27438	74.2
349.27600	1.0
350.27313	1.2
390.28708	1.0
399.33405	0.6
456.29520	0.5
474.30963	1.3
492.31955	2.9
510.32562	100.0
511.33047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01872	1.4
55.05504	3.2
56.05031	2.5
56.05286	0.6
57.03426	2.8
57.07065	2.3
60.04531	10.1
61.02923	2.4
67.05503	7.1
68.05038	2.4
69.03432	8.1
69.07078	4.2
70.06599	6.9
71.04989	4.7
71.08159	1.4
72.04503	1.2
73.02921	2.5
74.06069	0.8
79.05500	2.2
80.05019	5.4
81.03410	3.9
81.07066	7.6
82.06584	3.6
83.08616	1.5
84.08149	1.6
85.02911	15.4
85.06548	2.1
86.06076	1.1
87.04478	1.5
87.55812	0.7
90.05604	0.6
91.03940	0.7
91.05499	3.0
93.07061	4.2
94.06571	11.1
95.08611	4.7
96.09022	0.7
97.02898	6.3
97.06546	1.9
98.06055	2.0
98.97600	1.4
99.04453	1.3
105.07026	1.5
107.08604	1.7
108.08111	1.4
109.02871	2.3
109.10187	2.4
110.09770	0.7
116.07101	1.3
119.08575	1.5
120.08152	1.2
121.10165	2.6
123.11732	1.3
124.07582	0.9
127.03950	1.8
133.10196	1.3
135.11740	1.0
136.07532	0.6
136.11224	0.8
151.11282	0.7
160.83885	0.7
166.08784	0.7
206.04591	0.7
220.20610	1.3
226.21742	0.7
227.16557	0.8
236.20184	1.4
237.20351	1.0
238.21675	12.5
254.21214	0.9
256.22760	9.6
262.21777	0.9
264.23245	2.5
274.23865	3.4
276.23169	4.5
294.24271	8.5
312.25366	5.6
328.24741	3.5
329.25256	2.8
330.26239	18.6
331.26312	0.9
332.26303	1.6
346.25995	2.5
347.26465	2.2
348.27417	65.9
378.35904	0.7
419.62091	0.8
466.20166	1.3
474.30331	1.3
492.31586	4.2
510.32480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06233	0.6
53.03945	1.1
55.01870	2.1
55.05521	0.9
56.05041	1.4
57.03427	0.9
58.06615	0.8
60.04529	18.8
61.02929	2.1
67.05507	3.5
68.05023	2.3
69.03434	9.3
69.07074	1.4
70.06582	1.7
70.95634	1.0
71.05000	4.1
72.04517	1.9
73.02920	1.9
74.06099	0.7
79.05498	2.7
80.05023	4.4
81.03418	3.9
81.07057	4.6
82.06588	1.7
83.04977	0.7
84.04502	1.4
84.08163	0.7
85.02905	12.7
86.06078	1.2
87.04479	1.9
90.05570	3.2
91.05492	3.3
92.04990	0.8
93.07049	2.4
94.06583	3.3
95.04984	1.1
95.08589	2.7
96.04491	2.3
96.08142	0.9
97.02904	4.6
97.06541	8.0
98.06073	1.3
99.04474	1.4
100.07607	0.6
105.07042	2.0
106.06596	0.7
107.08633	1.6
108.08129	1.4
109.02917	1.4
109.06531	1.3
109.10191	1.3
110.06043	2.3
111.08088	0.6
112.07601	0.5
112.33909	0.6
112.60297	0.6
114.05547	1.9
116.07089	0.8
119.08575	0.8
120.08092	1.4
121.10116	0.7
121.67381	0.7
122.06065	1.5
123.08067	1.0
124.07568	0.6
127.03935	2.0
130.93053	0.5
131.08557	1.0
132.06569	18.6
132.08122	1.0
133.10106	1.0
134.09650	1.2
136.07578	0.8
145.05032	1.3
162.12663	0.7
165.12727	1.1
197.15402	1.2
204.13834	1.3
206.15439	0.9
210.15001	0.8
210.18567	1.8
216.29643	0.6
220.17133	0.9
223.16988	1.7
234.14839	0.9
234.18579	2.1
236.20132	1.0
246.18581	9.7
248.20105	3.7
252.19638	4.6
258.18524	4.8
264.19754	3.2
276.19583	14.7
289.96570	0.6
294.20688	8.5
294.66653	0.6
312.21677	16.4
313.58038	0.7
330.22760	27.1
348.23816	47.3
372.23926	0.7
469.00421	0.6
492.28036	7.2
510.29138	100.0
511.29361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18833	0.9
53.03943	2.9
55.01863	3.5
55.05511	1.5
56.96548	1.1
57.03431	2.0
57.27066	0.8
60.42562	0.9
61.02921	2.4
65.03953	4.2
67.05499	1.9
68.99810	1.8
69.03436	8.1
69.07056	1.3
70.06586	1.0
70.61677	2.3
71.04994	2.0
73.02915	3.5
79.05480	2.2
81.03418	9.8
81.07045	2.6
85.02914	20.5
86.25729	0.8
87.00840	8.6
87.04504	1.0
91.05489	100.0
93.07030	1.5
97.02905	15.4
99.04452	3.9
105.01866	5.1
105.07037	1.8
107.08604	1.3
108.67741	0.9
109.02890	7.1
109.10128	1.4
117.01834	1.4
119.04987	1.5
119.08628	0.9
127.03930	13.9
129.01814	1.6
133.10132	1.0
145.04977	9.1
147.04393	4.0
149.02290	1.6
159.02965	5.1
165.09123	1.9
167.03392	1.7
171.11656	1.0
179.03448	2.0
191.03525	1.4
203.03392	2.5
215.03355	1.2
231.04936	1.9
233.04469	2.4
245.04463	3.8
245.08046	2.3
251.06865	1.9
263.05453	1.5
269.08118	12.2
270.82101	0.9
281.17297	1.4
287.08963	1.2
293.08090	5.7
302.13797	2.1
311.09155	5.8
317.08252	1.7
327.26309	1.4
331.12192	2.6
335.09171	14.6
349.05295	1.0
353.10236	7.3
421.09192	2.6
425.45267	1.0
439.10214	6.4
457.11221	2.2
523.37457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01863	2.2
55.05502	3.4
56.96564	1.1
57.03450	2.2
61.02929	1.1
65.03941	2.7
67.05491	2.7
68.30923	0.8
69.03442	4.6
69.07071	1.5
70.06573	2.1
71.05000	1.3
71.36802	1.8
73.02919	1.7
79.05502	1.9
81.03431	4.7
81.07060	5.5
82.07358	0.8
83.04992	1.7
83.08626	2.0
85.02902	14.1
87.00850	6.1
91.05487	100.0
93.07044	2.4
94.07413	0.9
95.04978	1.1
95.08598	3.8
97.02898	10.5
98.97594	1.4
99.04451	2.8
100.11261	2.7
105.01891	5.9
105.07026	3.8
107.08598	2.2
109.02885	5.6
109.10178	1.4
112.07597	0.9
115.03941	1.1
119.08586	1.6
121.10126	1.9
123.11696	1.4
127.03926	14.3
129.01855	1.8
129.03036	0.9
129.07056	1.0
131.08572	1.3
133.10104	0.9
135.08075	1.0
143.08490	1.0
145.04967	8.7
145.10173	2.4
147.04478	2.6
147.11705	1.3
152.00824	1.0
159.02892	2.7
167.03397	3.2
175.14876	1.1
181.10114	1.1
182.15419	2.0
183.08118	0.9
213.04047	1.0
231.04956	1.8
245.08136	1.2
329.96246	0.9
339.84039	0.9
367.17847	3.0
368.18179	1.9
382.24750	1.0
509.40509	2.1
510.24283	1.8
510.34503	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
55.05515	21.3
57.03405	2.9
57.07079	13.4
61.66866	1.9
67.05508	29.0
69.03416	4.8
69.07072	56.4
70.95687	2.2
70.96053	5.7
71.08624	6.5
72.78471	1.9
79.05498	18.2
81.03435	3.0
81.07062	95.4
83.04984	2.6
83.08633	35.7
85.02898	15.2
85.06554	10.6
91.05479	6.9
93.07039	22.2
93.88924	2.3
95.04945	3.0
95.08612	100.0
97.02896	3.0
97.10183	24.6
99.04443	2.4
99.08102	7.0
105.07041	6.6
107.04956	3.0
107.08595	25.0
109.06471	2.7
109.10165	65.4
111.08061	5.1
111.11729	25.7
113.09636	2.2
117.06985	3.4
119.08602	2.8
121.06516	2.7
121.10178	14.9
123.11711	40.4
125.09652	3.3
125.13295	18.2
127.03942	3.0
129.06989	2.0
131.08542	2.6
133.10107	3.1
135.11729	11.0
137.13249	34.5
139.14771	5.9
141.12805	2.3
143.08632	3.0
145.04929	3.4
145.10156	3.5
149.13275	34.7
151.14790	14.3
155.08571	2.6
155.14372	11.0
159.11613	2.9
163.11067	2.5
163.14842	13.6
165.16373	9.4
166.60312	2.2
167.14345	24.5
169.15849	5.5
177.16414	4.6
179.17938	7.4
191.17944	2.8
192.56956	2.4
193.19563	3.5
208.28255	2.0
218.40445	2.2
219.21077	3.5
233.15088	2.4
245.06319	5.9
249.25833	3.7
275.27304	19.2
287.03848	6.8
289.02063	2.8
289.05307	48.4
293.28394	51.2
311.29465	6.9
337.25555	2.6
385.23886	3.2
459.27200	2.7
465.24329	6.5
509.16876	3.5
509.23566	44.7
509.30661	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	509.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.9
55.01861	18.3
55.05514	58.5
56.96560	6.9
57.03440	32.5
61.02910	5.5
63.45311	3.3
67.05176	4.6
67.05506	64.5
69.03432	60.4
69.07077	27.0
69.90321	5.3
71.01334	5.5
71.04984	14.4
71.57288	4.4
72.48807	4.0
73.02893	4.6
73.44549	4.0
74.96519	4.5
79.05491	61.4
81.03421	78.8
81.07065	57.7
83.04967	17.2
83.08627	23.0
85.02892	27.9
91.05479	46.8
93.07049	51.5
95.04967	27.4
95.08601	26.4
97.02905	30.5
97.06523	12.6
97.10178	57.8
99.04449	16.9
105.07042	40.6
105.80735	4.2
107.04944	21.8
107.08598	40.3
109.02866	19.1
109.06516	16.3
109.10164	28.5
111.04454	9.1
111.08099	5.3
117.06234	4.2
117.07029	21.8
119.07838	4.7
119.08580	33.3
121.06490	12.6
121.10138	18.6
123.08043	11.1
123.11724	7.0
123.80148	4.1
125.09635	50.3
127.03915	31.1
129.05507	6.4
129.06990	17.1
131.04947	6.2
131.08583	23.2
133.06517	8.4
133.10144	22.0
135.07993	9.8
135.11659	6.2
137.09570	6.3
143.08543	10.6
145.06468	7.6
145.10101	18.2
147.04362	6.1
147.08032	17.7
147.11696	8.5
149.09549	10.6
151.11214	5.8
153.09093	8.1
157.10152	5.5
159.08072	5.9
159.11690	10.2
161.09604	9.1
163.11128	9.5
167.08588	5.5
169.10139	4.6
169.12196	5.2
171.10242	4.6
171.11739	10.0
173.04478	32.0
173.09599	6.4
173.13281	4.3
175.11118	4.8
189.11253	47.1
219.13812	5.8
223.13304	5.7
227.12712	20.2
233.15334	6.4
245.13686	4.2
245.19131	5.4
255.17274	5.1
267.15814	5.2
273.18573	36.2
291.19510	57.3
315.19473	4.7
339.23154	4.4
347.22250	13.8
357.20581	5.3
365.23242	10.5
367.22324	10.0
385.23495	14.3
393.22824	8.1
435.23782	7.8
459.27438	8.3
477.28680	7.5
491.25543	8.4
509.27725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05273	2.4
55.05515	37.3
57.03426	8.4
57.07077	16.1
61.02913	8.1
62.06093	4.1
67.05504	54.1
68.05845	5.4
69.03436	3.3
69.07069	52.1
70.05415	4.4
70.05830	7.0
71.08628	9.9
73.02907	2.6
79.05497	27.2
81.07060	68.8
83.04977	2.5
83.08623	42.3
85.02905	5.8
85.06543	4.8
85.10165	4.7
91.03938	3.6
91.05466	8.7
92.05811	3.2
93.07040	33.9
94.07380	4.7
95.08057	3.3
95.08615	53.8
96.08944	3.6
97.02882	4.5
97.06530	10.5
97.10179	23.7
98.21426	2.8
98.98476	19.9
99.08085	3.6
105.07001	4.5
107.08605	24.6
109.10157	24.4
111.08064	8.8
111.11692	7.3
119.08549	2.9
121.10146	45.2
122.10430	2.6
123.11693	16.7
125.09621	4.0
133.03258	2.1
133.10098	3.8
135.11702	34.1
136.12022	2.4
137.13272	10.7
139.11176	5.0
149.13257	18.1
150.13551	2.0
153.12750	4.4
154.93996	1.9
155.01062	6.0
156.03653	5.0
163.14774	7.0
173.02124	2.4
184.07379	4.8
219.21092	46.0
232.37830	2.1
237.22139	100.0
255.20955	2.7
255.23238	23.7
262.22440	4.2
311.25818	94.3
329.26871	42.3
335.25775	6.8
336.26123	34.9
337.27313	3.2
346.16336	5.0
347.17154	21.7
347.67239	2.1
473.31131	3.3
508.18994	7.0
508.29315	3.0
527.12634	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3123
Annotation	Broussonetine A
Peak:m/z	Relative Intensity
53.03947	0.7
55.01860	1.4
55.05512	4.2
56.05029	2.5
57.03434	4.5
57.07065	2.0
58.06619	0.7
60.04527	28.1
61.02925	1.3
62.10407	0.5
63.42012	0.5
67.05505	6.0
68.05031	4.1
69.03431	10.7
69.07076	3.9
70.06585	2.1
70.73695	1.2
71.01352	0.8
72.04504	2.4
73.02910	2.5
79.05481	1.9
80.05016	7.2
81.03417	1.0
81.07051	5.9
82.06574	1.9
83.04986	0.7
83.08617	2.1
84.04496	1.5
84.08134	0.6
85.02903	9.1
85.06553	0.7
86.06073	1.7
86.09691	0.8
87.00805	0.9
87.04461	2.4
89.02380	0.6
90.05563	2.7
91.05490	2.0
93.05763	0.6
93.07058	2.8
94.06582	4.8
95.08614	5.9
96.04482	2.8
96.08131	1.2
97.02896	23.0
97.06533	1.1
98.06055	2.0
98.09786	0.5
99.00815	0.6
101.02401	2.7
102.05558	0.7
103.03946	0.6
105.07051	1.4
106.06582	1.2
107.08593	2.1
108.08097	0.8
109.10152	1.8
110.06036	2.8
112.07633	0.6
113.02350	1.7
114.05528	1.6
115.03918	4.1
116.07006	1.1
119.08595	0.9
120.08105	1.5
121.10159	1.7
122.06024	0.8
122.09728	0.7
123.11671	0.7
125.02361	1.0
128.10638	0.6
131.94402	0.6
132.06575	14.8
133.10127	1.1
134.09644	0.5
135.11684	0.7
136.07578	0.7
143.03426	1.0
147.04384	0.9
161.04491	1.5
170.57108	0.6
210.22270	0.8
214.21709	0.7
228.23366	0.9
236.20190	0.7
238.21678	0.9
246.22076	2.6
248.23808	0.8
250.21782	0.8
252.23253	2.3
254.21211	0.8
256.22806	1.7
258.22162	1.2
260.22351	0.8
264.23300	4.2
266.24863	1.5
270.24301	3.3
276.23248	6.1
282.24341	1.3
292.22766	1.4
294.24286	8.8
298.23810	2.4
304.22775	0.9
310.23691	1.0
312.25320	8.9
322.23785	1.3
327.26447	0.8
328.24823	2.1
330.26370	18.1
330.30246	1.1
332.28000	0.8
340.24805	2.8
346.25925	3.9
348.27454	17.0
353.56323	0.7
358.25861	6.8
372.27426	1.7
376.26901	2.9
430.27640	0.7
472.29126	1.3
490.30145	22.5
508.31204	100.0
509.31403	1.3
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
52.78011	0.8
53.03934	1.7
55.01870	3.2
55.05513	4.6
56.05040	4.1
57.03442	5.2
58.06617	0.8
60.04531	17.9
61.02921	3.4
62.06081	1.3
65.03949	0.9
67.05505	14.0
68.05020	2.6
69.03082	1.0
69.03432	13.2
69.07053	3.5
70.06600	9.6
70.14729	3.0
71.01369	1.0
71.04991	6.9
72.04512	3.0
72.08165	4.7
72.08480	0.8
73.02914	3.7
74.06076	1.8
79.05495	11.1
80.04620	0.9
80.05022	9.4
81.03419	6.5
81.07055	15.1
83.04993	1.8
83.08627	1.8
84.04507	2.5
84.08148	3.9
85.02428	1.6
85.02908	20.6
85.06538	2.0
86.03154	0.8
86.06049	2.9
86.09706	3.3
87.04472	3.0
90.05543	2.3
91.03935	1.8
91.04979	0.8
91.05477	8.9
93.07050	10.9
94.06564	10.3
95.04973	2.3
95.08604	10.4
96.04478	1.5
96.08123	2.7
97.02887	11.0
97.06516	7.1
98.06050	3.6
98.97582	1.8
99.04454	1.3
101.91771	0.9
102.05527	1.0
105.07040	5.0
106.06568	2.3
107.08599	5.7
108.08147	1.5
109.02885	2.1
109.10191	3.9
110.06039	1.7
110.07199	1.3
110.09670	1.6
111.08100	1.0
112.07641	1.0
114.05504	1.2
115.03935	1.1
116.07098	2.1
117.07014	2.2
119.04964	1.2
119.08615	5.2
120.08108	7.8
120.10735	0.9
121.10141	2.9
122.06033	0.9
122.09690	1.8
123.08054	1.2
124.07571	2.3
127.03907	2.7
129.07071	0.9
129.10208	1.0
131.08571	3.6
132.06561	7.7
133.10121	3.3
134.09682	1.7
135.11722	2.1
136.07536	2.0
137.09616	1.2
138.12854	0.9
140.07091	1.0
145.04907	1.5
145.10135	3.0
147.04388	3.2
147.11661	1.8
148.11278	1.1
155.10667	0.9
156.43390	0.8
158.99594	0.8
159.11699	1.5
161.04591	0.8
161.13318	1.0
173.13322	1.2
190.08348	1.0
201.16391	1.0
204.13849	1.0
207.13751	0.9
218.19125	1.0
224.20110	2.7
234.18611	1.8
236.20149	10.4
246.18509	3.8
248.20168	1.9
252.19467	1.0
254.21187	17.8
258.18588	2.6
262.21561	1.8
264.19818	1.4
264.22632	0.8
274.21683	5.0
276.19632	4.4
280.22479	1.1
292.22714	7.4
294.20648	3.1
298.07751	0.9
310.20261	1.3
310.23706	10.6
312.21701	4.8
326.23318	1.8
327.23575	1.0
328.24817	100.0
330.22659	4.2
344.24246	2.7
345.24646	1.2
346.21707	1.1
346.25830	14.8
348.23987	5.2
362.25198	1.2
370.26053	1.0
472.28372	0.9
490.30359	53.5
508.30518	46.8
509.27728	1.0
532.01691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3117
Annotation	Broussonetine B
Peak:m/z	Relative Intensity
52.96238	0.6
53.03934	1.6
55.01875	3.4
55.05515	4.6
56.05026	2.6
57.03434	3.0
58.06581	0.7
60.04528	10.0
61.02944	3.4
67.05504	7.6
67.29224	0.7
68.05033	1.1
69.03432	14.1
69.07058	2.7
69.33527	5.7
69.33864	0.8
70.06591	6.0
71.04995	7.1
72.04518	1.4
73.02921	2.1
79.05499	4.5
80.05018	7.8
81.03422	7.7
81.07058	6.9
82.06577	5.8
83.04977	2.1
83.08608	1.3
84.08144	1.0
85.02911	19.0
85.06557	1.4
86.06052	1.0
87.04491	1.8
87.38593	0.6
90.05573	1.2
91.03958	1.3
91.05499	3.6
93.07045	6.3
94.06568	11.9
95.08623	8.2
96.04515	0.7
96.08111	2.0
97.02892	8.0
97.06525	6.5
97.10175	0.8
98.06046	1.9
99.04450	1.3
99.77602	0.6
101.02360	0.7
105.07020	3.3
106.06546	1.6
106.23569	0.6
107.08586	3.3
107.73254	0.6
108.08139	2.1
109.02888	2.4
109.06512	0.8
109.10168	2.3
110.06113	0.7
110.09661	1.2
110.85844	0.5
111.08096	2.1
112.07600	0.7
117.06991	1.0
119.08562	2.4
120.08092	2.5
121.10162	2.6
123.08154	0.9
124.07582	1.1
131.08582	1.4
133.10132	1.6
134.09653	2.1
135.11705	1.5
136.11194	0.7
137.09618	1.3
138.12833	1.0
145.10127	1.4
147.11696	1.0
152.14363	1.5
157.10104	0.8
159.11688	1.0
179.14346	3.5
180.13795	1.2
189.39169	0.5
190.15869	0.8
192.81046	0.7
194.15334	0.9
208.16986	2.0
208.20667	1.0
218.18968	1.2
224.20151	2.3
236.20091	32.0
244.20686	1.1
250.18018	0.8
254.18500	1.4
254.21175	24.1
259.41693	0.6
262.21677	2.1
264.19757	0.7
264.23282	1.7
272.22256	1.3
274.21710	8.2
292.22726	9.7
310.23767	5.7
328.24823	46.1
346.25891	64.3
349.15997	0.6
370.25946	1.3
406.39999	0.7
490.30182	17.2
500.32642	0.7
508.31198	100.0
509.31598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3117
Annotation	Broussonetine A
Peak:m/z	Relative Intensity
53.03953	1.3
55.01865	1.9
55.05517	4.4
55.05739	0.8
56.05031	2.6
57.03443	3.1
58.06595	1.4
60.04531	7.8
61.02919	2.6
67.05505	6.3
68.05024	2.3
69.03436	11.7
69.07055	3.2
69.87724	3.4
70.06587	6.5
71.04993	3.8
72.04530	0.8
73.02906	2.5
79.05502	5.9
80.05019	8.0
81.03431	5.5
81.07060	7.8
82.06573	4.3
83.04994	3.1
83.08629	0.9
84.04559	0.7
84.08144	1.1
85.02908	15.2
85.06541	3.1
86.06075	0.7
87.04463	1.1
91.03954	0.9
91.05499	3.1
93.07053	6.8
94.06573	9.7
95.08608	6.1
96.04492	0.7
96.08125	1.8
96.46840	0.6
97.02892	6.8
97.06525	1.4
98.06050	2.5
99.04454	1.0
100.35127	0.7
101.02447	0.8
103.03983	0.6
105.07057	2.0
106.06570	0.9
107.08602	2.8
108.08117	1.4
109.02876	2.3
109.10187	1.7
110.06068	1.0
111.08089	2.6
112.07543	0.8
116.07096	0.7
117.07016	1.4
119.08582	2.5
121.10162	2.9
123.08064	1.6
123.11852	0.7
127.03924	3.0
131.08586	1.0
132.06549	1.4
133.10117	1.9
134.09647	1.9
135.11700	1.6
136.11272	0.7
138.12790	2.8
145.10081	2.2
179.14336	9.9
180.13876	2.1
206.15453	0.7
208.17021	2.4
208.20636	1.0
214.95511	0.8
215.43127	0.7
218.15451	0.7
218.19058	1.0
219.17453	1.6
224.20160	2.1
236.16568	1.5
236.20087	23.6
244.20541	1.0
248.20161	0.9
254.21162	38.2
255.84480	0.7
262.21741	3.0
263.20050	0.9
264.19644	1.8
264.23288	1.2
272.22223	4.4
274.21655	4.5
292.22714	13.5
301.23169	0.7
310.23795	5.9
328.21439	0.5
328.24799	33.9
346.25894	72.9
362.25540	0.7
370.25900	0.7
388.27124	1.0
472.29028	1.2
490.30136	8.4
508.31183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01862	2.0
55.05512	1.4
56.05030	1.9
57.03438	2.6
58.06599	0.5
60.04528	18.4
61.02914	1.2
62.06086	1.5
67.05508	4.0
68.05031	2.2
69.03430	4.6
69.07053	1.5
70.06590	2.4
71.01382	0.5
71.04998	3.7
72.04514	2.8
72.08153	1.1
73.02921	3.0
79.05497	3.0
80.05020	4.5
81.03426	2.7
81.07053	3.6
82.06568	1.6
83.04986	0.7
83.08608	0.9
84.04486	1.1
84.08150	1.1
85.02912	7.0
86.06069	0.8
86.09728	0.7
87.04475	1.5
90.05548	2.3
91.03955	0.6
91.05485	2.7
93.07047	3.2
94.06571	3.6
95.04971	1.9
95.08602	1.9
96.04482	1.2
96.08135	1.2
97.02894	6.8
97.06541	7.3
98.06055	2.2
99.04492	0.4
101.02356	0.9
102.05547	0.5
105.07035	1.4
106.06576	1.5
107.08588	1.1
108.08099	0.9
109.05257	0.8
109.10185	0.7
110.06043	1.9
111.08082	1.2
113.02358	1.8
114.05530	1.4
115.03926	1.2
119.08572	1.8
120.08098	2.1
121.06464	0.5
121.10100	0.9
122.06062	1.2
123.08071	0.6
125.02403	0.6
129.07025	0.7
129.10272	0.6
131.08562	0.7
132.06572	14.3
132.08051	0.7
133.10110	1.3
134.04549	0.8
134.09665	1.4
135.11697	0.5
136.07578	1.8
142.08710	0.6
143.03394	0.7
145.10059	0.7
151.11145	0.6
154.93962	0.5
161.04460	0.7
161.13306	0.5
162.09172	0.5
163.09949	0.5
165.12708	0.7
167.07072	0.6
176.14336	0.6
179.14259	0.5
192.13765	0.6
193.12303	2.0
197.15373	0.9
204.13829	0.7
206.15451	0.6
210.14931	2.0
210.18539	0.9
223.16986	1.9
228.15808	0.6
234.14850	0.6
234.18568	1.4
236.20090	0.6
238.18111	0.5
246.18561	6.9
248.20222	2.3
252.19629	2.8
258.18567	4.3
264.19577	2.8
264.48792	0.5
267.15836	1.0
276.19595	9.9
285.17053	2.5
294.20630	6.7
302.19452	2.0
312.21686	9.8
330.22742	8.0
346.22083	3.3
348.23798	7.7
358.22372	1.3
376.23587	0.8
436.10944	0.4
472.25491	1.3
482.11679	0.6
490.26480	9.9
508.27542	100.0
509.27914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2933
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
55.05511	1.2
67.05513	2.3
69.07063	1.8
70.56725	0.6
70.57080	1.3
79.05482	1.7
81.03426	0.5
81.07052	4.6
83.04974	0.5
83.08628	1.3
85.02917	0.8
85.06549	0.5
85.18362	0.4
85.25577	0.4
91.05492	1.2
93.07052	1.6
95.08617	3.0
97.10141	0.9
105.07034	1.1
107.08607	1.7
108.34402	0.4
109.10144	2.6
111.04477	0.5
111.08081	0.8
119.08566	2.1
121.10155	0.8
123.11707	1.1
125.09629	0.5
128.07019	0.6
133.10167	0.6
135.08127	0.7
135.11720	0.9
137.09615	2.3
137.13269	0.6
149.13264	0.7
154.12253	0.5
163.14825	0.7
165.09126	16.2
173.09404	0.5
189.11281	0.9
189.41971	0.4
201.03714	1.0
202.06569	0.5
203.05280	8.1
231.29849	0.4
273.25879	0.9
287.15009	0.4
289.05505	0.6
291.26834	1.1
309.21960	0.5
309.27966	0.7
327.22949	5.4
329.24405	3.5
353.15689	4.9
377.21555	0.5
450.81335	0.5
507.29327	100.0
508.29517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24516	2.1
55.05513	22.0
56.96560	2.6
57.03436	2.8
57.07064	6.7
59.05000	12.9
63.53215	1.8
65.03937	2.2
67.05505	24.5
69.03417	4.1
69.07070	56.3
69.75655	4.7
69.76060	7.5
71.04997	2.7
71.08640	2.7
77.70052	1.9
79.05505	13.1
80.62445	1.8
81.03420	4.9
81.07063	68.2
83.05001	2.3
83.08620	26.3
85.02909	6.7
85.06541	8.6
91.05477	8.0
93.07046	25.0
95.08614	82.4
97.02859	3.0
97.06541	5.5
97.10194	15.7
98.20845	3.9
98.97543	2.1
99.08098	8.6
105.07027	9.0
107.04983	1.9
107.07969	2.3
107.08605	23.9
109.10166	47.2
110.10371	1.9
111.08071	2.4
111.11742	14.5
117.07031	3.0
119.08580	8.6
120.08165	3.0
121.10176	19.5
123.11718	40.1
125.09649	3.0
125.13280	6.2
125.42921	1.9
127.03910	2.6
131.08557	2.4
133.10149	5.6
135.11713	18.8
137.13272	29.5
139.11179	3.9
145.10132	3.9
147.04454	2.9
147.11653	4.7
149.13260	20.0
151.14804	7.6
153.12752	4.0
161.13263	4.1
163.11310	2.5
163.14824	15.4
165.16402	9.0
175.14861	4.5
177.16393	7.8
179.17979	2.4
181.63570	2.1
189.16464	3.7
191.17952	6.4
203.05296	8.5
203.17931	4.8
205.19492	3.7
217.19489	3.8
221.22693	3.3
227.12872	3.0
238.39821	2.0
244.08147	1.9
245.72327	2.0
246.55586	2.0
251.23790	6.7
259.09518	2.1
261.25787	23.7
273.25781	24.3
279.26807	51.7
289.05270	7.7
291.26843	48.7
309.27899	22.4
320.27222	2.2
327.22836	9.3
329.24670	3.6
507.22031	12.0
507.29263	100.0
522.43732	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	507.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71679	0.7
52.26786	0.7
55.05498	3.7
57.07058	2.3
66.99115	0.8
67.05510	10.5
68.88120	0.8
69.07050	2.8
71.08625	2.0
79.05495	4.3
81.03411	1.1
81.07058	9.4
83.08590	2.7
91.05470	2.8
93.07062	6.3
95.08613	5.7
96.01871	2.6
96.67113	0.7
97.06501	1.1
97.10151	1.9
105.07032	1.4
107.08569	3.7
109.10168	6.0
111.08127	0.8
117.07002	1.0
119.08593	1.6
121.10136	2.6
122.03421	1.0
123.11742	1.2
125.09569	1.2
129.07069	1.0
131.08540	1.5
133.10133	2.2
135.11713	1.5
143.19252	0.9
147.11736	1.6
149.13303	1.1
153.01566	7.4
159.11662	1.4
171.11752	1.0
173.11798	1.1
180.11220	1.3
188.99864	1.1
195.09923	1.2
207.10069	1.1
209.11499	100.0
214.73390	0.8
220.14333	6.0
225.11214	1.0
227.01573	1.0
229.14375	3.7
235.13106	1.9
237.14662	1.9
249.14629	54.6
261.22110	1.2
264.13422	1.1
265.14200	4.5
314.23154	1.0
321.16687	1.3
335.25970	1.8
461.28384	1.8
489.35938	4.4
507.29800	7.2
507.39700	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	507.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
56.96570	1.4
58.99867	2.5
67.05491	2.4
69.07034	0.8
69.23544	5.8
77.00908	6.5
79.05489	1.6
81.07052	2.4
84.71062	0.6
85.01406	1.2
91.05476	1.8
93.07065	1.5
95.01952	1.8
95.08606	1.9
97.01408	0.9
100.02510	0.7
103.02451	3.0
105.07051	1.4
107.08583	1.4
109.10170	0.9
109.13882	0.5
115.02434	1.9
117.25948	0.5
119.08600	1.2
119.74971	0.6
121.03509	1.1
121.10149	0.9
121.46646	0.5
125.04494	0.6
127.37792	0.6
129.03941	0.7
131.01939	0.8
133.03410	0.8
135.11739	1.4
138.52049	0.5
141.03923	2.8
143.05548	5.1
147.05052	1.3
147.11765	0.8
151.09676	2.0
155.05537	10.9
156.96394	0.8
157.03485	1.8
157.07120	2.2
159.04967	1.2
161.06636	6.0
165.06071	0.9
169.07141	2.0
169.10760	5.9
171.05045	3.4
171.08669	4.9
173.06602	10.1
175.08159	4.7
177.11324	0.7
178.07111	0.7
179.05540	0.9
179.07698	0.9
181.07103	1.3
183.08748	0.9
185.06610	1.8
187.08183	2.4
189.09718	5.2
193.09262	2.2
195.08652	3.4
195.12415	1.3
196.08258	0.8
197.10239	1.9
199.08220	0.9
205.10699	2.0
207.10666	1.3
207.12338	7.4
213.09680	5.9
221.10245	2.3
221.12343	1.4
223.11829	4.3
225.09935	0.6
225.13371	13.5
227.11046	0.7
227.13036	0.8
231.01114	3.7
231.10797	1.6
233.10242	1.1
237.13356	0.8
239.11292	2.5
239.14932	2.0
241.12929	2.5
243.14433	1.0
248.14861	1.5
251.11331	9.5
257.12378	0.8
257.15930	1.0
265.12668	2.7
269.12366	9.2
274.12833	1.3
279.48654	0.6
283.13913	44.0
284.14377	0.8
287.13550	1.4
299.20013	0.7
301.14960	31.2
306.15491	8.2
324.16602	1.9
335.25824	1.7
349.16925	1.0
463.29248	1.1
475.25327	4.2
489.27560	1.6
507.28055	100.0
508.28091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03948	2.4
54.58034	0.9
55.05516	8.6
56.96572	1.0
57.03444	8.0
65.03933	1.5
67.05508	40.9
69.07066	8.5
70.96236	2.4
72.60125	1.1
79.05065	1.4
79.05498	17.6
81.07062	31.6
83.08620	3.8
85.02882	0.9
85.06535	1.4
91.05501	7.9
93.07052	22.1
95.04951	1.5
95.08614	27.1
98.98472	27.7
105.07051	5.9
107.08607	8.8
109.10164	12.8
117.07017	3.0
119.08589	4.9
121.10131	11.0
123.11718	2.5
131.08540	2.7
133.10146	3.7
135.11694	5.4
136.93159	1.9
137.13258	1.6
145.10136	3.0
147.11693	2.7
149.13243	2.2
154.94177	2.5
155.01067	4.0
159.11684	1.8
161.13281	2.2
172.95241	3.2
173.02083	4.8
173.13217	1.2
187.14729	1.4
220.14859	1.0
228.97835	1.4
243.21300	1.6
261.22162	4.0
317.24710	1.9
335.25818	100.0
346.16418	1.3
403.76563	1.1
413.59015	1.1
451.17410	1.3
507.19785	3.9
507.29160	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	507.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25523	1.2
53.03938	2.3
55.01869	19.8
55.05510	6.1
56.96570	1.8
58.99583	3.7
59.56672	1.2
59.67083	1.0
60.04520	1.6
61.02919	1.4
67.05507	12.9
69.03432	5.5
69.07072	20.2
70.02958	1.8
71.05006	1.9
71.56851	1.6
71.57218	1.2
72.08127	1.2
73.02950	1.6
74.85558	1.2
76.02229	5.2
76.04016	1.4
79.05499	11.2
81.03423	4.8
81.07059	18.7
83.05007	2.9
83.08626	4.4
84.04500	16.4
85.02919	4.2
85.06512	1.8
86.00654	1.6
86.09725	1.4
86.99018	2.2
91.05477	12.3
91.05940	1.3
93.07038	14.1
95.01353	1.5
95.04983	6.0
95.08611	13.2
97.02911	4.1
97.06527	6.1
97.10189	1.7
98.09352	1.2
98.97594	2.4
102.00145	1.4
103.05470	1.9
105.07034	15.9
107.04977	12.3
107.08607	9.1
109.02885	3.5
109.06512	4.6
109.10165	7.7
110.99046	2.1
111.08117	2.6
111.11783	1.1
112.03961	18.2
113.00603	1.5
115.05653	1.8
116.01679	9.0
117.07011	8.1
119.04984	3.1
119.08595	13.4
120.08083	1.6
121.06517	15.1
121.10154	4.7
123.04436	1.9
123.08076	2.9
123.11699	2.4
125.04236	1.2
127.02162	11.0
127.03955	2.2
128.01736	1.8
128.06233	1.9
129.07011	15.9
130.05005	100.0
131.04936	2.1
131.08583	22.6
133.06487	8.3
133.10141	8.3
135.08081	6.6
135.11723	2.6
137.05966	2.4
137.09639	3.8
137.13237	1.8
139.02174	1.4
140.01653	1.3
140.10931	1.2
141.07115	6.9
142.07834	2.2
143.08542	10.1
144.01173	4.2
145.06555	8.8
145.10127	9.8
147.04445	5.6
147.08066	11.6
147.11659	2.9
149.04259	1.4
149.05957	2.2
149.09615	6.9
149.13274	2.9
151.07556	2.1
153.06952	1.7
155.08578	9.1
156.09366	1.8
157.06503	4.8
157.10121	21.0
159.08073	4.9
159.11690	5.4
160.00714	2.6
161.05956	1.7
161.09654	4.3
161.13281	2.0
162.02194	8.6
162.69760	1.3
163.05879	1.5
163.07571	4.5
165.07056	3.9
165.09135	20.7
166.07840	2.5
167.01701	1.7
167.08597	5.7
168.09302	1.6
169.06703	2.0
169.10120	8.5
171.08046	9.0
171.11699	17.4
172.08890	3.1
173.05962	1.6
173.09616	22.6
173.13312	1.8
175.05823	1.4
175.11172	2.9
177.09128	2.7
179.04858	2.2
179.08601	3.2
181.10112	9.1
182.10948	2.6
183.08121	3.8
183.11676	8.1
184.08778	1.8
185.09616	28.5
185.13300	2.3
187.07564	2.3
187.11194	7.1
189.03343	4.0
189.07501	1.5
189.09183	3.4
189.12799	2.9
191.08789	1.2
191.10654	1.3
193.10149	2.2
195.08157	2.6
195.11752	5.7
197.09666	6.1
197.13339	5.3
198.10594	1.9
199.07581	3.0
199.11179	18.8
201.09129	5.4
201.12845	4.1
203.08855	3.2
203.10709	2.4
205.10289	2.5
207.08104	2.3
207.11748	2.8
207.13789	3.6
209.09705	3.7
210.10347	1.4
211.11156	1.6
211.14946	2.1
213.09171	4.8
213.12674	1.6
213.16457	4.2
215.07086	2.9
215.08873	2.5
215.10626	11.6
219.10107	2.7
221.09802	2.3
221.13338	3.8
223.07887	2.0
223.11250	2.8
223.14899	5.8
225.09180	3.0
225.12859	3.5
226.04350	1.4
227.10674	30.0
227.14111	2.2
227.17992	1.8
229.12268	3.3
231.08406	6.9
235.11131	2.2
235.14944	2.9
237.12715	2.0
237.16417	4.9
239.14366	1.9
241.06807	10.5
241.15862	20.6
243.10258	9.2
251.14369	1.8
253.12384	3.1
255.10194	16.6
255.17444	13.4
259.07748	14.5
261.11325	5.5
263.14331	1.7
265.15973	10.2
273.11172	29.1
273.25781	1.6
275.07327	6.3
275.14288	1.5
277.08994	5.2
281.15329	1.9
283.16974	14.7
285.18561	2.7
287.07385	16.2
291.13739	1.7
291.26752	2.5
293.15375	3.6
297.13016	2.3
301.17972	6.4
305.08420	29.0
309.15186	1.5
311.16406	46.6
312.10654	3.9
312.16644	1.5
315.14142	5.9
325.12717	3.2
329.17480	31.6
330.11630	8.0
341.10489	1.3
343.13654	14.9
351.14066	1.6
358.11136	1.6
360.12732	1.6
361.14685	55.3
368.16794	2.8
369.15240	2.8
386.17926	9.7
404.18964	2.9
414.17450	3.8
416.11652	9.0
433.14151	8.6
434.12680	29.2
435.92270	1.5
451.15353	15.8
471.19595	8.7
472.18002	28.4
489.20523	52.9
490.19016	23.9
507.21719	77.7
507.29547	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	506.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.3
56.05035	2.6
57.03432	10.1
57.07076	14.3
60.08169	14.8
60.88086	2.1
61.02925	7.7
65.03938	2.2
67.05510	74.0
68.05815	2.6
69.07076	28.2
70.45338	5.5
71.05017	2.6
71.07359	5.3
71.08646	5.0
72.08150	2.5
73.02917	2.7
76.17123	2.3
79.05508	22.1
81.07061	85.6
82.35571	2.2
83.08614	15.7
85.02914	7.9
85.06552	5.9
86.09722	30.4
91.03987	4.7
91.05480	25.5
93.07043	25.3
94.40180	1.9
95.04974	3.3
95.08612	80.2
97.06540	8.6
97.10174	8.6
98.98476	7.7
99.08102	11.0
104.10751	64.5
105.07054	16.3
107.08595	17.4
109.10175	33.0
111.08102	5.0
113.09666	8.0
119.08579	21.5
120.58059	2.3
121.10156	27.5
123.11722	16.6
125.00016	22.8
127.11238	6.5
129.05519	2.8
131.08521	2.8
133.10123	19.9
135.11713	23.1
137.13246	22.7
139.11137	2.6
145.10124	3.8
147.11699	17.3
149.13254	6.0
151.14824	17.9
153.12775	2.6
161.13254	20.7
173.11661	2.3
175.14812	6.2
179.14468	2.3
184.07356	73.6
217.19528	86.7
235.20592	100.0
260.20953	3.1
309.24280	47.7
327.25330	6.7
334.24573	13.2
471.29669	5.3
475.01373	2.3
488.31686	4.3
506.32803	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	506.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01869	0.8
55.05505	1.6
56.05027	0.9
57.03452	1.9
57.07078	0.3
58.38157	0.3
60.04527	7.8
67.05518	2.3
68.05009	1.0
68.89927	0.3
69.03437	1.9
69.07070	1.3
69.28298	2.9
70.06586	1.9
71.04992	0.9
71.89777	0.3
72.04511	0.6
73.02930	1.4
79.05502	2.1
80.05019	5.3
81.07063	3.2
82.06584	2.9
83.04990	0.8
84.04497	0.6
84.08133	0.4
85.02913	3.7
85.06530	0.8
87.04464	1.1
90.05573	0.9
90.46662	0.3
91.05460	1.5
93.07055	2.1
94.06569	6.9
95.04959	0.4
95.08613	2.4
96.08173	0.4
97.02897	6.6
97.06533	1.1
98.06067	0.8
98.21449	0.6
101.02379	1.4
105.07021	0.4
106.06549	0.6
107.08569	0.6
108.08116	1.4
109.10196	0.4
110.09743	0.3
111.08086	1.6
113.02374	1.6
115.03942	1.3
116.07101	0.7
117.06966	0.4
119.08605	1.1
120.08104	1.2
121.10162	1.2
122.55793	0.3
123.08077	0.5
125.02349	0.5
131.08589	0.6
133.10114	0.7
134.09683	0.9
135.11664	0.6
138.12730	0.7
143.03403	1.1
145.10118	0.5
156.42120	0.3
161.04489	0.5
162.12717	0.4
176.72246	0.3
179.14331	1.5
180.13855	0.3
181.10979	0.3
190.15936	0.4
206.15422	0.5
208.16940	0.7
218.15410	0.4
224.20088	1.8
236.16479	0.8
236.20111	5.2
244.20677	1.0
246.18471	0.6
248.19965	0.4
250.21631	0.6
254.21149	5.7
262.21686	2.2
264.19641	0.7
264.23175	0.8
272.22247	0.6
274.21661	6.1
282.20721	0.9
292.22681	6.7
300.21686	1.5
310.23782	3.7
320.22357	0.4
328.24832	19.5
346.25894	21.4
356.24271	1.8
374.25232	3.5
388.26816	0.6
458.57413	0.3
488.28455	1.1
506.29639	100.0
507.29517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01863	2.0
55.05508	1.3
56.05030	1.8
57.03450	2.2
58.60499	0.4
60.04528	12.6
61.02931	0.6
67.05508	3.7
68.05026	1.1
69.03430	4.5
69.07071	1.6
69.52687	2.5
70.06594	2.1
71.01342	0.9
71.04994	4.2
72.04509	1.8
73.02905	2.1
74.06059	0.5
79.05503	3.6
80.05017	6.8
81.03427	1.6
81.07063	3.8
82.06574	5.0
83.04990	0.7
83.08615	0.8
84.04506	0.5
84.08151	0.7
85.02908	5.9
85.06576	0.6
86.06064	0.7
87.04472	0.7
90.05563	1.1
91.05472	2.1
93.07046	3.0
94.06570	9.4
95.08611	3.6
96.08145	1.2
97.02893	7.6
97.06533	7.4
98.06063	1.4
99.00815	0.5
101.01502	0.4
101.02377	1.1
105.07038	1.4
106.06541	0.4
107.08603	1.4
108.08113	2.0
109.10171	1.8
110.06101	0.5
111.08086	0.8
111.19257	0.4
113.02379	2.3
115.03934	1.2
116.07159	0.8
117.07008	0.6
119.08590	1.2
120.08116	2.0
121.10150	1.1
122.09718	0.6
131.08554	0.9
133.10138	0.8
134.09673	1.6
135.11674	0.7
143.03412	1.0
147.11708	0.9
161.04456	0.6
204.17554	0.9
204.25879	0.4
220.17104	0.8
224.20132	1.6
236.20125	7.9
244.20508	1.0
246.22234	0.7
250.21771	0.9
254.21162	5.2
262.21646	3.7
263.19995	0.5
264.23297	2.1
274.21674	8.9
292.22766	6.8
308.57211	0.4
310.23782	4.1
328.24826	40.5
340.48239	0.4
346.25882	14.9
356.24307	0.6
374.25320	1.7
444.49591	0.4
488.28741	1.9
506.29633	100.0
507.29910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01873	1.1
55.05502	1.9
56.05029	0.9
57.03421	1.3
57.07063	0.7
57.83456	0.4
60.04530	12.7
61.02918	2.0
64.03503	0.5
66.65723	0.5
67.05500	3.8
69.03432	7.4
69.07081	2.9
69.49454	2.7
69.49860	0.9
70.06589	1.0
70.90416	0.4
71.04987	1.5
72.04504	1.9
73.02911	1.4
74.06056	0.9
79.05092	0.7
79.05489	4.5
80.05021	2.7
81.03406	3.8
81.07063	4.5
83.04962	1.2
83.08572	1.1
84.04507	1.1
84.08141	0.6
85.02906	11.7
85.06551	1.7
86.09735	0.7
87.04468	1.7
90.05567	2.0
91.05467	2.2
93.07042	4.1
94.06575	2.0
95.04981	1.0
95.08615	4.4
96.04479	1.8
96.08125	0.8
97.02895	5.3
97.06507	1.6
97.10192	0.7
98.06071	1.4
98.21514	1.0
98.97595	0.6
99.04459	1.1
102.05605	0.8
105.07027	2.1
106.06534	3.9
107.08569	1.4
108.08094	0.9
109.02879	1.6
109.10164	1.9
110.06070	1.0
111.08043	0.7
114.05513	0.9
117.07001	0.7
118.06586	0.8
119.08601	2.4
120.08109	3.1
121.10135	2.4
122.06013	1.1
122.09654	0.6
123.11687	0.5
124.07636	1.3
124.11288	0.6
127.03925	2.7
130.05002	1.1
131.08533	0.6
132.06569	9.1
133.06589	0.5
133.10159	1.5
134.09659	1.5
135.08086	0.6
135.11668	0.8
136.07578	2.9
137.05981	0.9
139.11212	0.7
142.08762	0.6
145.02913	0.6
145.10057	0.6
146.08075	0.9
146.09616	0.5
147.04370	1.1
147.11681	0.7
148.07544	0.9
149.09756	0.6
149.13268	1.0
150.09151	2.1
154.08615	1.3
161.09659	0.5
163.14828	0.6
164.10690	1.0
167.14291	1.4
175.14838	1.5
176.10703	0.9
177.05472	1.9
180.10170	0.8
192.10274	0.5
193.15952	1.1
215.06944	0.7
244.20625	0.7
259.09628	0.8
260.20105	4.5
262.21594	0.7
266.21188	1.9
272.20139	3.8
278.21188	3.7
290.21152	7.1
308.22183	10.7
326.23288	12.9
328.24677	0.9
330.28409	0.8
344.24289	18.5
344.28036	2.0
345.24719	0.6
346.25891	1.0
350.23056	0.7
368.24512	0.6
386.25613	0.8
452.26431	1.0
470.27515	1.0
488.28622	3.2
506.29630	100.0
507.29874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	1.7
55.05510	2.5
56.05045	1.3
57.03427	2.0
59.05000	1.0
60.04533	6.0
61.02927	1.3
67.05502	3.1
68.05017	0.6
69.03419	6.8
69.07047	0.7
69.78185	2.0
69.78611	1.1
70.06592	1.5
70.16376	0.6
71.01386	0.6
71.04993	2.1
72.04531	0.9
73.02896	1.6
79.05511	2.7
80.04999	4.1
81.03416	1.6
81.07051	4.0
82.06568	2.0
85.02906	9.8
85.06571	1.4
87.04469	1.4
91.05466	3.2
93.07044	2.6
94.06562	4.8
95.04954	1.5
95.08603	2.9
96.08138	1.3
97.02898	3.8
97.06516	1.7
98.06054	3.6
99.04453	0.8
105.07027	1.5
106.06538	0.6
107.08607	1.4
108.08154	0.7
109.02875	1.3
110.06025	1.7
110.09635	0.6
111.08076	3.5
112.07624	0.7
116.07072	1.1
117.07001	1.1
117.28933	0.5
119.08607	3.4
120.08122	1.2
121.10134	1.2
123.08044	0.8
124.07566	0.7
127.03915	2.4
131.08601	1.2
132.06531	2.9
133.10152	1.1
134.09692	0.6
135.11703	0.6
136.11237	0.8
143.08603	0.8
145.04967	0.7
145.10106	0.9
157.10162	0.7
172.09673	1.2
185.62729	0.5
217.15979	0.7
222.18608	0.8
224.16534	0.9
233.40579	0.6
234.18558	3.9
252.19586	10.8
270.20697	2.1
272.20068	1.0
290.21161	2.5
308.22153	4.4
326.23267	27.6
344.24310	54.6
368.24420	0.7
386.25116	1.0
390.07285	0.6
390.12912	0.6
408.91879	0.7
452.26450	0.6
488.28650	4.1
506.29623	100.0
507.29681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01843	1.8
55.05486	0.5
56.05017	1.0
57.03413	1.5
58.23207	0.5
60.04522	2.7
60.65201	0.5
61.02898	1.3
67.05473	2.2
69.03429	3.7
69.07063	2.6
69.87100	0.5
70.06596	3.7
71.04964	2.4
71.21006	1.3
71.74707	0.6
73.02890	1.0
79.05465	1.4
80.04980	1.7
81.03420	3.4
81.07040	1.8
84.08120	1.4
85.02417	0.9
85.02901	10.6
86.09700	0.9
91.03902	0.8
91.05487	1.4
93.07011	1.1
94.06543	1.7
95.08601	0.9
97.02888	3.2
97.06535	2.6
98.06046	1.0
98.51789	0.5
99.04438	0.7
105.07048	1.0
107.08569	0.6
108.08176	0.6
109.02853	1.5
109.10123	0.8
109.98939	0.6
111.08028	0.7
115.05451	5.0
116.07048	0.9
117.06977	1.1
119.04959	1.0
119.08574	1.3
120.08091	0.6
121.10098	0.8
124.07588	0.6
126.60026	0.6
127.03899	1.8
129.07031	0.9
131.04918	2.2
131.08540	0.6
132.08078	1.4
133.06480	0.8
134.09630	0.7
137.05984	0.6
140.07030	2.2
141.06963	1.1
143.04922	13.4
145.04935	1.0
145.06479	1.0
146.03636	1.0
147.04427	3.0
147.08051	0.7
149.05936	1.6
153.05482	1.0
154.32002	0.5
157.06424	0.7
159.04425	0.7
160.05290	4.6
160.07579	20.7
161.05977	10.3
162.78090	0.6
163.05789	0.5
163.07549	0.8
168.06528	2.2
169.06459	1.4
171.04413	10.5
175.07549	20.9
176.04681	1.4
177.05496	7.0
177.10231	2.3
180.13884	0.6
185.05925	0.7
187.02167	0.5
187.07498	2.3
188.04778	1.1
189.05447	6.2
189.09059	0.8
190.06198	0.8
191.07018	7.5
199.03903	1.0
201.05394	2.9
203.07025	45.6
205.08531	1.3
207.06625	0.7
212.04688	0.9
215.07016	2.2
217.04993	6.7
217.08524	1.2
219.06551	2.1
221.08119	3.4
227.07031	5.2
229.08588	2.8
231.06561	8.3
234.18565	4.1
245.08075	4.6
247.06030	0.9
248.87045	0.6
249.07585	100.0
250.07886	0.6
251.57890	0.7
252.19604	5.3
258.11740	0.6
261.07559	1.7
263.09137	2.9
270.20670	4.4
273.07568	12.5
286.06995	1.0
290.21155	1.9
291.05591	1.0
291.08600	9.0
293.85925	0.6
308.22253	1.9
309.09747	8.3
326.23196	5.0
327.20090	0.7
344.24301	31.4
359.69348	0.6
488.29163	1.4
489.18707	2.0
506.21469	4.1
506.29590	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	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01866	2.3
55.05512	13.6
57.07076	28.2
60.50664	1.1
67.05177	1.6
67.05508	22.9
69.07069	15.6
69.75650	7.3
71.08634	16.0
79.05506	13.1
81.03420	47.2
81.07059	31.9
81.35732	1.2
83.04971	4.3
83.08619	25.2
85.10199	9.2
91.05471	12.3
93.07039	11.7
95.04967	10.7
95.08616	19.8
97.02895	1.3
97.06522	2.0
97.10165	10.1
98.21460	2.5
99.11782	1.4
105.07033	8.0
107.04956	3.4
107.08614	7.0
109.10171	7.5
111.04473	1.2
111.08082	5.2
111.11703	3.4
115.65252	1.2
117.07013	2.1
119.08601	5.9
121.06469	1.5
121.10130	6.1
123.08106	1.3
123.11703	3.3
129.06993	5.8
131.08540	6.0
133.06503	1.7
133.10114	2.9
135.11693	1.7
142.07838	1.4
147.08006	2.2
147.11700	4.1
149.09589	1.8
149.13261	3.5
157.10126	5.5
159.11717	1.7
167.03082	1.4
175.11194	5.3
177.12697	1.9
193.12260	15.2
195.13786	2.0
237.22075	2.5
239.23805	5.0
249.14960	2.9
505.38876	100.0
506.38745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Clethric acid
Peak:m/z	Relative Intensity
53.03938	10.4
55.01857	7.9
55.05522	43.4
57.03427	5.1
67.05175	7.2
67.05507	100.0
69.07061	36.5
70.74122	4.1
71.04989	8.8
71.56830	5.9
79.05492	64.0
81.03416	10.6
81.07059	88.9
83.04984	15.1
83.08633	25.3
85.02910	7.1
90.01002	3.7
91.05476	76.8
93.07049	67.9
94.07357	6.1
95.04955	13.9
95.08066	4.9
95.08621	68.8
97.02923	5.9
97.06562	19.1
97.10171	14.3
99.08124	5.0
105.07039	68.1
107.04949	18.6
107.08596	55.1
109.06506	10.1
109.10153	43.7
110.10441	6.4
111.08095	9.7
117.07026	41.1
119.08575	66.4
119.60567	3.9
121.06495	7.1
121.10155	34.9
123.08051	10.6
123.11694	14.0
125.09639	12.0
128.98659	3.9
129.06996	18.3
131.08571	49.2
133.06474	3.9
133.10135	52.8
135.08043	12.3
135.11694	20.0
137.09624	12.8
141.06941	10.8
143.08563	24.4
144.64409	3.8
145.10121	47.7
147.08018	8.2
147.11697	35.6
148.40793	3.6
149.09584	8.8
149.13246	14.8
151.11211	7.4
155.08537	12.3
155.10576	5.0
157.10165	27.0
159.11696	23.3
161.13240	9.2
163.11142	7.9
165.12794	9.6
167.08575	7.6
169.10097	19.6
171.11714	22.9
173.11870	8.0
173.13205	9.9
174.12099	5.2
175.11151	7.8
183.11691	9.9
185.13254	16.7
187.11272	5.1
193.12260	8.3
195.11673	13.5
197.13272	8.4
209.13434	5.5
223.14883	4.1
233.15538	6.2
235.16974	7.8
257.19012	8.0
259.20596	8.6
263.16360	9.6
263.20160	8.2
275.20071	55.1
277.21753	7.8
291.19510	6.7
293.21140	11.3
301.21753	4.9
313.21332	6.5
315.23273	5.9
327.22821	5.1
352.16406	4.6
415.29727	14.2
423.32596	9.1
433.31012	27.5
443.31931	5.3
451.32074	43.6
459.34387	14.3
469.33203	82.7
470.33640	5.3
487.34265	63.7
505.27557	8.8
505.34818	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2562
Annotation	Millewanin B
Peak:m/z	Relative Intensity
53.03940	3.0
55.01870	3.8
55.05513	12.1
57.03437	10.5
57.07069	1.8
57.10825	0.9
65.03957	1.6
67.05505	51.5
69.07075	6.8
71.56651	1.0
73.02911	1.4
79.05493	29.0
81.03410	4.3
81.06585	1.9
81.07058	29.7
82.03737	1.7
83.04984	2.3
83.08620	4.6
83.62199	1.2
91.05488	19.3
92.05827	1.2
93.07046	24.9
95.04971	2.3
95.08604	24.6
97.06552	1.6
97.10179	1.7
98.98466	30.5
103.04010	1.1
105.07030	13.4
107.08601	16.0
109.06522	2.2
109.10152	19.3
117.07014	3.5
119.08595	11.8
121.10154	9.4
123.11737	3.2
125.09633	1.8
129.05498	11.8
129.06975	2.0
131.08553	6.1
133.10141	7.6
135.08054	1.6
135.11708	3.7
145.10127	4.0
146.02275	1.0
147.11688	7.7
149.09657	1.5
149.13260	3.0
155.01088	6.6
155.07040	1.2
157.10153	1.6
159.11716	3.3
161.13217	5.2
171.11682	1.6
173.02066	5.5
173.11716	4.8
173.13177	2.1
175.14822	2.0
185.13260	1.9
193.12158	2.7
211.13293	4.4
212.13663	3.5
217.19550	2.1
220.87407	1.2
226.15349	1.6
229.14336	6.3
231.21100	3.1
241.19508	5.6
259.20618	9.0
315.23239	1.5
333.24237	100.0
487.33774	1.5
505.27594	21.1
505.33792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
55.01857	9.7
55.05513	32.0
57.03423	7.2
67.05173	4.8
67.05507	65.0
69.03416	4.7
69.07069	33.8
69.30984	3.0
71.05013	5.3
74.51266	3.0
79.05492	55.4
81.03435	5.6
81.07059	91.9
83.04978	6.7
83.08626	18.9
85.06544	4.4
85.54617	2.6
91.05483	61.2
91.54493	2.7
93.07048	69.2
95.04994	14.6
95.08619	45.6
97.06528	10.3
97.10160	7.8
99.08088	3.8
101.53600	2.9
105.07031	63.6
107.04935	10.6
107.08598	38.5
109.06512	12.6
109.10160	29.7
111.08089	5.6
113.09676	3.6
117.07032	21.1
119.08591	52.3
121.06503	10.6
121.10155	25.8
123.08021	7.8
123.11691	12.0
125.09595	8.4
126.61406	2.8
128.06255	3.2
129.06982	12.8
131.08575	29.1
133.06493	2.9
133.10139	44.0
135.08023	9.7
135.11720	15.1
137.09645	5.9
141.06987	3.7
143.08566	14.6
145.10123	23.1
147.11688	34.5
149.09592	9.6
149.13234	10.9
151.11177	5.5
155.08553	11.3
157.10121	10.8
159.11716	24.2
161.09592	4.5
161.13330	3.4
163.11041	6.1
165.12755	6.7
169.10104	12.5
171.11650	15.9
173.09534	3.3
173.13271	10.1
175.11168	6.5
181.10138	4.6
183.11667	10.6
185.13295	6.5
187.14842	4.9
189.11249	4.8
193.12405	4.6
195.11810	4.3
195.13795	8.3
197.13235	5.3
199.14793	4.2
207.13760	3.7
229.19504	3.4
235.16951	11.6
239.17970	9.0
257.19104	13.2
263.16333	5.8
273.18491	5.5
275.20071	100.0
277.21689	6.5
293.21161	21.3
315.00626	3.2
315.62064	3.0
407.04929	3.0
415.29410	5.3
423.32443	4.5
433.31021	14.1
451.32004	14.5
469.33298	44.2
487.34122	37.2
505.28125	5.5
505.35040	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	504.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13467	2.3
53.03937	2.9
55.01862	5.8
55.05510	36.1
57.03436	6.5
59.04991	4.5
61.02924	3.0
65.03970	2.6
67.05505	100.0
68.99740	2.2
69.03442	5.7
69.07066	14.8
69.34438	21.2
71.04996	6.8
73.02919	4.3
79.05494	48.3
81.03423	23.7
81.07061	54.8
83.04987	15.7
83.08628	20.3
85.02879	11.4
85.06536	5.5
86.09707	5.5
91.03971	2.4
91.05484	41.4
93.07042	53.8
95.04965	14.6
95.08613	39.8
96.31428	2.5
97.02885	4.8
97.06522	8.3
97.10173	17.1
99.08075	3.4
104.10731	10.6
105.07034	25.1
107.04949	4.1
107.08589	31.6
109.06532	4.8
109.10155	64.6
111.08060	8.8
117.07020	7.7
119.08583	27.7
121.10142	30.5
123.08096	3.1
123.11700	6.6
124.99997	2.5
125.09635	19.0
127.07674	2.4
129.06998	8.7
131.08556	19.9
133.10136	28.6
135.11703	24.0
135.40056	2.4
136.06177	2.5
137.09621	5.6
142.07764	3.3
143.08543	2.8
145.10103	15.1
147.08012	4.4
147.11674	16.8
149.09636	3.7
149.13231	9.9
155.10689	10.6
157.10124	9.4
159.11708	8.4
163.11168	8.7
165.12741	6.0
172.27919	2.6
173.11769	49.3
173.13278	6.9
175.11201	8.1
177.52821	2.3
181.12289	4.0
184.07339	8.7
187.14922	2.9
191.10628	5.2
193.12286	31.3
205.19656	2.9
211.13275	20.1
215.17958	25.1
225.14922	3.5
227.12766	3.1
233.19003	36.8
307.22662	17.3
325.23737	7.5
349.16779	5.8
350.17242	4.4
367.49606	2.6
469.27628	3.8
504.29288	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05501	0.7
56.96563	2.3
57.03434	1.1
59.23860	0.5
60.04528	1.3
61.02915	1.7
64.45091	0.5
67.05515	0.8
67.66442	0.5
69.03437	5.3
70.06586	2.2
70.74261	1.6
71.01393	0.5
71.04988	1.6
72.08144	1.9
73.02918	1.7
79.05486	1.2
80.05039	0.7
81.03427	1.4
81.07062	0.8
84.04495	1.1
84.08130	0.5
85.02906	4.6
86.06094	0.5
86.09702	2.0
87.04485	1.8
91.05479	8.0
93.07036	0.8
95.04958	0.7
95.08606	0.9
96.08192	0.6
97.02917	2.5
97.06542	0.8
98.06042	0.6
98.97588	2.0
99.04440	1.0
102.25773	0.5
104.26340	0.5
105.06997	0.9
110.09691	0.9
111.08098	2.2
113.47819	0.6
114.85464	0.6
116.07065	0.6
116.98617	0.8
119.04944	12.2
120.05279	1.2
120.08096	0.9
124.99101	1.0
127.03954	0.8
129.10304	0.8
131.08566	0.7
134.44530	0.5
143.00197	1.7
146.99637	0.6
147.04420	38.7
148.04741	3.5
158.99562	0.9
163.07579	1.2
167.07133	0.7
170.99701	0.7
189.00748	0.6
195.10257	1.1
210.38867	0.6
219.01740	1.0
220.17044	0.7
237.02844	0.9
239.02246	2.1
242.14006	1.1
250.18108	0.7
257.03424	1.2
306.20966	0.8
324.21765	4.1
331.10730	2.0
342.22748	21.7
349.11572	1.2
413.07632	0.8
463.09082	2.1
468.25864	0.7
486.27133	1.0
504.28067	100.0
505.28329	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01867	1.1
55.05511	5.2
55.60719	0.7
57.03435	1.2
59.05003	1.1
60.04518	2.0
61.02913	0.9
67.05504	2.8
69.03430	8.2
69.07063	3.6
70.06590	2.3
70.84480	1.7
71.04999	1.5
71.08639	7.7
72.08149	3.1
73.02930	1.6
78.05703	0.8
79.05479	2.4
81.03414	3.3
81.07059	8.6
83.04982	4.9
83.07349	1.0
83.08636	1.2
84.04517	1.3
84.08151	1.8
85.02905	12.3
86.06068	16.2
86.09725	1.0
87.00818	2.3
87.04498	1.2
91.03951	1.1
91.05466	3.1
93.07043	3.6
95.04951	1.2
95.08601	5.6
96.08126	6.2
97.02899	6.0
97.06519	4.7
98.06061	1.0
98.09697	8.4
99.04455	2.2
99.08096	8.5
101.06037	4.6
105.01884	3.1
105.07029	4.0
107.04948	1.0
107.08595	2.4
108.08110	2.3
109.02877	2.6
109.06515	0.9
109.10162	3.6
110.09676	1.4
111.04451	7.6
114.09153	1.0
116.10739	31.6
119.08554	5.7
120.08101	1.2
121.06545	0.9
121.10153	3.1
122.09660	2.6
123.11716	1.9
126.56550	0.9
127.03935	5.3
129.05479	3.2
133.10152	3.7
135.11743	2.2
137.05989	3.0
142.08623	7.8
142.12288	0.9
143.10669	3.2
145.04970	2.9
145.10115	1.1
147.04414	1.5
147.06528	1.4
147.11690	4.7
149.13223	1.2
154.15924	2.5
155.07016	2.6
161.13362	1.1
163.03999	1.1
164.10754	3.6
166.15945	2.4
173.08125	1.8
177.16406	1.0
180.13878	1.2
182.15408	3.0
184.13268	0.9
190.12282	2.2
196.17007	6.1
198.14966	1.4
203.17947	9.3
205.61290	0.9
208.13380	4.5
214.18025	100.0
221.19000	8.1
226.14381	23.6
228.41820	0.8
231.04964	1.2
244.15468	80.6
249.06071	1.3
261.13354	2.0
267.07950	1.3
291.10373	0.9
301.06006	0.9
324.21671	1.2
328.27045	1.4
342.22781	18.0
346.25882	1.2
376.23257	9.0
388.19519	2.2
399.93066	1.0
406.15710	1.3
406.20761	16.4
480.61035	0.9
486.26886	1.4
504.27878	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01862	1.7
55.05519	13.7
56.96548	3.2
57.03429	1.9
57.07065	3.3
67.05180	3.2
67.05514	37.6
69.03426	3.8
69.07069	21.4
70.06599	2.5
70.75625	3.8
70.75959	2.9
79.05495	17.1
81.03412	2.7
81.07066	67.7
82.60300	1.5
83.04968	2.1
83.08613	7.2
85.02914	8.7
85.06535	4.3
87.00840	3.8
87.04470	4.2
91.03947	1.9
91.05479	29.0
93.07051	66.9
95.04976	2.4
95.08613	92.1
97.02893	5.4
97.06506	2.3
97.10190	3.7
98.97580	1.7
99.04442	2.9
103.97250	1.7
105.01855	7.7
105.07044	70.0
107.08602	67.4
109.02895	2.5
109.06538	1.7
109.10163	89.9
111.04445	1.7
111.08092	3.5
117.06996	3.2
119.08589	57.3
121.09304	3.1
121.10152	37.2
123.11716	16.4
124.98121	1.6
127.03932	6.2
132.08116	2.2
133.10144	34.4
135.11696	47.7
145.04955	5.8
145.10150	4.8
147.04430	2.9
147.11700	72.0
149.13329	2.0
159.11674	3.1
161.13246	22.6
163.14824	4.1
165.12718	3.3
175.14847	9.0
177.16406	2.3
203.17970	100.0
221.19022	8.6
231.05058	4.9
249.06261	1.7
250.09706	3.5
374.16098	2.1
445.87344	1.6
469.67697	1.7
504.18481	2.0
504.29721	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01860	2.0
55.05516	3.1
56.05031	1.1
57.03434	2.5
59.04995	0.6
60.04525	12.6
61.02916	0.6
67.05503	4.0
67.05843	0.6
68.05016	1.4
69.03426	3.2
69.07047	0.6
69.32181	3.8
70.06583	1.7
71.01353	0.4
71.04979	0.9
72.04517	1.7
73.02924	2.0
77.36423	0.4
79.05490	4.3
80.05012	4.9
81.03384	0.5
81.07057	3.8
82.06567	1.9
83.04971	1.0
84.04494	0.6
84.08145	0.5
85.02901	4.7
85.06525	2.2
87.04456	1.0
90.05556	0.8
90.42911	0.4
91.05474	3.6
93.07039	3.2
94.06562	5.1
95.04958	0.9
95.08606	2.3
96.04501	1.0
96.08130	0.5
97.02889	6.6
97.06538	1.5
98.06050	2.5
101.02381	1.4
101.05972	0.5
105.07031	1.8
106.06556	0.8
107.08596	1.7
108.08072	0.5
110.06057	2.1
110.09609	0.5
111.08073	2.9
113.02362	1.9
114.05526	0.7
115.03929	1.6
115.04657	0.5
116.07093	0.6
117.07008	0.9
119.08572	2.1
120.08103	1.7
121.10118	1.8
124.07586	0.6
125.02306	0.7
128.07083	1.1
129.07018	0.7
131.08598	1.3
132.05579	0.6
132.06560	5.8
132.08055	0.6
133.10172	1.1
134.09634	1.4
135.11685	0.8
136.11179	0.7
137.09653	0.6
138.09143	0.5
143.03427	1.0
143.08577	0.7
145.10130	1.1
146.09695	0.7
148.40918	0.4
151.11252	0.6
157.10190	0.7
158.08156	0.9
161.04411	0.5
172.09669	1.9
174.12756	0.7
222.18581	1.0
223.09169	0.4
234.18558	1.5
252.19627	4.2
260.20126	0.9
260.94498	0.5
262.18161	0.7
262.21594	0.5
270.20633	0.8
272.20184	1.2
278.21341	0.4
280.19070	0.7
290.21140	2.5
298.20224	2.1
308.22226	2.9
326.23273	16.1
344.24295	18.5
345.24695	0.7
354.22815	1.1
372.23883	3.1
386.25354	0.5
402.25635	0.4
486.26993	1.4
504.28043	100.0
505.28290	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	503.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01870	2.0
55.05515	33.2
57.03433	1.6
57.06822	0.9
57.07081	11.5
57.97710	0.5
65.03947	1.1
67.05171	0.8
67.05512	12.8
69.03446	1.2
69.07075	31.4
70.70677	0.5
70.86747	1.1
71.05001	0.6
71.08638	7.7
79.05500	10.1
81.03424	67.9
81.07059	9.8
82.22820	0.5
83.04990	2.8
83.08627	39.0
85.10193	2.4
91.05485	16.5
93.07058	6.4
95.04979	19.8
95.08611	3.4
97.02917	1.8
97.06541	0.9
97.10177	22.7
105.07037	9.8
107.04961	4.3
107.08596	2.2
109.06541	2.2
109.10155	1.5
111.04462	1.3
111.08095	5.9
111.11724	8.0
111.95481	0.5
114.96231	0.5
115.05471	1.3
117.06998	1.2
119.04933	1.1
119.08596	8.9
121.06506	2.3
121.10142	3.2
123.08076	1.3
125.09654	0.6
125.13273	2.6
129.07027	8.8
129.07916	0.8
131.08565	6.3
133.06476	2.5
133.10149	2.6
135.08115	0.6
137.09673	0.9
142.07809	1.9
145.10135	1.2
147.08093	2.4
147.11685	4.2
149.09644	3.5
157.10139	7.1
165.12779	1.4
175.11189	7.2
193.12259	28.8
231.14020	0.7
237.22186	1.3
249.14871	6.6
259.24271	0.5
420.37216	0.6
503.37366	100.0
504.37595	1.5
524.62219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
51.75135	1.6
53.03931	3.0
55.01852	2.0
55.05512	8.3
57.07075	3.5
60.91615	1.4
61.02908	1.8
65.72911	1.8
67.05502	14.2
67.79763	1.9
69.03429	4.2
69.07069	8.9
70.06615	2.9
71.01017	1.6
71.01345	2.8
71.04990	4.0
79.05505	14.4
81.03405	3.1
81.07059	31.9
83.04980	4.2
83.08623	5.1
84.08176	2.6
85.02913	4.8
85.06551	2.5
86.09722	2.4
89.03890	2.0
91.05481	20.0
93.07043	30.9
95.04989	4.4
95.08614	40.1
97.02926	2.5
97.06542	9.5
97.10165	1.6
99.04482	2.1
105.07040	54.7
107.04926	1.8
107.08598	38.0
109.06511	9.2
109.10155	22.0
110.09693	3.2
111.08087	7.4
115.05432	2.5
117.03367	2.2
117.07055	8.1
119.04950	2.2
119.08584	53.9
120.08117	1.9
121.06530	8.4
121.10149	34.2
123.08077	14.1
123.11707	9.6
125.09631	3.3
127.03964	2.2
129.07021	4.6
130.07787	2.3
131.08571	34.2
133.06488	1.9
133.10143	50.6
135.08069	10.5
135.11711	12.9
137.06004	6.0
137.09615	5.5
137.13269	1.9
142.07803	3.7
143.08566	12.9
145.02821	11.0
145.10127	51.0
147.04439	6.3
147.08057	7.1
147.11694	33.9
149.06032	2.7
149.09608	4.7
149.13284	12.9
153.09100	2.6
155.08612	3.6
156.09355	3.7
157.10146	19.0
158.10944	2.7
159.08057	3.6
159.11702	37.0
161.09615	14.7
161.13258	19.4
163.11183	6.3
163.14851	6.5
169.10152	6.1
170.10860	2.7
171.11697	15.5
172.12463	2.0
173.09686	6.0
173.13281	50.3
175.11197	13.7
175.14824	31.3
177.05501	9.2
177.12753	2.7
177.16393	6.6
182.10966	2.7
183.11722	6.7
185.13254	14.9
187.11227	5.5
187.14816	25.8
189.12744	17.2
189.16429	9.6
191.14348	12.7
197.13271	9.2
199.14801	16.8
201.12866	3.8
201.16460	14.2
203.14302	11.5
203.18024	2.7
205.12364	2.1
205.15814	3.5
207.13857	5.0
211.14841	5.7
213.12856	2.7
213.16420	7.8
215.14307	8.1
215.17981	2.8
217.15953	8.9
219.13770	4.6
219.17461	2.9
221.15340	8.5
225.16327	3.8
227.14102	1.9
227.17935	3.7
229.15912	9.4
231.17455	5.4
233.15395	6.8
233.18962	1.8
235.14864	1.9
235.17001	5.4
237.18571	2.6
247.16954	12.9
261.18591	2.8
265.17859	10.6
269.18915	2.0
275.20142	2.9
293.21170	2.9
311.12872	3.1
327.26483	16.2
375.30414	4.9
385.28897	2.1
391.29947	6.1
393.31738	7.2
403.30023	14.0
409.30954	6.0
421.31073	41.7
423.32639	4.6
431.29388	3.6
439.32092	100.0
441.33481	3.7
449.30450	17.8
457.33215	47.6
459.25845	1.8
467.24948	3.0
467.31577	41.2
485.32697	9.2
503.17538	3.1
503.24545	46.8
503.31174	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18515	1.8
53.61203	1.8
55.01860	2.5
55.05497	7.3
56.96550	3.3
57.07079	3.4
61.06574	1.7
63.32175	1.8
67.05508	12.4
69.03421	6.7
69.07079	14.1
69.42853	4.7
69.43259	12.1
70.06579	2.9
71.04986	4.2
71.61701	1.9
73.02935	2.1
76.95267	1.9
79.05501	12.6
81.03416	4.4
81.07064	32.5
83.04954	1.9
83.08624	4.3
85.02908	7.8
85.06539	2.7
86.09705	2.2
91.05485	20.1
93.06552	2.5
93.07056	29.4
94.88122	1.9
95.04971	4.5
95.08049	2.5
95.08614	31.9
97.02837	1.8
97.06533	7.9
97.08916	2.1
98.97582	4.9
103.05491	2.1
105.07043	53.6
107.08609	29.6
109.02898	2.1
109.06515	7.8
109.10181	14.7
110.18046	2.1
111.08086	5.7
117.03407	2.9
117.07060	8.6
119.08591	52.7
121.06484	15.3
121.10149	29.5
123.08099	10.8
123.11696	7.5
125.09634	2.5
127.03777	6.2
128.06177	1.7
129.07004	5.1
130.05003	2.0
131.08568	36.9
133.06410	2.8
133.10144	37.6
135.08057	6.8
135.11713	11.2
137.05943	3.3
137.09598	6.5
141.07008	2.8
143.08578	13.5
144.09392	3.2
145.02861	7.1
145.10130	50.4
147.04422	4.9
147.08061	10.2
147.11688	30.8
149.01198	2.4
149.09625	5.7
149.13240	11.0
155.08546	4.2
156.09338	4.5
157.10120	17.3
158.07079	2.1
158.72539	2.2
159.08093	4.3
159.11687	32.8
161.09644	14.6
161.13271	22.7
163.11189	5.3
163.14772	4.4
169.10162	6.5
170.10835	2.0
171.11694	17.3
173.09706	2.8
173.13293	45.1
175.11258	12.2
175.14848	34.9
177.05438	9.4
177.12775	3.2
177.16411	6.6
183.11696	8.0
185.13260	19.5
187.11165	5.0
187.14825	23.0
189.12778	19.0
189.16328	9.7
191.14334	18.3
191.17958	2.0
192.11237	1.7
193.16003	2.2
197.13263	8.1
199.14789	14.2
201.12732	5.5
201.16397	12.6
203.14322	6.4
203.18036	4.2
205.15828	2.2
207.13779	19.5
209.13370	1.8
211.14899	4.4
213.16428	5.8
215.14276	9.1
215.17810	2.3
217.15816	9.4
219.13780	4.2
219.17505	12.4
221.15401	11.8
225.16705	2.1
227.17989	2.9
229.15825	5.4
229.19493	1.8
231.17349	3.6
233.15422	3.5
237.18542	5.0
243.17691	2.4
245.06265	3.0
247.16982	13.0
253.22498	1.9
257.18942	2.6
259.11969	1.9
261.18478	3.2
265.17929	3.4
271.04272	2.2
275.19980	2.9
285.10303	2.1
327.26495	14.8
331.12204	2.7
331.16013	1.9
331.62436	3.1
353.24576	2.3
379.30255	2.7
391.29907	7.8
393.31287	3.6
397.30975	5.3
403.29953	7.4
409.31052	17.9
411.32245	2.3
417.20923	5.4
419.29422	5.7
421.31039	31.5
423.32513	5.5
427.32248	6.8
437.30405	6.7
439.32175	45.8
441.33572	5.7
449.30661	11.0
455.31516	4.6
457.33188	31.1
459.21967	23.8
467.31540	27.2
485.25885	1.8
485.32684	13.9
503.20056	62.7
503.24582	100.0
503.31772	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	503.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
60.04528	1.1
69.53174	3.4
70.41582	0.4
76.40759	0.4
80.05009	0.6
82.06591	0.7
84.08141	0.6
85.06142	0.5
89.03919	4.3
91.05444	0.6
94.06558	1.9
96.08134	1.1
97.08903	2.5
103.90292	0.5
110.09698	3.2
117.03385	17.9
134.03619	0.9
135.04425	0.8
138.12813	0.6
145.02849	58.9
149.05978	6.3
163.03860	0.6
165.66197	0.4
171.82127	0.5
176.14339	0.9
177.05470	65.4
178.15990	1.0
181.49675	0.5
186.05498	1.0
208.20615	0.9
223.21758	1.4
238.21703	1.9
250.21706	2.0
253.22734	4.8
261.23267	3.7
268.22702	0.7
273.23254	1.8
279.24326	0.6
291.24213	0.7
309.25412	1.2
325.24756	0.6
327.26419	100.0
328.26816	1.2
353.24362	0.7
471.28815	0.6
485.30005	3.5
503.31158	89.4
504.31628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05486	0.9
55.91416	0.6
56.96565	9.0
60.01683	0.4
60.66139	0.4
61.92120	0.4
67.05496	1.1
69.03397	1.0
69.07050	0.7
71.04930	0.5
71.57253	0.5
73.75661	0.5
74.57397	0.5
76.40876	0.4
79.05475	0.7
81.07027	1.9
83.08614	0.6
84.96011	0.8
85.02876	0.8
91.05440	0.7
93.07017	1.2
95.04974	0.4
95.08575	0.5
97.02897	0.7
97.06488	0.8
98.96953	0.6
98.97580	11.6
100.99097	0.9
105.01839	0.7
105.07031	2.6
107.08537	1.3
109.02810	0.6
109.10145	1.0
110.97536	1.4
112.99134	7.3
116.98598	2.8
117.03347	0.6
119.08537	1.7
121.10134	0.9
124.99092	0.9
127.03748	1.3
128.98590	1.0
130.05022	0.8
130.99214	0.6
131.00169	11.4
133.10028	0.6
135.07991	0.7
137.05972	1.0
137.09462	0.7
140.98463	0.7
141.02100	0.6
143.00099	1.9
145.02795	1.9
145.04872	0.5
145.10086	1.3
146.10410	0.6
147.04326	0.9
147.11656	0.7
149.00143	0.5
149.01222	8.8
149.05971	0.4
152.98547	0.4
158.98497	0.5
158.99666	6.3
159.03198	0.5
159.11674	0.6
161.01126	0.7
161.13184	1.6
162.13599	0.9
165.09088	3.7
167.02229	1.2
170.99643	1.3
171.03181	0.6
172.02762	0.6
173.01091	1.3
173.13237	0.7
177.00697	3.4
177.05373	1.8
185.01112	0.6
191.02257	2.6
199.02666	1.4
202.16653	0.8
203.02180	1.3
203.05310	0.5
217.03711	1.6
219.01529	0.6
223.09978	1.9
227.02307	1.1
233.03194	1.2
241.11108	17.0
245.06190	0.8
249.07759	0.5
251.04256	0.6
255.15492	0.5
259.12180	11.8
264.12512	0.7
267.09036	4.3
281.10504	0.6
285.07208	0.8
285.10092	10.5
289.05075	1.7
290.10498	0.6
293.05435	4.1
303.11166	3.8
309.10117	1.1
311.06244	1.8
311.12216	0.8
323.11880	0.9
327.10886	1.5
327.26416	2.5
341.12820	3.7
342.54248	0.5
349.16693	0.6
355.17068	1.2
359.13513	1.1
399.16235	2.5
417.20837	0.7
459.21829	4.1
503.17975	100.0
504.18286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81816	0.7
53.03947	0.8
55.01848	1.1
55.05504	1.5
67.05493	3.0
69.03447	3.7
69.03773	0.6
69.07056	2.0
70.06577	1.7
71.01336	0.6
71.04995	0.9
71.56824	0.7
72.08140	0.7
73.02899	1.2
79.05497	3.0
79.11436	0.7
81.03410	2.3
81.07066	3.8
83.08614	1.2
84.08140	1.1
85.02920	4.6
87.00854	0.9
91.05481	2.1
93.07052	3.0
94.17676	0.6
95.04979	1.6
95.08612	2.7
97.02885	2.0
97.06530	3.2
97.08899	0.7
98.97588	1.4
104.00859	0.6
105.07031	3.2
106.07285	0.8
107.08607	2.5
109.02892	1.4
109.06518	0.7
109.10172	3.5
110.09663	1.1
111.04406	0.9
114.09094	0.8
115.05460	0.7
117.07017	1.0
119.04902	0.7
119.08586	2.1
121.06503	0.8
121.10161	2.5
122.03618	0.7
123.04428	0.7
123.08067	0.8
123.11725	0.9
127.03913	1.9
129.07043	0.8
130.04987	2.6
131.08578	2.1
133.10152	1.5
135.08092	0.7
135.11722	0.7
137.05963	5.6
141.07051	0.9
145.02829	3.8
145.05000	0.8
145.10150	2.3
147.04422	2.3
147.11739	1.4
150.68060	0.7
153.01900	1.0
157.03528	0.7
157.10077	0.8
159.11736	1.5
159.13350	0.7
160.09746	1.2
161.09639	0.8
163.03946	0.7
165.16417	0.7
173.13397	0.7
175.07576	1.3
177.05490	3.4
189.06111	1.5
201.16315	1.4
227.05275	1.4
231.06979	0.6
237.18571	0.9
255.06549	14.2
255.15704	2.2
255.19609	1.2
259.09879	0.8
311.12805	1.5
323.12704	1.0
327.26413	4.5
328.25388	0.7
329.15652	4.5
349.63098	0.7
353.14804	0.7
355.15558	1.0
371.16788	10.0
406.51181	0.9
415.15924	2.7
417.21014	3.1
425.15897	1.1
459.22076	13.0
503.20984	100.0
503.31256	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	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.71971	0.8
55.01855	1.1
55.05459	0.8
57.03428	1.7
61.02923	1.7
65.03977	0.9
67.05502	0.9
69.03448	5.0
69.07060	1.3
70.06586	4.1
70.77974	0.7
71.57185	0.8
72.08151	1.5
73.02921	0.9
79.05492	1.6
81.03410	2.4
81.07052	2.0
83.08639	0.7
84.04527	0.8
84.08134	1.7
85.02905	12.1
86.09705	4.4
91.05473	4.2
94.04183	3.8
97.02901	4.2
97.06553	0.9
97.08949	1.0
98.97580	2.5
103.05473	3.6
104.77608	0.8
105.07066	4.4
107.04971	1.2
107.08593	1.1
108.87547	0.8
109.02926	1.1
109.06502	1.3
110.09696	1.2
115.05463	4.1
117.07032	1.6
119.08588	3.0
121.10122	1.3
122.03644	7.0
127.03938	1.9
128.06232	1.9
129.06953	1.3
131.04922	3.8
132.05750	2.0
133.06483	3.6
137.05984	100.0
141.06953	1.1
143.04854	1.0
145.02844	3.2
145.05013	1.4
147.04437	2.7
147.08080	2.3
149.05978	1.4
159.08057	2.0
160.05220	2.2
161.05991	11.3
163.03946	0.9
163.07561	5.4
172.05260	1.3
173.01346	0.7
175.06033	1.9
175.07559	35.2
177.05490	3.8
179.07074	1.1
187.07530	6.6
190.07845	1.7
191.08548	6.0
199.07600	10.5
202.07822	2.5
203.08559	4.0
205.06407	1.0
207.08118	0.9
218.07327	1.4
219.08090	8.0
220.08897	2.0
223.21704	1.0
231.08069	7.7
232.08868	1.5
233.44864	0.9
235.07460	0.8
235.11169	0.9
236.08281	1.9
243.08707	1.1
243.13268	1.0
246.14902	1.5
246.65129	1.7
247.07600	3.7
248.08409	4.4
249.09137	1.0
251.10675	10.8
253.22845	1.2
259.07611	4.5
260.08286	2.1
261.08844	1.1
263.10709	3.1
264.07874	1.5
267.10757	2.9
276.07864	1.6
277.08621	2.3
279.10168	8.5
280.10962	1.4
281.08020	1.6
285.11896	1.4
291.10138	12.0
292.10904	2.9
295.13235	1.5
296.10461	1.6
309.11792	2.3
311.12796	28.8
323.08893	1.0
323.12747	19.0
324.11414	1.3
327.26453	3.6
464.53662	0.9
485.19736	10.7
499.67102	0.8
503.20984	20.4
503.31512	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01857	0.9
56.31282	0.8
57.03421	1.8
60.04522	1.5
61.02908	2.3
66.04730	0.8
67.05489	0.9
67.08175	0.6
69.03075	0.8
69.03429	7.4
69.88394	3.8
71.04989	0.6
73.02917	1.2
73.75780	0.7
79.05492	1.8
80.05020	0.6
81.03405	2.6
81.07065	1.7
84.08176	0.7
85.02905	13.6
87.04470	0.8
89.03900	4.0
91.03971	0.8
91.05504	4.4
94.04176	2.9
97.02894	6.0
97.08933	1.7
99.04440	1.1
103.05460	4.1
104.06207	0.7
105.07018	3.2
107.04936	0.7
109.02878	2.3
109.06507	3.0
110.09666	2.0
115.05453	2.0
117.03368	13.8
117.07036	1.5
119.04929	0.8
119.08572	2.8
122.03648	7.4
127.03929	2.4
128.06201	2.4
129.07001	2.2
131.04947	5.1
132.05717	2.7
133.06483	2.9
137.05980	100.0
141.06999	1.7
145.02849	50.6
145.04834	1.9
146.03613	0.8
147.04424	1.2
147.08037	2.6
149.05997	6.1
151.07477	0.9
159.08043	1.2
160.05180	2.1
161.05986	13.3
163.03871	1.0
163.07550	8.7
167.06964	0.9
169.06444	0.9
171.08081	1.4
173.84775	0.7
175.07550	38.5
177.05469	47.4
178.15981	1.4
184.05222	1.6
187.07521	5.9
189.07024	0.7
189.09134	1.5
190.07718	0.9
191.08582	5.1
193.58443	0.7
199.07545	14.5
201.09070	1.3
202.07730	4.1
203.08569	6.3
205.06427	0.9
208.20671	0.7
217.06741	0.7
217.08630	0.8
218.07341	1.5
219.08049	7.4
220.08853	2.8
223.21680	1.5
231.08008	9.4
232.08633	1.4
235.07655	0.8
236.20071	1.4
238.21851	1.2
247.07474	4.4
248.08395	3.6
249.09120	1.5
250.21660	1.2
251.10725	8.7
253.22881	4.0
259.07535	6.8
260.08316	1.9
261.08945	1.0
261.23236	3.6
263.10641	5.4
264.07874	1.0
265.08618	1.2
273.23367	1.9
276.07864	3.0
277.08664	2.6
279.10159	9.4
291.10150	13.6
291.24435	1.0
292.10886	3.3
293.08139	1.5
295.13199	1.2
296.10529	1.1
308.10425	0.8
311.12769	22.1
323.12759	24.0
325.14441	2.6
327.26425	78.1
335.12799	0.9
397.19464	0.7
433.81821	0.9
455.24274	1.1
467.17941	0.7
467.24777	2.1
485.24997	1.2
485.30203	2.3
503.19220	2.5
503.31183	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
53.21645	1.0
55.01872	1.8
57.03439	2.5
60.04536	1.8
61.02927	3.4
67.05489	2.1
69.03439	7.6
69.07073	1.2
69.48514	7.8
70.06584	2.3
79.05510	2.7
81.03418	3.0
81.07063	3.0
85.02915	16.5
89.03916	5.8
91.05486	5.9
93.07033	1.8
94.04196	3.8
94.06554	1.2
96.08167	1.5
97.02895	7.0
97.06530	1.0
97.08909	3.1
103.05474	3.2
105.07043	4.8
107.04977	2.2
107.08636	1.7
109.02898	2.6
109.06512	1.4
110.09696	3.2
115.05442	2.9
117.03389	20.6
117.07021	2.2
119.04911	1.6
119.08566	3.3
119.81690	0.9
120.08121	1.1
122.03632	7.5
127.03934	3.4
128.06212	1.6
129.07028	2.6
129.41397	1.1
131.04947	4.4
132.05714	4.0
133.06502	2.7
133.10187	1.5
137.05988	99.6
145.02859	62.0
145.04779	2.1
146.03650	1.5
147.04448	3.1
147.08072	4.0
149.06021	6.1
159.08060	1.4
160.05217	1.9
161.05994	15.1
161.07242	1.4
163.03957	1.3
163.07547	11.2
169.06543	1.3
175.07564	50.3
177.05481	62.8
184.05246	2.3
187.07568	6.8
189.07053	1.2
190.07834	3.1
191.08566	5.5
199.07574	9.5
201.09227	1.3
202.07840	3.3
203.08563	8.4
218.07344	1.4
219.08072	10.4
220.08960	3.5
230.07300	1.9
231.08044	9.8
236.08432	2.4
237.18575	1.4
238.21793	1.3
247.07567	5.4
248.08330	5.4
249.09225	2.3
250.21736	1.8
251.10707	14.7
253.22743	5.0
258.06915	1.8
259.07550	7.3
260.08472	2.9
261.09341	1.4
261.23315	3.4
263.10760	4.4
264.07941	1.5
265.08737	1.7
268.22495	1.2
273.23288	1.7
276.07928	4.2
277.08588	2.5
279.10178	14.1
280.11136	1.0
286.09567	1.0
291.10193	16.6
292.10980	2.4
293.08087	1.5
296.10532	2.3
308.10498	1.9
311.12811	30.4
323.12781	32.0
325.14328	2.2
327.26434	98.2
341.13678	1.3
377.54443	1.2
431.18799	1.5
485.30173	4.1
503.19876	3.8
503.31232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97400	0.4
55.05500	0.7
56.96290	0.6
56.96564	10.2
57.03435	0.3
59.58094	0.3
62.69584	0.3
67.05489	0.6
69.03423	0.5
69.07061	0.6
71.56958	0.5
71.95250	0.9
72.74399	0.3
72.96027	0.8
79.05489	0.5
81.07059	0.6
83.08626	0.5
84.08172	0.3
84.96017	0.6
85.02892	0.6
91.05491	0.4
93.07056	0.8
95.04980	0.4
95.08589	1.0
97.02898	0.4
97.06541	0.6
98.97586	14.3
100.11262	0.3
100.99150	0.7
105.01894	0.4
105.07072	0.4
107.08579	0.4
109.02901	0.6
110.66954	0.3
110.97569	1.6
112.99135	9.9
116.98625	3.8
117.03363	0.3
119.08560	0.4
121.10130	0.5
123.11715	0.5
124.99142	1.2
127.03928	0.4
128.98621	1.3
130.99187	0.5
131.00168	10.8
134.99667	0.4
137.02696	0.4
138.03032	0.3
140.98625	0.8
141.02277	0.4
143.00142	2.1
145.02876	1.1
147.04437	0.4
149.01231	7.6
152.98682	0.4
154.01813	0.6
158.99655	5.7
159.03259	0.5
159.11736	0.3
161.01204	1.0
167.02295	0.8
167.03769	0.4
170.99660	1.0
171.03366	0.6
172.02802	0.6
173.01253	1.9
175.07574	0.5
177.00693	3.5
177.05522	1.1
185.01262	1.1
189.00658	0.5
191.02260	1.9
199.02765	1.9
200.02292	0.4
201.00777	0.4
203.02274	1.5
209.01247	0.5
211.06447	0.5
215.02295	0.5
217.03864	1.8
219.01788	0.8
219.17465	0.6
223.09995	2.7
227.02237	1.0
233.03409	1.0
237.08063	0.4
241.11115	19.2
242.11737	0.5
249.08049	0.8
252.09572	0.3
259.09406	0.6
259.12189	13.2
264.12814	1.1
267.09039	5.4
267.12119	0.5
275.04547	0.7
279.44983	0.3
281.10712	0.9
285.10101	11.1
293.05438	3.6
303.11151	4.0
308.11612	0.6
309.09885	0.4
311.06488	1.4
311.12033	0.5
323.11737	0.6
327.11182	1.4
327.26315	1.7
341.12790	4.7
359.13870	1.6
463.50574	0.4
480.06030	0.3
503.18173	100.0
503.30853	2.4
504.18060	1.5
508.65326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
53.31272	2.6
55.01864	8.0
55.05518	72.0
57.03431	6.9
59.04993	4.7
65.03931	3.9
67.05511	100.0
69.03429	5.9
69.07085	16.3
69.96389	9.9
69.96803	5.7
71.01358	4.7
71.04985	2.9
73.02918	5.5
77.36716	2.7
79.05505	28.3
81.03423	19.6
81.07063	55.3
83.05023	14.3
83.08626	31.5
85.02916	22.7
85.06524	6.8
87.04474	6.1
91.05494	23.1
93.07052	34.1
95.04963	7.0
95.08601	24.9
97.02896	6.4
97.06520	8.2
97.10177	48.6
105.07033	10.3
107.04970	3.4
107.08597	29.1
109.06537	3.2
109.09467	5.0
109.10167	77.1
111.04433	4.9
111.08096	6.8
117.07000	11.2
119.08572	13.2
121.10146	9.7
123.08108	4.3
123.43202	2.9
125.09646	64.3
129.06921	4.2
131.08568	11.6
132.89500	3.1
133.10150	12.4
135.08052	3.6
135.11688	12.8
137.09645	3.4
143.10675	10.7
145.10130	7.9
145.43555	2.7
147.08011	3.5
147.11777	5.4
149.13295	19.2
153.12756	7.3
155.10698	36.4
157.12241	4.0
159.11752	14.7
163.11191	22.3
168.95732	5.4
173.09583	3.1
173.11758	61.9
177.12782	13.5
181.12175	5.3
186.96774	4.4
187.13313	29.6
191.10675	8.2
193.12231	10.3
195.13828	47.8
199.13303	3.8
204.15955	4.6
209.11736	18.8
213.14821	7.4
223.13306	2.7
226.18094	5.4
227.12776	8.6
227.16399	12.4
267.75970	2.7
280.81152	2.9
414.23605	3.3
522.30524	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	502.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01871	9.9
55.05515	55.8
57.03439	10.2
57.07076	2.7
57.18475	1.9
59.05006	8.2
65.03922	3.7
67.05508	100.0
69.03416	6.1
69.07076	13.7
69.83472	10.2
71.01353	2.2
71.04989	6.2
73.02920	5.7
79.05495	26.6
81.03422	18.2
81.07056	34.4
83.01348	6.3
83.04979	13.6
83.08627	30.7
85.02913	23.0
85.06548	3.7
87.04470	11.5
91.05493	18.8
93.07053	24.3
95.04953	10.0
95.08611	17.2
97.02902	5.9
97.06525	6.0
97.10174	43.6
103.03946	3.9
105.07027	10.7
107.04951	8.8
107.08601	24.9
109.06506	5.8
109.10159	74.8
111.04459	4.7
111.08073	5.6
111.90741	1.8
117.05524	4.2
117.07007	4.7
119.08592	14.5
121.06480	3.3
121.10144	10.9
123.08078	5.8
123.95428	1.7
125.09638	41.5
129.06992	4.9
131.08572	7.8
133.10120	6.0
135.07985	4.2
135.11697	13.5
137.09612	4.0
143.10667	5.5
145.06441	2.0
145.10146	12.5
147.08092	2.7
147.11635	3.8
149.09622	4.1
153.12779	7.9
155.08557	3.2
155.10641	10.6
157.10049	2.2
157.12210	2.5
163.11191	33.0
169.12160	1.9
173.09671	6.5
173.11748	60.6
181.12225	7.2
185.11781	2.2
187.13290	2.2
191.10637	12.9
193.12206	6.7
208.98311	2.0
209.11722	26.8
223.13454	2.4
225.14807	2.3
227.12759	15.5
241.14247	2.6
271.66119	1.8
313.50269	1.9
330.27277	2.1
351.48712	1.8
359.22000	2.7
367.22552	2.5
381.09735	1.7
385.23508	3.0
399.25067	2.2
417.26291	3.8
431.28085	1.9
449.29013	4.3
467.29495	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49137	2.9
52.58401	3.0
53.03939	10.0
55.01863	12.1
55.05512	20.3
56.96546	4.1
57.03432	3.8
60.04504	3.3
63.96274	3.1
65.03960	6.0
67.05508	41.9
67.48048	2.8
69.03423	9.0
69.07069	45.2
70.06588	5.9
71.04983	6.1
71.57166	6.9
77.03935	4.3
79.05504	45.5
81.03412	14.5
81.07062	74.9
83.04983	4.4
83.08620	11.2
85.02903	18.2
87.00824	7.8
87.04520	3.2
91.05491	58.9
93.07049	63.9
94.06602	4.0
95.04984	31.9
95.08609	47.9
97.02907	11.2
97.06519	10.7
97.10152	5.1
98.97593	3.6
103.05489	4.9
105.01862	11.4
105.07033	79.7
107.04925	5.7
107.08603	55.3
109.02890	6.1
109.06513	21.3
109.10177	30.3
111.08109	6.0
111.11707	13.5
115.05492	3.6
117.07023	32.1
119.08597	49.2
121.10149	63.0
123.08056	4.2
123.11713	7.2
127.03914	13.2
128.06183	4.0
129.07002	8.1
130.05016	5.0
130.07767	9.0
131.08586	49.2
133.10161	35.0
134.09569	3.2
135.11691	23.0
139.11189	11.3
143.08545	5.4
144.09349	6.5
145.04970	9.6
145.10126	100.0
147.04416	13.5
147.11687	18.3
148.11090	3.1
149.09599	5.1
149.13248	12.2
157.10127	4.4
159.11684	54.9
161.13264	13.5
163.11240	7.2
173.13248	16.7
175.14844	8.1
191.17931	5.3
201.16388	44.9
219.17451	13.2
250.09616	16.5
250.59758	5.0
370.17041	3.0
501.96298	3.4
502.19724	12.7
502.29605	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49137	2.9
52.58401	3.0
53.03939	10.0
55.01863	12.1
55.05512	20.3
56.96546	4.1
57.03432	3.8
60.04504	3.3
63.96274	3.1
65.03960	6.0
67.05508	41.9
67.48048	2.8
69.03423	9.0
69.07069	45.2
70.06588	5.9
71.04983	6.1
71.57166	6.9
77.03935	4.3
79.05504	45.5
81.03412	14.5
81.07062	74.9
83.04983	4.4
83.08620	11.2
85.02903	18.2
87.00824	7.8
87.04520	3.2
91.05491	58.9
93.07049	63.9
94.06602	4.0
95.04984	31.9
95.08609	47.9
97.02907	11.2
97.06519	10.7
97.10152	5.1
98.97593	3.6
103.05489	4.9
105.01862	11.4
105.07033	79.7
107.04925	5.7
107.08603	55.3
109.02890	6.1
109.06513	21.3
109.10177	30.3
111.08109	6.0
111.11707	13.5
115.05492	3.6
117.07023	32.1
119.08597	49.2
121.10149	63.0
123.08056	4.2
123.11713	7.2
127.03914	13.2
128.06183	4.0
129.07002	8.1
130.05016	5.0
130.07767	9.0
131.08586	49.2
133.10161	35.0
134.09569	3.2
135.11691	23.0
139.11189	11.3
143.08545	5.4
144.09349	6.5
145.04970	9.6
145.10126	100.0
147.04416	13.5
147.11687	18.3
148.11090	3.1
149.09599	5.1
149.13248	12.2
157.10127	4.4
159.11684	54.9
161.13264	13.5
163.11240	7.2
173.13248	16.7
175.14844	8.1
191.17931	5.3
201.16388	44.9
219.17451	13.2
250.09616	16.5
250.59758	5.0
370.17041	3.0
501.96298	3.4
502.19724	12.7
502.29605	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65173	0.7
53.03934	0.9
54.37563	0.5
55.01861	1.9
55.05519	3.0
56.05027	2.0
56.96544	1.0
57.03434	1.0
57.07068	0.6
58.06598	1.3
60.04516	1.7
61.02932	2.9
66.90456	0.6
67.05509	5.2
68.05029	1.5
69.03416	2.1
69.07058	2.5
70.02957	1.7
70.06577	2.3
71.04986	1.4
71.57118	0.5
71.57547	0.7
72.04499	2.3
73.02927	1.5
74.06083	5.7
79.05500	5.5
80.05024	2.3
81.03414	2.0
81.07049	6.3
82.02943	0.6
82.06587	1.5
83.04968	2.3
83.08614	0.8
84.04496	4.1
84.08154	1.2
85.02888	2.5
85.06531	1.8
86.06087	1.5
86.09713	1.1
87.82184	0.6
89.02386	1.7
91.05492	4.0
93.07042	4.9
94.06548	2.7
95.04970	1.4
95.08610	4.1
95.47116	0.6
96.04510	1.4
96.08131	1.0
97.02923	1.2
97.06516	2.8
98.06046	1.5
98.07339	0.8
98.97617	0.7
100.03989	3.4
100.11278	1.0
102.05556	1.7
105.07038	3.5
106.06576	0.8
107.04951	0.8
107.07352	0.7
107.08605	3.8
108.08109	1.4
109.02845	0.7
109.06512	1.4
109.10171	2.0
110.06036	2.0
111.08066	1.5
112.03984	1.0
112.07612	0.6
114.05537	0.9
115.17402	0.6
116.07079	0.8
117.01873	4.6
117.07012	0.9
119.08580	2.9
120.08119	1.1
121.10151	2.5
122.06029	1.0
123.08047	0.8
123.11757	0.7
124.07608	0.7
126.05511	1.2
127.03912	1.0
128.03462	2.2
128.07083	1.8
130.05011	4.0
131.08563	2.4
133.10135	1.9
135.08089	0.7
135.11671	1.1
138.05482	0.8
140.10735	1.2
144.06573	1.0
145.10118	2.3
146.08122	24.7
147.04399	2.6
147.11708	0.8
152.07057	1.5
156.06549	0.9
159.11752	1.5
172.06049	4.1
173.13281	0.9
174.07629	3.4
175.14819	0.7
176.14294	0.6
182.15370	0.7
186.11253	1.9
189.16521	0.6
200.05563	2.6
201.16457	2.1
219.17365	2.0
236.16563	0.7
236.20015	1.2
238.21629	1.3
248.16667	0.8
248.19946	0.7
266.21191	1.4
271.08493	0.7
274.18271	0.6
274.21503	1.4
276.23227	0.9
278.21259	0.7
280.16232	0.7
284.18573	1.0
286.21671	0.9
292.22818	1.1
304.22632	1.4
312.18027	2.0
322.23819	2.0
324.25574	1.0
330.20618	0.7
332.22205	2.6
338.23367	1.2
340.17859	0.7
340.24820	14.6
350.23267	6.4
358.25867	6.4
360.21854	1.0
368.24365	27.1
368.29028	1.5
378.22784	10.2
386.25369	0.8
396.23825	100.0
397.23984	0.9
456.25980	3.0
463.79745	0.7
470.94550	0.6
484.25427	33.5
501.75436	0.9
502.26236	12.2
503.20349	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	502.2649
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	5.7
55.05517	6.0
56.05029	1.6
56.96559	1.3
57.03426	2.3
59.05001	2.7
60.04528	3.4
67.05507	10.2
68.05022	3.2
69.03425	6.7
69.07072	6.8
69.77744	1.2
70.06588	6.7
71.04996	7.1
71.57168	1.3
72.08169	2.1
79.05490	9.5
80.05036	3.2
81.03402	6.5
81.07071	11.7
82.06602	3.2
83.04983	3.3
84.04521	4.2
84.08140	3.7
85.02894	6.9
86.06075	1.6
86.09720	3.3
87.00790	1.7
87.04497	1.2
91.05492	8.8
93.07063	7.2
94.06577	6.4
95.04980	5.5
95.06955	1.6
95.08604	6.3
96.04489	3.7
96.08160	1.5
97.02904	5.2
97.06545	15.5
97.08935	5.9
98.06094	1.5
98.97608	3.1
99.04451	1.8
105.07022	4.9
106.06538	2.1
107.04964	2.0
107.08607	6.2
108.04476	1.8
108.08124	1.8
109.02844	1.9
109.10206	2.8
110.06067	4.7
110.09700	7.7
111.04418	1.4
111.08071	1.6
111.10016	2.3
112.03973	1.3
112.99194	1.6
113.02380	5.5
117.07065	3.3
118.06564	2.4
119.04948	5.9
119.08604	5.1
119.11697	1.2
120.04467	1.3
120.05302	2.7
120.08118	4.0
121.10142	6.1
122.06046	3.6
124.03979	1.7
124.99963	2.0
125.02412	1.9
125.09648	1.3
126.05512	2.1
127.03925	3.9
128.03438	16.4
129.06987	1.4
130.06516	1.3
131.00165	1.4
131.08598	4.0
132.06651	1.5
132.08075	2.6
133.10123	4.0
134.06029	2.5
134.09682	2.4
135.08083	1.8
136.03918	2.7
136.07593	2.7
137.02394	1.3
137.05975	3.1
138.05443	1.7
139.35390	1.7
140.03479	5.6
145.02815	2.0
145.10150	3.3
146.06070	2.7
147.04411	19.1
147.06909	1.3
147.11761	2.3
148.04800	6.6
148.07579	2.7
149.01254	1.6
149.13237	1.8
150.05450	3.2
151.03880	2.0
152.03418	15.5
154.05008	3.3
158.09612	1.3
160.07625	2.3
162.05550	2.5
163.03879	1.6
164.03459	1.2
166.05093	4.2
170.04529	12.3
172.06012	1.7
172.07591	1.9
176.07051	1.6
176.14316	1.3
177.05530	2.1
177.12770	3.7
178.05008	4.7
178.13208	3.3
178.15977	1.4
182.04510	12.3
190.05083	5.3
191.14342	1.8
191.16403	2.3
192.06602	3.7
194.04556	4.4
197.75815	1.3
200.05505	4.4
201.05469	1.6
204.06590	2.1
206.04405	6.1
208.06065	3.7
210.07675	1.6
212.05605	4.6
220.06093	3.7
223.21747	2.0
224.05510	6.1
224.22137	2.5
235.17003	3.6
236.05457	3.1
236.17403	4.2
237.18648	4.1
242.06618	3.0
250.19928	2.0
262.23843	1.7
272.07669	3.8
273.23337	2.0
274.23605	2.9
290.05771	1.6
291.19565	1.4
302.03165	1.2
303.16150	1.9
305.08228	2.5
319.23853	1.4
320.24243	1.7
324.60751	1.4
325.10724	1.8
327.26556	4.2
328.26862	1.8
337.10776	6.7
342.20752	1.5
348.21759	9.7
354.20660	2.1
370.20248	3.0
372.21939	4.6
382.20206	6.9
388.21384	3.1
397.14307	1.7
400.21188	10.8
405.63342	7.4
406.13235	3.1
412.21289	1.7
414.63736	3.5
418.22278	16.1
430.22256	17.2
436.23343	70.0
438.25021	3.7
448.23279	10.4
454.24359	18.2
456.25726	2.2
466.24396	100.0
467.24619	1.3
474.30542	5.0
484.25378	97.3
490.88885	1.4
502.17102	7.7
502.23734	3.5
502.30038	70.9
503.31104	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	501.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01882	1.2
55.05510	11.9
57.07070	1.1
62.29951	0.7
65.03946	1.6
67.05510	26.9
69.06709	1.4
69.07069	13.5
69.73277	3.6
71.05008	0.8
76.68829	0.8
79.05494	16.5
81.03411	0.9
81.07060	30.6
83.04997	1.8
83.08623	7.2
84.61660	0.8
85.06564	1.8
86.14205	0.7
91.05489	21.8
93.07041	17.6
95.04993	1.0
95.08607	24.1
97.05405	0.8
97.06524	2.9
97.10153	5.3
97.50858	0.7
99.08019	0.8
103.05452	0.8
105.07030	30.8
107.08599	12.8
109.06567	0.8
109.10160	12.2
111.08086	1.1
117.07024	11.2
119.08586	26.2
121.10138	8.5
123.08086	1.5
123.11711	3.3
125.09664	2.1
128.06267	1.0
129.07019	5.1
131.08582	18.4
133.10124	15.2
135.08086	1.0
135.11699	5.4
136.93132	0.8
137.09677	1.1
141.07007	1.5
143.08537	6.5
143.09427	0.7
145.06662	0.9
145.10123	14.9
147.11685	11.1
147.64565	0.8
149.09554	1.9
149.13301	2.5
154.94179	0.7
154.96721	0.7
155.08601	3.0
157.10156	5.3
159.11702	11.2
159.12885	1.2
161.09720	1.3
161.13232	5.4
163.14799	1.4
168.95767	2.0
169.10150	3.4
171.11694	5.6
172.95164	0.9
173.13260	8.7
175.11414	0.7
175.14867	2.4
181.10146	1.5
183.11728	3.2
185.13286	3.3
186.96808	4.7
187.14795	4.5
189.16394	1.0
195.11742	2.4
197.13266	2.9
199.14853	1.7
201.16437	1.6
209.13301	1.1
211.14934	1.4
213.16359	1.1
219.01286	0.7
225.16409	1.1
227.18027	0.9
251.20229	0.8
257.19016	1.1
263.20087	1.1
271.20605	1.3
279.23483	1.1
285.22220	3.4
287.51965	0.7
289.21719	1.0
289.94785	0.7
297.22079	1.0
299.23679	1.5
303.23199	1.7
317.24844	2.8
325.25412	1.7
329.24963	1.1
331.26392	2.2
339.27069	1.1
345.27847	2.1
357.27798	1.2
409.30887	1.0
419.32925	3.9
437.34128	11.2
447.18219	1.1
451.35635	1.1
469.36838	13.6
483.34842	1.0
501.39447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2962
Annotation	Acremolide B
Peak:m/z	Relative Intensity
53.03939	0.7
53.42659	0.4
53.63080	0.5
55.01858	0.6
55.05502	1.3
56.05027	0.7
56.96556	1.4
57.03413	0.8
60.04527	2.8
60.08154	1.2
61.02906	1.2
63.02374	0.6
63.76803	0.5
67.05491	2.2
69.03409	1.6
69.07043	1.6
69.65559	0.6
70.02950	0.7
70.06590	4.8
71.04980	0.7
71.57062	0.5
71.74476	0.5
72.08157	1.3
79.05471	2.1
80.05009	0.8
81.03410	2.0
81.07059	2.5
82.06590	1.3
83.04971	1.5
83.08596	0.6
84.04514	0.7
84.08136	2.7
85.02885	2.2
86.09710	7.3
87.10030	1.5
89.03920	5.0
91.03924	0.7
91.05479	2.7
93.07026	2.2
94.06554	1.5
95.04962	1.3
95.08604	1.5
96.08108	1.1
97.02862	0.8
97.06515	0.7
97.08934	2.4
98.09734	0.7
98.97576	1.9
99.04421	0.9
103.05386	0.5
104.10745	8.5
105.07021	2.2
105.11091	1.5
107.04979	0.9
107.08582	2.0
108.08155	0.5
109.02862	0.7
109.10150	1.1
110.09679	5.8
112.99136	0.6
116.10723	0.5
116.98631	0.7
117.03385	20.2
119.04895	0.8
119.08587	0.9
120.08099	1.3
121.10123	0.7
124.11229	1.1
125.00011	2.1
127.03905	1.4
129.07013	0.6
129.10226	0.7
131.00148	1.0
131.04921	0.7
131.08575	0.7
132.06551	1.3
133.06523	1.1
133.10132	1.4
134.03615	1.1
134.09641	1.1
135.04378	1.3
135.11676	0.6
136.07599	0.6
136.11221	1.3
137.05960	1.4
137.09615	1.5
138.12775	0.6
143.00206	0.6
145.02850	65.4
145.10089	0.9
147.03357	0.6
147.04411	2.2
147.11681	0.9
148.11177	0.8
149.01170	1.1
149.05971	5.8
150.12759	1.2
158.99658	1.0
161.05933	0.5
162.12672	0.6
163.03944	1.1
164.14400	1.2
172.09706	1.0
174.12759	1.0
176.14449	0.6
177.05475	73.2
178.15944	1.8
184.07344	6.9
185.07666	2.1
186.05487	0.8
190.15953	0.9
194.19186	0.5
221.20226	0.6
235.08714	1.5
235.16966	1.7
236.20178	1.4
247.21796	0.7
248.20166	1.4
251.21127	3.1
252.09741	0.6
259.21677	1.6
271.21716	1.8
272.15875	0.7
272.19855	0.7
277.22626	2.7
282.14578	0.7
286.17334	0.8
289.22729	4.4
293.05423	0.6
307.23849	2.5
324.10794	1.4
325.24850	62.1
327.26483	1.6
349.13385	0.9
396.12595	0.9
396.63269	0.6
405.13052	3.5
405.63531	0.7
451.22870	7.5
483.29019	6.0
501.19699	4.2
501.29620	100.0
502.30096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99900	3.8
53.03927	5.3
55.01860	12.0
55.05509	20.7
57.03435	9.9
57.07064	12.4
58.23143	3.6
59.05001	3.7
61.02927	6.3
67.05499	24.8
69.03429	46.6
69.07070	40.2
69.41040	9.8
69.41463	18.3
71.04990	16.4
73.02923	11.0
79.05486	10.7
81.03429	32.9
81.07063	60.0
83.04994	5.0
83.08617	54.6
85.02908	66.7
85.06546	5.4
87.00375	4.1
87.00827	27.3
91.05460	10.8
93.07059	31.2
95.04971	8.6
95.08065	4.9
95.08617	70.5
97.02898	27.7
97.06537	19.1
97.10164	17.2
99.04438	11.7
105.01868	23.1
105.07026	11.6
107.08588	47.4
109.02895	26.8
109.10163	47.5
111.04469	4.6
111.08075	6.0
115.03922	7.6
119.08574	21.7
121.10133	27.0
123.08103	5.8
123.11732	23.0
125.09612	13.1
127.03930	40.3
127.11203	34.3
131.08633	6.7
133.10150	42.0
135.11713	10.9
137.09660	4.9
137.13243	12.2
139.14815	17.2
143.08655	5.1
143.10675	10.3
145.04976	12.1
145.10103	11.0
147.11687	11.5
149.07156	3.9
149.13263	46.3
153.12703	3.8
159.02888	12.9
159.11649	9.2
161.13280	13.7
163.14819	12.4
167.14343	27.7
171.08147	4.4
171.11638	6.8
173.13261	8.6
175.14857	6.4
181.89282	3.9
183.11864	4.9
189.16455	4.3
197.13274	6.3
201.03845	6.7
217.19562	25.6
219.04892	4.9
219.21103	8.3
235.20572	100.0
247.04375	3.9
247.20576	4.4
253.21660	20.3
263.39041	4.7
325.21591	7.8
343.22787	7.1
389.22830	8.1
465.24631	6.2
501.28201	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	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.5
56.05043	1.1
56.40607	0.5
56.40926	0.5
56.96574	1.8
57.03439	0.6
57.05832	1.3
65.03926	0.6
67.05513	0.8
69.03432	0.8
70.06597	3.0
71.56914	0.8
72.08160	100.0
72.32186	0.6
83.04993	0.6
83.06129	0.6
84.04504	1.5
84.08152	2.5
84.96009	0.6
85.02925	1.0
85.49445	0.5
86.09702	4.1
86.22971	0.5
91.05483	5.1
96.08146	0.7
97.02901	0.7
97.08951	0.8
97.96809	0.6
98.97578	4.4
107.04958	0.7
110.07208	0.8
110.09670	0.5
110.97589	1.4
116.98650	1.6
118.06543	0.6
119.04948	7.4
120.08098	0.5
121.06518	0.6
123.04478	1.2
126.05566	0.6
127.78497	0.5
128.98621	1.0
131.71126	0.5
134.99727	0.6
136.07584	76.2
138.05501	1.1
139.25928	0.5
147.04417	5.6
152.07230	0.6
152.98587	0.6
158.99673	1.3
165.05492	3.4
177.00806	0.8
182.08133	6.5
190.57414	0.5
193.09737	41.4
207.03244	1.9
219.01830	2.5
221.09224	43.2
237.02869	2.6
244.22215	0.7
247.14357	0.6
271.38068	0.6
275.13901	4.3
281.14981	20.1
291.72989	0.6
309.06219	1.7
320.16086	11.9
322.13892	2.0
327.07495	4.1
327.26422	1.6
332.11026	0.6
381.23672	1.7
405.18207	0.6
423.24841	0.6
441.10687	10.6
484.19214	1.1
501.28320	8.1
502.26602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34474	0.2
55.05520	0.3
56.05030	0.5
58.06631	0.6
59.05005	0.2
60.08168	6.0
60.08474	0.3
61.02924	0.3
67.05510	0.5
69.03436	0.3
69.07059	0.3
70.06602	1.6
70.17072	0.2
70.57629	0.2
71.04990	0.6
71.07382	2.4
71.57147	0.2
72.08165	0.7
79.05505	0.6
81.03417	0.6
81.07063	0.8
83.04990	0.3
83.08624	0.3
84.04539	0.2
84.08144	0.6
85.02894	0.5
85.06538	0.2
86.06061	0.3
86.09712	30.0
87.04504	0.2
88.13824	0.2
91.05479	0.8
93.07048	0.7
95.04953	0.2
95.08598	0.5
97.02874	0.4
97.06526	0.5
98.60789	0.2
98.97588	0.4
98.98470	2.4
100.11256	0.5
104.10757	2.7
105.07049	0.4
107.04967	0.3
107.08595	0.2
109.10156	0.3
110.05958	0.2
110.07225	0.2
111.08069	0.4
115.93900	0.2
119.04977	0.3
119.08569	0.3
120.08153	0.2
121.10146	0.4
125.00015	19.2
128.03435	0.2
131.08577	0.3
133.10141	0.3
147.04404	0.5
147.11684	0.3
149.05569	0.2
149.09625	0.3
157.10091	0.3
163.03880	0.9
166.62701	0.2
184.07350	100.0
185.07669	0.4
193.12302	0.2
210.15082	0.2
211.15230	0.3
213.15988	0.5
215.07120	0.3
243.13615	0.2
246.14993	0.2
259.09625	0.4
267.15738	0.3
280.13336	0.4
285.16696	0.4
312.22684	0.3
316.62741	0.2
326.13742	0.6
432.21100	0.9
450.22543	10.8
454.18469	0.7
454.34454	0.3
455.35089	1.0
464.22617	0.3
482.23950	1.0
500.18933	1.2
500.25052	0.2
501.19272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50579	0.3
55.05505	0.6
56.05026	0.7
56.96567	0.7
57.03435	0.3
58.06592	0.3
60.07888	0.3
60.08168	5.2
61.02914	0.6
67.05492	1.1
69.03441	0.7
69.58230	0.9
69.58640	1.1
70.06589	3.3
71.04989	0.3
71.07372	2.6
72.08144	1.0
73.02914	0.4
79.05489	0.8
81.03408	0.8
81.07063	1.4
83.04974	0.5
84.08127	0.6
85.02888	0.9
86.09708	30.2
91.05478	0.8
93.07027	1.1
95.04960	0.6
95.08586	0.6
96.04521	0.3
97.02908	0.5
97.06502	0.9
98.97560	0.6
98.98470	2.2
104.10750	2.6
105.07029	0.6
107.08607	0.5
108.08059	0.3
109.10098	0.3
110.07171	0.4
111.04439	0.4
111.08078	0.4
119.04906	0.3
119.08568	0.5
120.08127	0.4
121.10133	0.8
125.00007	18.0
129.10310	0.4
131.08528	0.4
133.10124	0.3
135.11722	0.3
147.04401	1.1
149.09657	0.4
163.03915	0.9
180.73828	0.3
184.07346	100.0
200.05513	0.4
215.06952	0.4
239.09570	0.5
241.08604	0.4
259.09543	0.4
267.15854	0.5
280.13345	0.8
281.14038	0.8
283.08640	0.5
283.15436	0.7
285.16418	1.0
301.16510	0.4
326.13748	2.1
327.26605	0.5
404.12317	0.3
405.12555	0.4
432.21683	1.1
450.22531	11.0
450.28854	0.5
454.18628	2.5
464.22681	0.8
482.24173	0.8
500.18863	3.9
501.19351	0.6
519.17535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.5
54.90860	2.6
55.01858	9.1
55.05515	30.8
57.03440	34.6
57.07063	6.5
58.06581	2.5
61.02930	61.4
65.03880	2.9
67.05505	94.7
69.03433	38.9
69.07076	29.1
71.01347	7.0
71.04986	8.4
71.08627	4.9
71.57928	3.7
73.02919	29.6
75.04470	3.8
76.14139	2.3
79.05493	31.1
81.03429	37.7
81.06585	4.9
81.07059	100.0
83.04977	6.3
83.08623	26.2
85.02909	68.5
85.06534	3.1
87.04472	5.7
88.94070	2.7
91.03963	40.5
91.05486	26.3
92.83603	2.8
93.07040	36.2
95.04974	4.4
95.08614	77.5
97.02892	62.2
97.06518	8.2
97.10153	17.0
99.04463	17.5
101.02374	9.7
103.03958	21.8
105.07054	20.8
107.08589	20.9
109.02892	22.0
109.06503	3.3
109.09469	3.8
109.10160	42.0
111.04437	6.7
111.08034	4.5
115.03894	4.6
117.06994	2.8
119.08575	15.7
121.06528	2.8
121.10178	16.1
123.08042	3.7
123.11687	11.5
125.09646	4.7
127.03925	40.1
129.05492	5.7
131.08528	5.9
133.10133	15.7
135.11678	9.6
137.13263	6.8
141.05457	2.5
145.04933	11.1
145.06482	2.8
145.10129	6.8
147.11694	10.6
149.13249	10.2
151.14812	4.1
153.12733	2.9
161.13263	9.0
163.14879	3.3
165.28690	2.5
173.11755	6.8
175.14822	8.3
177.16373	2.6
182.88516	3.0
183.06587	12.0
187.14667	3.1
201.07620	7.7
245.22719	13.7
263.12686	3.2
263.23697	24.2
298.02066	2.6
311.25519	4.1
321.23987	2.7
329.24603	3.1
337.27386	97.9
353.24747	2.6
365.26816	3.3
371.25604	4.7
407.27670	10.1
445.29504	3.6
463.30429	3.2
481.31537	9.3
499.32587	29.1
499.38370	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	499.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01865	12.4
55.05270	3.1
55.05516	55.9
57.03426	6.0
59.05003	10.3
67.05511	100.0
69.03418	4.6
69.07080	12.5
70.90790	4.5
70.91164	3.2
71.01333	2.8
71.04998	6.1
73.02897	2.0
73.70653	1.9
79.05503	34.8
81.03419	21.1
81.07064	37.4
83.01332	5.1
83.04992	15.0
83.08631	25.0
85.02915	18.8
85.06541	3.9
87.04459	8.7
91.05492	23.4
93.07038	18.0
95.04967	8.6
95.08612	15.7
97.02860	6.3
97.06509	5.7
97.10174	33.4
99.04482	2.1
105.07018	9.0
107.04958	10.2
107.08604	20.5
107.79452	2.1
109.06487	4.6
109.10169	72.2
111.04428	5.6
111.08061	4.7
117.07023	5.0
119.08581	13.1
121.06513	2.8
121.10143	9.7
123.08067	6.6
125.09638	38.6
131.08582	6.9
133.10150	4.0
135.08075	2.2
135.11717	11.4
137.09636	6.3
143.10672	5.2
145.10135	18.9
147.08078	2.6
153.12770	8.2
155.08582	5.2
155.10664	12.0
163.11194	32.8
173.09625	11.0
173.11760	56.7
174.12224	2.5
174.37451	2.0
181.12195	8.6
191.10698	14.0
209.11688	21.4
227.12721	5.4
230.83702	2.2
467.70465	2.3
499.33911	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	499.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83902	1.0
52.56506	0.9
57.02629	1.1
57.98844	1.0
69.84310	1.1
69.84631	5.1
82.99857	3.2
85.01405	2.1
86.99332	1.3
91.19006	1.1
94.99847	1.8
97.02916	1.7
101.00887	21.0
103.02450	3.5
113.00875	6.8
119.01939	17.4
127.02425	18.7
129.04066	1.1
131.01907	13.2
133.03493	5.8
139.02420	3.5
143.01909	32.3
145.03481	41.4
147.01422	3.0
149.02927	1.7
155.01906	34.7
155.08057	1.0
157.03473	17.1
161.02988	16.4
163.04555	2.5
167.01903	16.7
169.03506	4.4
171.01396	9.0
171.05095	3.0
173.02974	40.0
175.04547	4.3
179.01941	5.9
181.03529	2.5
185.02971	44.9
187.04575	6.0
189.00996	1.2
189.02449	6.7
189.48140	1.0
190.14061	1.0
191.03944	1.5
197.02972	17.2
199.00851	7.5
199.04579	3.7
201.02432	2.3
201.06100	2.4
203.04004	13.1
209.03015	3.5
211.00911	1.2
211.04546	1.4
215.04036	11.1
217.01961	64.6
217.05518	2.5
221.05042	5.8
227.04018	12.0
229.02014	10.9
235.02960	13.8
239.04002	2.1
242.85027	1.1
245.05095	100.0
246.05237	2.2
247.02974	10.9
247.06776	2.1
257.05032	14.2
259.03082	1.2
263.06131	9.7
275.06131	14.6
277.04092	16.8
277.07227	1.8
293.07266	2.7
295.08798	3.1
301.04004	11.5
305.07263	9.9
319.05084	27.7
319.08591	1.6
335.08270	6.1
337.06171	37.4
365.09308	14.3
439.13022	4.6
481.10394	1.8
485.61252	1.1
499.11481	43.8
504.77197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.4
71.55559	1.0
73.60882	1.0
82.99860	2.6
84.96049	1.6
85.01423	2.8
85.02909	2.8
94.99850	1.5
97.02892	1.8
98.97591	11.8
101.00887	21.1
101.01498	2.0
103.02450	3.2
109.02915	1.4
110.97579	5.2
113.00883	8.7
115.02430	1.7
116.07108	1.5
116.98623	1.9
119.01932	20.5
127.02426	16.5
128.98625	2.1
129.00333	1.5
129.03958	2.2
131.00195	1.8
131.01924	10.8
133.03479	12.0
137.00803	1.3
138.05487	6.0
139.02409	3.8
140.98680	1.5
143.01904	31.3
145.03471	39.0
147.01411	1.5
147.04359	1.4
149.01303	1.2
151.04565	1.4
152.98625	2.0
153.04033	1.5
155.01918	40.1
156.98123	4.2
157.03468	18.1
158.99673	3.1
159.05046	1.6
161.01649	1.9
161.02971	15.9
163.04541	2.8
167.01921	16.8
169.03456	6.2
170.44417	1.3
170.99695	4.4
171.01422	10.7
171.05086	4.1
173.02977	42.6
174.99197	14.5
175.00758	2.1
175.04564	6.7
179.01930	5.5
181.03503	3.0
182.99699	3.9
183.01344	2.0
183.05002	1.4
185.02977	44.3
187.04533	6.9
189.00838	2.0
189.02477	6.9
191.04025	2.4
193.00298	6.4
193.01883	1.7
197.02995	15.5
199.00899	6.6
199.04570	4.5
201.00752	7.0
201.02390	1.8
201.06133	4.3
203.04076	14.3
209.02994	4.2
211.01138	2.0
211.04535	4.0
215.03992	6.9
217.00206	4.4
217.01979	59.8
217.05302	7.4
219.01826	4.8
221.05070	5.1
227.04025	10.9
229.01956	10.9
229.05586	1.9
235.01053	1.5
235.03067	12.2
243.01826	2.2
245.05095	100.0
246.05257	2.5
247.00908	1.1
247.03040	12.5
247.06807	2.4
257.05084	12.9
258.04507	1.6
261.02856	9.3
263.06149	9.7
265.03967	1.4
273.02548	1.2
275.06201	13.4
277.04105	18.5
277.07648	6.6
279.03879	5.1
291.77774	1.1
293.07501	1.8
295.08774	9.0
301.04105	10.7
305.07239	11.9
319.05170	28.0
321.05087	5.1
335.08389	4.5
337.06290	32.2
338.06525	1.1
347.08603	1.3
351.05914	2.1
365.09344	14.3
389.69159	1.3
439.13135	12.3
481.09149	3.4
499.11264	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01867	1.0
55.05508	6.9
56.96559	1.2
57.03438	8.5
57.07060	3.2
58.06683	0.7
59.05001	14.8
60.04475	0.8
61.02929	3.9
61.18815	0.8
64.16309	0.8
65.03938	1.7
65.05625	0.8
67.05506	34.0
69.03423	4.5
69.06727	1.7
69.07070	18.5
70.06596	1.5
71.04990	7.9
71.08609	3.3
71.56937	0.8
73.02907	2.5
73.06529	3.1
76.79371	0.9
77.06032	1.1
79.05493	11.7
81.03433	4.1
81.07059	53.6
83.04982	2.3
83.08205	0.8
83.08627	6.5
84.04515	0.9
85.02905	8.9
85.06544	6.7
85.10168	1.2
86.09718	1.0
87.00836	2.2
87.04444	3.1
91.03949	1.9
91.05482	14.2
93.07044	21.3
95.04969	2.2
95.08608	9.0
97.02914	5.2
97.06526	7.1
97.10131	1.0
98.97582	2.3
99.04437	2.2
99.08079	2.4
103.05482	0.9
105.01847	1.8
105.05508	5.7
105.07010	4.6
107.04958	1.2
107.08604	8.5
109.02832	1.6
109.06503	2.5
109.10159	4.8
111.08098	1.8
111.11726	14.4
113.05976	0.9
117.07028	5.6
119.08601	1.4
121.06550	1.0
121.10132	4.0
123.11716	8.5
125.09631	0.8
127.03931	6.4
127.11176	3.6
129.11855	1.6
129.12759	21.0
131.04921	1.1
131.08562	6.7
133.10124	12.4
135.08023	1.9
135.11673	5.1
137.05949	1.1
138.46790	0.8
145.04976	2.8
147.04388	1.7
149.13264	11.9
151.11229	3.9
159.11696	21.0
161.13255	1.8
162.06679	0.9
163.07478	0.9
165.67888	0.9
167.07004	0.9
169.12187	2.1
172.78545	0.9
177.11201	1.8
177.12746	31.2
179.14308	6.3
187.13292	6.2
195.13803	6.3
198.68518	1.0
215.16484	4.9
231.05042	1.1
233.15312	1.3
233.17429	1.1
243.15930	33.7
251.16431	10.7
259.09695	2.2
269.17477	100.0
301.16803	1.8
301.20087	21.2
312.89987	1.1
313.16290	1.3
330.75967	0.8
445.24344	8.7
463.25552	1.2
498.29956	2.7
503.17877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05511	8.2
56.96572	2.4
57.03442	8.6
58.77555	1.1
59.04977	1.6
61.02920	3.4
63.60100	1.3
65.03937	1.8
67.05177	1.9
67.05509	32.2
67.41824	1.2
69.03425	5.7
69.07051	6.1
70.06580	4.2
71.05002	12.9
71.39170	2.3
73.36343	1.4
75.63802	1.2
79.05502	13.3
81.03052	1.1
81.03439	13.3
81.07063	57.4
83.04975	4.7
83.08636	8.3
85.02901	6.1
85.06540	7.8
86.09701	1.8
91.03912	2.1
91.05486	15.1
93.07056	16.0
95.04958	4.1
95.08617	10.1
96.27629	1.5
97.02877	4.6
97.06533	7.6
98.97562	3.9
99.04460	2.8
99.08083	2.7
105.07047	7.3
107.04964	2.7
107.08581	10.3
109.02905	6.6
109.06519	3.2
109.10149	5.0
111.04444	2.4
111.08062	3.1
112.99075	1.4
116.98646	2.4
117.07015	4.9
119.08611	3.3
120.08077	1.6
121.06485	1.6
121.10155	7.3
123.11713	8.7
127.03908	6.2
130.65976	1.3
131.08574	7.6
133.10162	14.6
135.11716	3.6
140.10722	2.4
147.04362	4.9
147.11667	1.5
149.13269	9.6
151.11200	6.8
159.11719	16.7
161.13264	3.4
163.03932	2.2
169.10115	2.0
169.12213	3.8
169.27113	1.5
175.11082	1.6
177.12775	20.2
179.14342	10.7
179.81256	1.4
186.11287	1.4
187.13316	10.3
193.12244	6.0
195.13768	3.8
213.14896	1.8
225.14838	3.9
226.88318	1.4
233.15364	2.3
243.15964	43.6
251.16400	4.5
259.09641	1.5
267.16229	1.4
267.25677	1.5
269.17502	100.0
277.87582	1.3
287.05420	2.0
295.15387	2.2
301.20023	9.4
302.33981	1.3
313.16479	26.0
339.18036	4.9
371.20813	8.8
373.13974	1.7
413.21478	2.5
417.17670	1.6
474.15359	4.7
474.65378	2.1
498.18536	2.5
498.30170	2.8
499.21298	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	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01872	17.3
55.05267	2.1
55.05515	32.4
56.96563	3.2
57.03437	14.8
57.07083	2.9
59.05001	5.4
61.02924	8.5
63.34772	1.3
65.03928	3.1
67.05505	72.5
69.03437	9.3
69.07065	16.4
70.06592	11.9
71.01369	8.8
71.04991	7.4
71.57240	1.8
72.08157	3.4
73.02927	9.4
79.05496	47.7
81.03418	55.0
81.07059	35.9
81.37714	1.5
83.04983	32.3
83.08633	15.3
84.04515	2.4
84.08110	2.7
85.02905	20.5
85.06540	4.5
86.06048	2.3
86.09702	5.9
91.03949	2.9
91.05488	28.6
93.07048	35.3
95.04981	16.0
95.08609	23.6
96.08067	1.3
97.02893	33.4
97.06545	12.9
97.10175	11.1
98.97653	1.6
99.04459	3.4
102.05556	3.1
105.07036	13.8
107.04961	42.6
107.08603	24.0
109.02868	5.7
109.06539	3.7
109.10160	57.8
111.04439	18.8
111.08089	10.3
111.11666	2.1
117.07029	13.9
119.04928	2.4
119.08582	19.5
120.08113	4.6
121.06503	5.9
121.10134	15.3
122.75428	1.7
123.04430	3.7
123.08067	4.5
125.06032	2.5
125.09612	9.6
125.42783	1.4
127.03922	4.4
127.11190	1.9
129.07013	4.4
131.04933	3.5
131.08577	14.4
133.10095	1.9
135.04431	2.7
135.08023	6.3
135.11703	29.5
137.09592	5.9
143.08566	2.2
145.04958	2.3
145.06519	3.7
145.10127	27.8
147.04401	5.4
147.06546	3.4
147.08038	6.3
149.09616	3.9
153.12746	35.2
155.08568	5.2
155.10623	9.3
160.07576	3.4
163.03871	1.9
163.11182	63.7
173.09628	11.5
173.11746	37.7
173.13188	3.0
181.12267	14.9
191.10687	14.8
194.15565	1.5
209.11746	15.4
227.12785	12.7
229.14334	100.0
258.93512	1.5
283.15503	8.0
301.16507	8.5
316.86176	1.4
346.25812	1.7
353.16125	1.9
371.17224	1.6
445.20694	7.1
463.21722	3.0
480.22083	2.4
498.16693	2.5
498.27072	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	498.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01865	2.1
55.05507	9.6
56.69690	0.9
57.03431	2.9
57.07077	8.0
59.04702	2.0
59.05000	38.0
61.02918	3.5
62.04399	1.0
67.05510	9.9
68.99783	1.6
69.03429	12.2
69.07067	66.9
69.42654	6.6
70.80193	1.0
71.04995	4.2
71.08633	15.1
73.02918	2.1
73.06558	7.6
77.06037	3.5
79.05491	4.9
81.03427	7.5
81.07057	18.0
83.04979	2.8
83.08623	5.0
85.02904	23.7
85.06548	3.0
85.10194	11.4
86.09696	1.3
87.00830	10.5
87.04468	3.0
91.05479	7.0
93.07036	7.5
95.08603	2.7
97.02888	9.3
97.06522	2.5
97.10169	1.1
98.97569	1.2
99.04448	3.6
100.04181	0.9
105.01862	10.8
105.05508	20.6
105.06227	1.0
105.07032	2.7
107.08614	2.1
109.02880	7.4
109.10153	3.2
111.08104	0.9
111.11723	77.8
117.05518	5.2
117.07011	2.2
121.06515	1.0
121.10118	1.7
123.06546	1.1
123.11698	2.2
127.03934	12.8
127.11215	4.6
128.11514	1.0
129.12756	100.0
131.08560	5.1
133.10121	3.1
135.11679	1.7
145.05016	4.5
147.03020	1.0
147.04381	1.5
149.13263	4.4
151.11282	1.5
159.02942	2.0
159.11655	7.4
163.03894	1.0
169.12236	0.9
177.12769	9.3
179.14346	2.9
187.13354	3.0
187.16945	3.5
195.13741	1.8
206.38464	0.9
215.14430	2.6
215.16425	38.5
221.42064	0.9
231.05029	3.5
233.17491	4.0
243.15970	12.4
249.06088	1.2
251.16481	2.7
269.17496	31.8
278.41275	0.9
301.20151	6.7
304.25281	0.9
344.23990	1.0
352.61844	0.9
400.19913	2.2
409.68222	1.9
445.24295	2.8
459.67752	0.9
498.27234	2.2
503.17847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01865	4.8
55.05497	3.6
57.03429	5.6
67.05507	18.0
69.03419	2.5
69.07063	3.9
70.06593	3.0
71.04980	2.0
71.57188	2.1
73.74432	1.5
79.05495	16.0
81.03414	4.8
81.07060	13.4
83.04974	7.4
83.08601	2.8
84.04491	1.7
85.02899	4.9
85.06535	3.9
86.09699	2.5
91.03955	2.0
91.05494	9.8
93.07050	14.6
95.04952	6.7
95.08611	5.8
97.02878	2.4
97.06522	7.4
100.11253	4.7
101.06008	1.8
101.28125	1.8
103.05449	1.8
105.07023	2.5
107.04958	22.9
107.08612	8.9
109.06532	3.2
109.10167	2.9
111.04446	7.0
111.08094	4.0
113.06023	1.6
117.06998	5.0
119.08595	6.4
121.10155	17.4
121.54803	1.5
129.07011	2.2
131.08551	6.0
133.10138	2.8
135.11711	16.6
145.06465	4.7
145.10143	20.0
147.08081	2.2
149.09595	3.1
153.12712	2.0
155.08546	5.3
163.11191	24.7
173.09573	14.9
181.12253	5.8
191.10684	12.8
209.11772	7.9
209.16510	1.7
227.12767	6.6
251.92625	2.1
265.14359	22.4
283.15405	100.0
301.16470	97.4
311.01654	2.1
317.32315	1.8
416.46100	1.7
453.34396	10.3
454.20868	4.9
463.21930	2.4
498.20486	30.2
519.17450	2.6
520.17426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01864	5.4
55.05509	11.5
56.96552	2.7
57.03442	7.0
57.07074	10.3
59.05004	41.7
61.02915	4.4
67.05502	11.1
69.03434	20.9
69.07070	62.6
70.06587	1.3
71.04993	6.8
71.08634	10.3
73.02915	4.5
73.06563	9.6
77.06036	2.7
79.05483	3.4
81.02993	1.3
81.03425	17.6
81.07061	15.9
82.12043	1.2
83.08611	5.4
84.04513	1.6
84.08162	1.4
84.18711	1.4
85.02908	51.9
85.06544	2.7
85.10178	7.5
87.00831	26.1
87.04475	6.1
88.00560	1.1
89.06017	1.5
89.74422	1.1
91.03937	2.0
91.05475	4.4
91.55715	1.3
93.07029	5.7
95.04960	1.5
95.08595	3.6
97.02288	1.6
97.02892	27.7
97.06522	5.7
97.10184	6.4
98.09715	1.1
98.97588	1.6
99.04451	11.6
105.01863	34.7
105.05510	21.2
105.07000	2.8
107.08592	3.4
109.02884	18.8
109.06495	1.6
109.10154	16.7
111.04411	2.7
111.11722	62.1
115.11192	4.8
117.01865	1.5
117.05499	2.6
117.07011	1.7
119.04920	1.4
119.08598	2.2
121.10167	1.2
123.11713	2.2
127.03917	32.8
127.11203	30.2
129.01863	2.3
129.12759	100.0
130.05009	2.3
133.10130	3.6
135.11655	1.4
145.04953	17.1
145.10191	1.5
145.12228	4.6
147.04395	2.9
149.13264	3.4
159.02890	8.4
159.11655	4.4
177.12752	5.0
179.14337	2.4
187.13313	1.6
187.16940	3.4
195.06624	1.5
213.03911	2.5
215.07153	1.3
215.16418	32.5
231.04980	13.7
233.17484	12.2
243.15968	11.3
249.06015	5.0
251.16470	2.1
259.09601	1.5
269.17453	24.1
301.20056	3.1
313.16446	2.7
322.71237	1.3
324.05811	1.3
374.27493	1.3
475.01877	1.5
498.19165	2.0
499.20993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68964	1.0
53.03933	1.5
54.21238	1.2
55.01860	2.2
55.05514	6.5
57.03419	3.2
57.07079	8.5
61.02924	1.8
67.05171	1.6
67.05508	19.8
69.03435	7.6
69.06725	1.5
69.07073	22.3
69.72425	4.7
70.06575	1.4
71.04978	3.2
73.02914	1.7
79.05493	1.3
81.03432	6.3
81.07077	7.8
83.05003	1.3
83.08607	4.6
85.02911	17.5
86.09656	1.1
87.00832	8.3
87.04449	1.2
91.05467	1.2
93.07037	2.2
93.97086	1.0
95.04977	1.5
97.02908	8.1
97.06520	2.4
97.10175	19.7
98.97572	2.6
99.04454	2.0
99.11684	1.0
105.01865	7.8
105.07018	1.2
107.08598	1.7
109.02882	5.5
109.10163	100.0
117.07025	1.3
119.04912	1.1
119.08544	2.1
125.09651	1.3
127.03926	11.7
127.11205	26.8
129.06969	1.0
130.05032	1.1
131.08566	1.2
140.84012	1.1
142.47762	1.0
145.04930	4.4
145.12248	76.9
147.04420	1.9
159.02945	2.0
163.57501	1.1
169.10146	2.1
215.14532	1.4
215.16464	4.2
231.05005	2.8
233.15263	1.8
233.17491	28.8
249.05923	1.3
269.17432	1.2
340.35983	0.9
357.15326	1.7
373.14078	1.2
474.15485	3.0
474.65866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01866	5.1
55.05504	4.8
56.96569	1.9
57.03439	17.5
57.48160	1.2
59.04997	3.3
60.04531	3.5
61.02920	5.6
67.05493	4.3
68.99769	2.9
69.03431	91.8
69.07073	3.9
69.57053	8.2
70.06593	5.1
71.05003	7.3
72.08157	1.4
73.02913	5.9
79.05505	4.5
81.03419	28.9
81.07046	4.3
83.01322	1.5
83.04977	8.6
83.08629	2.1
84.04509	2.0
84.08181	1.2
85.02908	100.0
86.09711	4.8
87.00829	40.7
87.04472	26.6
91.03962	1.8
91.05474	3.1
93.07041	3.3
95.04993	2.8
95.08605	4.3
97.02897	77.7
97.06541	2.6
98.97601	1.9
99.04459	15.0
99.08041	1.6
105.01868	62.2
105.07055	2.3
106.06494	1.7
107.08588	3.0
108.08076	1.3
109.02887	31.4
109.06516	1.5
109.10165	1.5
111.04429	6.8
111.08078	3.8
113.09626	1.9
115.03934	34.2
117.01842	1.5
119.01643	2.5
119.08595	2.5
120.08119	1.5
121.06519	1.9
121.10136	1.5
123.04469	1.3
123.08094	1.7
125.02357	1.6
127.03920	67.2
129.01859	3.4
129.05482	2.5
131.04941	1.3
131.08589	1.5
133.04964	19.3
133.22903	1.2
135.04425	2.2
135.08070	2.2
135.11708	2.0
137.06004	1.3
137.09641	1.7
139.03899	4.9
139.07568	3.2
141.09085	3.2
145.04959	35.0
145.10146	1.8
147.02798	1.6
147.04427	4.1
149.06050	2.6
150.07603	18.4
151.07646	3.2
159.02917	10.1
161.13274	1.8
163.03918	2.0
163.11214	2.2
165.09125	1.4
169.05002	1.4
177.04103	1.5
177.05515	5.6
181.05003	1.4
181.12300	1.6
183.02847	1.6
187.06071	1.9
189.03922	2.5
191.10643	2.4
195.06721	1.7
197.15372	1.9
201.04050	1.8
205.05055	2.9
209.11765	10.8
212.84259	1.3
213.03940	4.7
215.05540	1.5
215.16331	2.5
223.06070	3.3
227.12740	2.2
231.05019	22.9
237.02827	1.2
241.07167	6.6
241.09290	1.4
249.06044	13.1
269.13757	4.7
273.06042	2.8
283.10031	1.2
283.15427	6.0
295.11819	19.5
301.09229	3.5
301.16327	1.6
309.06033	2.7
313.12753	9.8
324.21646	1.6
327.07144	10.7
327.26404	1.6
331.13800	4.1
336.18524	2.2
345.08145	18.8
363.09271	3.2
498.20947	2.1
498.28250	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	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.0
54.13031	5.1
55.01857	7.6
55.05501	20.8
57.03456	27.8
61.02927	59.9
62.77811	5.5
65.03932	5.1
67.05186	4.7
67.05511	91.9
67.69344	4.6
69.03426	38.0
69.07069	24.7
69.31592	4.5
71.01346	8.4
71.04973	6.7
71.57139	9.1
72.04347	4.6
72.70349	4.6
73.02912	30.2
79.05496	50.3
81.03418	24.7
81.07060	100.0
83.04991	12.2
83.08611	9.8
85.02904	56.6
87.50120	4.5
91.03960	33.6
91.05479	41.3
93.07040	56.2
95.04951	9.2
95.08614	64.9
97.02902	46.3
97.10204	8.6
99.04470	9.6
101.02361	12.6
103.03930	8.2
105.07018	32.3
107.04952	5.4
107.08612	38.3
108.13085	5.0
109.02885	10.3
109.10152	33.8
109.14964	5.3
114.23890	4.6
117.07042	6.6
119.08588	29.6
121.10146	35.7
123.11667	13.2
125.09574	4.7
127.03895	16.6
129.05478	7.6
129.06935	7.7
131.08551	20.6
133.10106	21.8
135.11659	15.4
137.09724	5.6
137.13197	6.6
143.08540	5.9
145.04942	10.6
145.10126	18.4
147.11641	15.1
149.09557	5.8
149.13263	8.5
159.11638	12.0
161.13210	13.7
173.13237	10.1
175.14810	7.8
183.06534	5.8
246.15971	5.1
261.22144	23.2
274.31180	4.6
335.25803	96.4
350.27374	6.8
443.27722	5.6
461.29315	6.1
479.30081	11.0
497.31244	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Lesterone
Peak:m/z	Relative Intensity
53.03945	10.2
55.01866	9.2
55.05514	31.6
56.96558	4.3
57.03440	41.7
57.07074	8.1
61.02641	5.7
61.02929	69.2
65.03931	3.5
67.05507	94.1
69.03433	43.4
69.07068	26.5
69.28355	29.5
71.01362	7.0
71.04988	7.1
71.08602	4.1
73.02915	42.2
79.05494	63.4
80.21391	3.9
81.03426	27.0
81.07059	97.7
83.04974	12.8
83.08622	16.8
85.02903	72.0
85.06527	3.9
87.04476	6.3
89.84972	3.7
91.03969	31.4
91.05485	63.7
91.06764	3.3
93.07047	84.3
95.04993	17.7
95.08609	79.8
95.13720	3.9
97.02894	54.8
97.06524	9.7
97.10114	7.9
98.04121	3.3
98.97556	3.6
99.04464	15.5
99.08080	4.0
101.02384	10.2
102.88467	3.7
103.03947	8.8
105.07034	55.3
107.04948	11.8
107.08601	50.7
109.02897	6.2
109.06475	7.5
109.10148	29.0
111.04450	6.6
115.03857	4.7
117.07011	26.5
117.27096	3.7
119.08588	46.0
120.87711	3.2
121.06477	6.5
121.10146	35.7
122.10428	4.2
123.08073	9.7
123.11687	10.4
127.03904	16.4
128.06186	4.0
129.05475	12.7
129.07018	16.9
129.13844	3.9
131.08566	42.1
133.06499	7.0
133.10143	29.4
135.08049	8.9
135.11653	19.5
136.53677	3.6
141.06996	4.4
142.07800	4.5
143.08566	15.9
145.04955	5.0
145.06467	7.4
145.10110	25.7
147.08049	7.2
147.11694	21.0
149.09630	7.2
149.13257	19.1
155.08513	4.0
157.06435	6.2
157.10150	12.4
159.08031	6.0
159.11711	14.5
161.09695	5.7
161.13280	14.2
163.11165	6.2
163.14807	10.6
165.12779	3.6
169.10146	7.6
171.11713	8.8
173.09576	6.6
173.13303	16.3
175.14854	7.4
183.11778	4.6
185.13216	7.8
187.14824	14.7
197.09648	3.8
197.13304	6.1
199.11246	4.7
199.14787	4.4
211.14810	6.0
215.18095	3.5
217.15955	4.5
243.21075	17.6
255.21132	4.4
259.20508	9.4
261.22168	31.2
265.43463	3.5
271.12659	3.8
273.22095	8.0
275.23837	4.7
279.23245	5.3
285.22101	6.2
291.23285	4.5
297.21872	4.9
299.23587	6.5
303.23203	18.9
315.23166	8.0
317.24719	8.9
327.23254	10.1
334.24271	4.2
335.25769	55.4
339.22888	4.0
341.24716	10.3
345.24426	5.7
351.23120	8.6
353.26898	4.3
359.25815	6.2
362.21939	4.4
363.25089	4.8
369.24170	24.0
375.25455	4.4
377.26859	19.8
382.48572	3.9
387.25299	13.1
389.26688	10.6
401.26987	4.2
405.26337	10.1
419.27780	10.8
425.26840	7.9
431.27777	9.1
443.27948	51.3
461.28986	31.0
479.30099	32.8
497.31070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.01865	12.0
55.05510	25.4
57.03443	32.1
57.07066	9.5
61.02646	4.7
61.02931	69.1
65.03931	4.5
67.05171	7.4
67.05505	96.7
69.03438	39.0
69.07069	21.8
71.05020	8.0
71.08633	5.5
71.56775	4.6
73.02922	33.3
79.05495	74.8
81.03426	29.3
81.07060	94.9
83.04997	9.6
83.08610	10.3
85.02911	59.8
85.06522	4.0
85.12157	3.7
87.04490	6.5
91.03964	33.6
91.05477	50.6
93.07047	73.2
94.88702	4.2
95.04958	12.1
95.08043	6.7
95.08614	74.8
97.02911	53.4
97.06510	7.4
97.10179	9.2
99.04456	7.4
101.02370	9.4
103.03940	9.1
105.07031	42.0
107.04958	9.3
107.08593	47.6
109.02904	7.2
109.06519	5.9
109.10196	26.2
111.04410	6.2
111.08101	6.8
115.05450	4.1
117.07013	21.6
119.08578	36.4
121.06532	8.1
121.10151	37.7
123.11716	15.7
127.03930	21.8
128.06216	4.0
129.05505	9.5
129.07008	16.3
131.08594	36.8
133.06488	7.7
133.10123	24.8
135.08093	5.8
135.11716	27.4
136.99167	4.8
137.09709	3.8
137.13229	4.9
143.08562	12.4
145.04994	7.4
145.10155	30.9
147.08073	7.2
147.11705	16.8
149.09644	5.8
149.13237	15.5
155.08617	5.7
156.08160	3.9
157.10152	9.4
159.08115	6.2
159.11705	21.2
161.13234	14.5
163.14832	13.9
169.10074	5.4
171.08020	7.2
171.11726	12.8
173.13283	18.4
175.11276	4.4
175.14815	10.0
177.16449	4.4
183.11688	6.4
185.13280	7.5
187.14867	6.4
197.13391	4.6
199.11249	4.0
199.14801	6.3
209.13394	4.3
209.15358	4.9
211.14761	5.2
213.16287	4.0
237.16237	5.2
243.21114	13.3
253.00162	3.7
259.20584	7.1
261.22189	38.6
267.21127	4.0
273.22061	5.9
275.23749	7.5
291.23056	5.8
303.23199	21.1
315.23224	9.8
317.24530	8.6
327.23328	6.6
333.24347	4.7
335.25772	60.8
347.25748	6.9
351.23059	7.3
365.26920	7.7
369.24084	19.8
377.26849	6.5
387.25314	13.0
389.26810	7.9
405.26144	7.0
419.27872	15.1
425.27176	5.5
431.27765	14.7
443.28030	49.6
461.29105	28.8
479.29916	28.6
480.27661	5.8
497.19565	11.4
497.31107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05496	1.5
56.96556	0.8
57.03430	0.6
57.07070	0.6
58.14980	0.4
60.04515	0.4
67.05492	1.5
69.03412	1.5
69.90178	2.2
70.06600	1.8
70.25980	0.4
72.08129	0.7
73.02878	0.5
75.94965	0.4
79.05494	1.2
81.03455	0.8
81.07052	1.9
83.04955	1.2
83.08611	0.6
84.08161	1.0
85.02901	1.2
86.09702	2.0
90.14356	0.4
91.05456	1.1
93.07046	1.0
95.04942	0.6
95.08576	1.1
97.02866	1.0
97.06506	0.5
98.97598	0.6
99.00823	0.7
101.00873	1.3
105.07072	1.1
107.04947	0.6
107.08609	1.7
109.06541	1.0
109.10159	1.5
119.01891	0.8
119.08611	0.6
120.08151	0.7
121.10143	1.4
121.48678	0.4
123.11718	0.8
127.03915	0.7
131.00125	0.4
131.08592	0.5
133.10123	1.9
135.08115	0.8
136.06154	0.7
137.04597	2.2
143.01936	1.3
147.04404	0.8
147.11662	0.6
154.25409	0.5
157.03343	0.5
161.02957	1.2
161.09616	0.5
165.12698	0.7
171.06433	0.5
173.13390	0.6
185.04254	0.6
187.00914	0.8
189.09096	0.5
209.15353	0.7
213.40024	0.5
217.56650	0.4
225.09566	0.6
227.05278	1.5
231.13560	0.6
243.10669	0.5
245.06250	2.2
249.14607	1.8
253.44505	0.5
267.14694	0.6
271.04251	2.7
283.08319	0.5
283.15369	0.9
289.05307	7.4
291.14438	1.6
299.15018	1.2
300.15158	3.2
301.16327	0.6
309.15393	1.5
411.19516	4.1
429.19998	0.5
453.20859	12.0
497.19949	100.0
498.20114	1.6
517.15900	0.4
519.17566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01877	4.0
55.05509	16.5
55.09564	3.0
67.05513	34.4
69.07072	27.5
69.62011	4.3
69.62414	15.2
71.05006	4.1
71.08615	3.7
72.08163	15.1
74.80286	3.5
75.02995	2.8
75.33324	2.8
76.15470	2.5
79.05502	34.8
80.52498	2.7
81.03429	3.7
81.07066	36.8
83.04987	7.1
83.08611	12.9
85.06525	3.4
88.74926	2.8
89.06026	9.0
91.05494	31.5
93.07043	50.3
95.04987	16.9
95.08618	25.6
97.06525	6.4
97.10177	8.7
105.07037	28.4
107.04974	18.2
107.08625	17.6
109.06535	7.1
109.10152	12.5
111.08080	3.7
117.07011	6.3
119.08546	23.6
121.10172	22.3
123.08084	5.4
123.11653	3.5
124.93760	4.1
129.07039	4.7
131.08574	10.9
133.10147	22.3
135.08078	16.9
135.11671	6.7
139.11176	12.6
142.26158	3.0
145.10146	12.9
147.11728	8.7
149.09637	15.8
159.11717	9.2
161.09550	3.4
161.13226	3.5
163.11206	13.1
173.09613	4.0
173.11787	3.4
173.13226	4.1
183.11740	3.8
191.14314	3.5
201.12785	3.6
203.12743	4.3
217.14374	34.1
229.19502	3.3
237.14815	4.8
238.75456	3.3
239.17938	9.8
248.82474	3.1
251.16406	4.8
257.18958	13.1
265.91095	3.0
275.20084	100.0
289.21707	6.4
307.22705	73.7
339.29059	4.0
434.38025	3.2
496.24945	10.4
496.41510	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	496.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05510	1.7
57.03441	6.7
58.06605	27.6
59.07389	8.8
60.08170	9.3
67.05183	0.4
67.05503	4.4
69.07040	1.3
71.57032	0.5
73.02886	1.1
75.04488	3.1
79.05499	2.5
81.07076	2.1
83.04955	0.4
83.08619	0.6
84.08145	0.4
85.02907	2.2
87.03989	0.4
87.04472	5.0
91.05463	1.4
93.05463	0.4
93.07043	3.5
95.04966	0.5
95.08625	2.1
97.06486	0.4
102.05534	0.8
103.03929	0.8
105.05478	1.0
105.07017	0.9
106.73593	0.3
107.08568	1.1
109.10176	0.6
110.54935	0.3
113.05997	0.5
119.08585	0.6
121.10163	0.9
123.11697	0.5
124.73199	0.3
131.07082	1.9
131.08467	0.4
133.10100	0.5
135.11641	0.3
136.93117	0.7
144.10217	6.9
152.51819	0.3
154.94127	0.9
159.06534	0.6
162.11278	4.4
172.95226	0.5
200.12834	0.4
210.96741	0.4
218.13980	1.0
236.14940	100.0
237.15337	0.5
434.36172	0.5
455.18982	0.6
473.19962	1.1
478.28308	0.5
478.35336	20.5
496.36374	67.2
497.36761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
57.03430	0.3
57.07076	0.7
58.06639	0.5
60.08164	6.5
67.05503	0.3
69.07072	0.3
69.73482	0.7
70.06609	0.2
70.89722	0.1
71.07375	2.7
71.08633	0.7
79.05470	0.1
81.07062	0.5
83.08622	0.3
85.10189	0.3
86.09707	28.0
87.10045	0.1
95.08588	0.4
98.21443	0.3
98.98464	2.7
104.10748	2.9
125.00006	19.6
138.55855	0.1
145.93378	0.1
166.02646	0.1
184.07341	100.0
185.07607	0.3
258.10944	0.2
298.47382	0.1
302.03217	0.1
311.25684	0.2
313.27283	0.4
473.20288	0.1
478.33002	1.4
496.34030	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	496.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05514	6.1
57.03419	1.4
57.07079	4.1
58.06602	1.5
60.07881	1.1
60.08171	17.7
62.59235	0.8
65.94357	0.7
67.05508	7.8
69.07072	4.7
69.48261	1.2
69.48667	4.7
71.07380	7.6
71.08614	1.7
79.05490	6.4
81.07057	8.7
82.26945	0.9
83.05001	1.2
83.08624	5.1
85.06571	1.2
85.10192	1.8
86.09711	46.4
89.94757	0.7
91.05486	6.6
93.07047	8.8
93.40186	0.8
95.04948	1.2
95.08609	6.9
97.06551	1.7
97.10167	2.4
98.98477	2.7
104.10751	100.0
105.07027	8.1
107.08607	3.1
109.10172	2.4
111.08096	1.2
113.41418	0.7
115.05461	1.2
117.07028	6.7
119.08573	4.1
121.06461	1.2
121.10144	3.2
123.08018	1.6
123.11705	0.8
125.00018	26.0
125.09627	1.5
128.06233	1.8
129.07013	9.2
131.08568	11.6
133.10143	2.1
135.11729	2.1
137.09595	0.9
141.07004	3.2
143.08577	5.2
145.06429	1.3
145.10129	5.3
147.08025	1.4
147.11703	1.3
149.09628	2.4
155.08569	4.3
157.10143	3.3
159.11702	2.3
163.11226	1.1
167.08586	1.3
167.10783	0.9
167.12532	0.8
169.10136	3.3
171.11694	2.9
173.09627	1.2
177.12714	1.4
179.08679	1.0
181.10187	2.6
183.11754	2.9
184.07350	98.2
185.13234	1.0
189.11237	1.2
193.10002	1.5
195.11732	3.1
197.13283	2.1
201.12930	1.2
209.13336	1.8
211.14845	1.5
213.12556	0.8
221.13251	2.5
223.14865	3.4
225.12735	0.9
225.16418	1.1
227.14389	1.1
235.14932	1.9
239.14374	1.0
241.15903	0.9
245.15459	0.9
247.17007	4.3
257.15292	1.3
285.18372	0.9
313.27313	2.7
333.22192	6.3
341.24780	1.6
351.23233	19.9
352.23578	0.9
355.26379	1.5
365.24741	3.4
369.24310	7.7
373.27216	1.2
383.25836	5.5
401.26859	17.7
405.30081	1.7
415.28543	4.9
433.29526	17.6
478.33011	9.3
496.34021	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.02452	0.3
55.05504	0.9
56.05030	0.9
57.03444	0.5
57.07082	2.5
58.06604	1.2
59.07393	0.3
60.08167	16.9
67.05508	1.3
69.07057	0.5
69.57681	1.8
71.07378	6.0
71.08631	1.5
79.05503	0.4
81.07059	1.8
83.08622	1.0
83.39323	0.3
85.10178	0.7
86.09708	47.0
91.05470	0.4
93.07037	0.5
95.08607	1.8
98.20745	0.5
98.98463	3.4
104.10748	100.0
105.07018	0.5
105.11075	0.4
109.10151	0.7
117.07028	0.5
119.08561	0.3
125.00007	26.8
129.06931	0.5
131.08569	1.0
133.10115	0.3
137.56880	0.3
141.36267	0.3
143.01035	0.3
143.08540	0.6
145.10146	0.3
163.01602	0.8
166.06331	0.4
184.07344	90.9
185.07773	0.3
187.11206	0.3
200.74268	0.3
221.13232	0.4
223.14804	0.6
239.81889	0.3
258.11032	0.7
313.27362	2.2
323.23926	0.3
351.23254	1.2
369.24255	0.7
383.25827	0.8
401.26636	1.5
415.28101	0.3
419.25183	0.4
433.29346	1.0
478.32974	8.8
496.33987	41.3
497.34500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00014	0.6
52.88559	0.8
53.00302	1.7
53.03937	1.0
53.20836	0.7
55.01867	1.4
55.05311	0.6
55.05515	7.0
56.05024	2.9
57.03449	3.3
58.06593	1.6
59.04985	1.5
61.02920	1.8
67.05509	5.5
68.05010	1.7
69.03409	1.1
69.07068	1.7
69.48113	1.4
69.48534	3.2
70.06597	5.8
71.04985	1.0
72.08150	0.7
73.02901	0.9
79.05476	3.4
80.05030	0.8
81.03408	2.4
81.07064	8.0
81.54660	0.7
82.06582	6.9
83.04991	1.1
83.08630	7.7
84.08130	2.3
85.02882	2.4
85.06526	1.3
86.06068	6.0
86.09718	1.6
91.03978	1.4
91.05486	9.4
92.37180	0.7
93.06538	0.9
93.07051	8.0
94.06557	2.1
95.04949	3.2
95.08596	2.9
96.08120	1.4
97.02889	3.5
97.06525	1.9
99.00820	12.4
105.07045	7.0
107.04946	3.1
107.08560	3.7
108.08124	4.2
109.02892	8.3
109.06505	1.2
109.10144	2.1
111.04424	1.0
111.08089	2.4
114.04823	1.1
114.05546	13.6
115.03950	1.5
117.06996	2.1
119.04922	1.1
119.08578	5.4
120.08098	4.0
121.06509	4.9
121.10171	0.8
122.09669	1.5
123.04414	1.6
123.08044	1.1
123.11677	1.6
124.07568	2.6
127.03928	1.4
128.06224	0.7
131.00198	0.9
131.08559	0.9
133.06497	1.0
133.10136	24.8
134.09566	1.3
135.08093	1.2
135.11665	0.8
136.06183	5.5
136.11159	0.7
137.05936	1.3
137.09645	1.1
139.07532	1.8
142.08670	1.6
143.08560	1.9
147.04404	1.4
147.08002	1.1
151.11194	5.7
161.09637	13.4
163.11224	0.7
165.09163	0.9
171.08066	3.3
179.10667	7.7
186.07617	1.9
189.09100	7.1
191.14345	1.2
196.65091	0.6
197.11726	2.0
206.15169	0.7
207.10207	3.0
209.15344	1.7
224.16457	15.6
225.11192	13.1
232.17052	1.2
243.12314	4.7
248.16452	2.9
250.18010	2.8
251.94000	0.7
262.18018	1.8
268.10550	0.7
281.13770	3.2
293.22263	2.0
299.14902	100.0
300.14960	0.8
305.22244	1.1
317.15982	2.0
341.70197	0.6
351.22797	0.7
359.19739	1.2
377.20667	5.4
414.23944	1.0
432.24869	2.4
452.27563	9.0
460.24515	1.4
478.25500	16.3
491.09830	0.6
496.18698	1.6
496.26593	5.3
497.20120	3.8
517.16003	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.5
55.01872	12.2
55.05507	26.9
57.03438	31.9
57.07066	5.0
61.02924	53.2
66.35108	4.2
67.05511	67.3
69.03433	37.9
69.07072	16.5
69.98088	15.9
71.01337	9.3
71.04984	11.6
73.02931	33.2
79.05489	60.7
81.03423	24.5
81.07061	59.1
83.04983	12.2
83.08621	19.0
85.02909	54.6
85.06529	4.9
87.04467	6.3
91.03986	30.2
91.05491	67.3
93.07050	86.1
95.04974	18.6
95.08624	52.6
97.02896	42.6
97.06535	7.9
97.10181	5.1
99.04508	8.1
101.02370	9.5
103.03929	8.7
105.07036	83.3
107.04962	19.2
107.08600	46.8
109.02848	5.1
109.06496	9.0
109.10150	20.4
111.04455	6.3
111.08018	4.8
115.05437	6.0
117.07021	34.8
119.08601	60.6
121.06531	13.5
121.10161	35.4
123.11693	4.6
127.03923	11.2
128.06302	4.5
129.05498	7.2
129.07034	30.3
130.07828	6.2
131.08577	56.9
133.06487	9.4
133.10159	39.1
135.08044	10.3
135.11703	26.0
141.06966	13.1
142.07765	6.3
143.08566	29.5
145.06464	8.4
145.10155	49.5
147.08069	10.4
147.11702	31.7
149.09676	8.8
149.13272	12.8
155.07368	4.1
155.08562	16.9
157.10188	21.6
159.08095	14.4
159.11697	33.1
161.13226	25.8
163.11169	5.2
163.14839	9.0
167.08548	5.5
169.10173	18.8
171.08052	7.4
171.11739	31.7
173.09665	7.2
173.13295	17.5
175.14845	6.1
181.10127	7.7
183.11690	11.8
185.13271	25.1
187.11090	5.4
187.14778	7.3
189.12833	6.8
193.10161	5.8
195.11725	7.9
197.09607	6.9
197.13307	12.1
199.14838	6.6
201.12630	5.5
207.11778	5.3
209.13232	6.1
211.14862	6.8
213.12749	6.5
225.16621	5.8
229.16106	8.1
241.19508	9.9
257.19061	5.4
259.20630	28.4
271.20700	8.5
283.20605	9.9
301.21640	11.0
307.20697	5.4
313.21613	10.3
315.23166	7.5
325.21637	9.3
326.97043	4.3
331.22559	7.1
333.24158	46.6
339.23169	9.3
345.24216	8.4
349.21478	10.0
361.23788	10.8
367.22696	26.2
375.25232	17.0
385.23938	12.1
387.25391	10.6
403.24734	11.3
417.26379	12.5
423.24786	6.3
429.26355	13.8
441.26462	43.6
459.27426	34.3
477.28506	40.5
495.23428	6.2
495.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38026	3.6
53.03944	11.3
55.01871	10.9
55.05508	25.8
57.03437	36.5
57.07055	3.9
59.32409	3.5
61.02927	63.1
65.03924	6.0
67.05173	5.4
67.05506	62.7
69.03429	47.7
69.07076	28.4
70.08314	16.0
71.01340	9.8
71.04992	10.3
73.02923	47.5
75.04485	4.4
79.05497	66.5
81.03424	32.6
81.07059	69.3
83.04990	11.9
83.08624	14.2
85.02908	67.6
85.06522	4.8
87.04480	7.6
91.03958	47.1
91.05480	89.2
93.07040	84.4
95.04974	15.5
95.08611	45.9
97.02893	58.1
97.06512	10.4
97.10181	6.2
99.04440	12.4
99.76682	3.6
100.63374	3.5
101.02387	14.2
101.12235	3.8
103.03928	10.1
105.07030	89.2
105.07692	7.3
107.04970	8.3
107.08601	51.6
108.85596	3.3
109.02892	12.4
109.06529	9.7
109.10146	17.3
111.04446	7.5
111.08117	3.8
115.03934	7.1
115.05468	8.7
117.05473	4.2
117.06998	38.6
118.77998	3.7
119.04919	4.7
119.08584	63.2
121.06466	8.7
121.10139	42.0
123.08039	4.8
123.11745	6.0
125.09647	3.7
127.03905	17.0
128.06250	8.0
129.05460	6.4
129.07013	23.6
131.08583	59.7
133.06509	8.9
133.10130	50.8
135.08022	6.4
135.11705	28.0
137.09605	4.7
141.06955	8.5
143.08549	29.2
145.05002	7.7
145.06415	6.0
145.10123	44.8
147.08020	9.6
147.11681	36.0
149.09703	10.4
149.13295	18.7
153.07045	4.6
155.08562	17.7
157.06470	5.0
157.10136	22.7
159.11684	34.6
161.09564	5.7
161.13261	19.4
163.11121	5.3
169.10152	14.6
171.08093	8.5
171.11710	24.1
173.09674	8.0
173.13228	23.2
175.11140	6.1
175.14862	9.8
177.12918	4.2
179.08577	5.5
181.10168	11.0
183.08060	4.4
183.11726	12.1
185.09740	4.4
185.13280	18.7
187.11142	9.6
187.14857	5.8
189.12691	5.9
195.11728	7.8
197.09604	5.0
197.13234	14.2
199.14784	9.4
201.12798	6.9
209.13322	7.0
211.11201	5.8
211.14825	4.8
213.12813	7.0
227.14325	3.9
241.19528	15.9
257.19119	5.5
259.20566	25.6
271.20630	8.0
273.22217	6.7
275.20084	6.1
277.21713	7.0
283.20718	7.0
287.20203	4.5
295.20612	5.1
301.21533	19.0
313.21658	11.6
315.23087	9.7
321.22305	6.2
325.21643	11.0
331.22943	5.1
333.24222	70.8
339.23303	6.7
343.22714	10.1
345.24344	9.4
347.08310	4.0
349.21429	10.6
361.23480	8.0
363.25302	10.9
367.22739	21.6
375.25226	15.4
385.23569	14.8
387.25375	8.1
399.25449	5.3
403.24768	8.7
405.26505	4.6
417.26111	9.5
429.26175	12.1
441.26349	48.1
444.06024	4.3
459.27335	42.1
477.28827	35.4
495.29507	100.0
496.56482	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03181	2.0
53.03949	6.5
55.01875	7.4
55.05515	21.0
55.24523	1.7
56.96575	4.9
57.03442	22.2
57.07072	3.8
59.05036	2.1
61.02930	26.7
61.45334	2.0
62.20764	1.9
65.03937	3.9
65.23727	2.0
67.05509	48.1
67.05867	2.6
69.03438	22.3
69.07072	20.6
71.01364	3.9
71.04994	6.5
71.08664	2.3
71.28478	4.4
71.39565	1.8
73.02926	17.8
79.05499	56.0
80.91769	1.9
81.03426	25.9
81.07060	49.8
83.04997	10.2
83.08614	11.9
85.02915	31.3
85.06557	3.1
87.04441	1.8
91.03976	11.1
91.05484	54.8
93.07051	52.3
93.63840	2.0
95.04961	14.8
95.08619	42.0
97.02898	20.7
97.06554	6.3
97.10186	6.7
97.83560	2.2
98.97601	3.0
99.04479	4.2
99.08138	2.1
101.02396	4.1
101.06039	2.6
103.04010	4.3
103.05482	2.1
105.07034	62.3
107.04948	14.3
107.08597	31.1
109.02888	4.3
109.06546	9.9
109.10139	12.4
111.04481	5.9
111.08104	4.8
115.03989	2.6
115.05470	5.4
117.07027	33.0
119.04964	2.9
119.08584	44.2
121.06533	9.4
121.10152	22.1
123.08094	7.5
123.11729	4.3
125.09668	3.7
126.84997	2.0
127.03965	5.7
128.06287	9.2
129.05518	4.5
129.07008	26.6
129.07758	2.1
130.07771	3.8
131.04984	5.3
131.08578	46.1
131.09509	3.0
133.06485	6.5
133.10136	31.5
135.08092	8.4
135.11702	16.0
137.09647	4.8
141.07051	8.5
142.07845	6.1
143.08562	30.6
143.09563	2.7
144.09369	2.7
145.04974	2.7
145.06531	9.0
145.10136	37.3
147.08057	10.1
147.11684	24.9
147.12610	2.1
149.09683	8.6
149.13310	8.1
151.07510	2.7
153.06982	3.1
155.08595	20.7
156.01189	1.9
156.09419	3.7
157.06557	7.3
157.10141	25.5
159.08031	12.5
159.11693	29.6
159.12823	2.4
161.09674	7.1
161.13239	12.1
163.11267	5.1
165.07008	3.3
166.07838	4.6
167.08630	8.8
168.09435	2.3
169.10129	15.4
171.08047	9.8
171.11676	19.9
173.09683	8.0
173.13243	16.1
175.11278	8.3
175.14865	4.7
177.12833	3.6
179.08612	3.2
181.10138	10.2
183.06606	2.6
183.08148	6.6
183.11655	10.9
185.09694	8.3
185.13260	17.6
187.11276	7.5
187.14900	7.0
189.00708	2.5
189.09114	2.2
189.12766	5.1
193.10239	3.5
195.08141	2.6
195.10071	4.4
195.11813	8.6
197.09711	3.7
197.13313	11.0
199.11266	5.5
199.14919	7.5
201.12852	5.6
201.16412	2.8
207.11797	3.6
209.09703	2.8
209.13379	5.1
211.11313	4.4
211.14893	4.9
213.12851	6.2
215.14392	4.3
217.12283	2.6
219.11754	2.4
219.14001	2.4
223.11357	3.2
223.14935	4.4
225.12830	4.3
227.14502	4.1
229.15915	2.2
237.12833	2.4
237.16519	2.4
241.19617	7.3
251.14536	2.2
251.17998	3.6
257.19238	6.2
259.20651	12.7
269.19052	4.1
271.20743	6.7
273.22321	3.8
275.20044	3.5
277.21835	4.7
283.20737	5.6
285.19028	2.3
285.22116	4.5
287.20087	3.4
289.21701	3.0
295.20679	3.7
297.22134	4.0
299.20016	2.6
301.21725	10.4
307.20627	2.7
313.21817	8.2
315.23486	3.9
325.21600	10.3
329.21100	3.6
331.22729	3.9
333.24298	19.0
337.21371	2.6
339.23282	7.6
343.22882	5.7
345.24402	6.1
349.17526	3.9
349.21893	9.5
351.25473	2.5
357.24280	4.5
361.23660	9.9
363.25507	7.1
365.15659	2.6
367.22653	19.2
373.23898	3.7
375.25427	14.6
385.23749	14.3
387.25616	9.1
389.27411	2.4
399.25485	3.4
403.24911	7.0
405.26489	7.0
417.26581	14.0
423.25510	3.3
429.26361	14.5
441.26410	44.4
459.27350	36.1
477.28555	49.1
495.29794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01863	6.2
55.05515	23.5
56.96560	5.0
57.03444	23.7
57.07081	3.8
61.02925	29.8
65.03956	4.5
67.05509	41.1
69.03427	25.8
69.07064	22.8
71.01360	6.4
71.05002	7.1
73.02927	18.8
75.04488	3.9
79.05501	42.9
81.03410	24.7
81.07065	48.9
83.04993	9.5
83.08615	11.2
85.02915	31.3
85.06545	3.1
91.03976	14.6
91.05489	57.5
93.07046	42.7
95.04974	14.2
95.08613	30.1
97.02907	28.5
97.06548	8.1
97.10149	6.2
98.97580	5.3
99.04433	4.3
101.02374	5.0
103.03960	6.6
105.07035	58.4
107.04953	11.4
107.08604	33.2
109.02857	7.3
109.06517	7.1
109.10149	17.1
111.04433	7.4
111.08072	4.8
115.05492	4.8
116.06277	2.8
117.07030	30.0
119.08593	43.6
119.09367	4.3
121.06482	4.9
121.10153	25.9
123.08086	5.5
123.11675	4.2
125.09602	4.4
127.03936	4.9
128.06285	8.8
129.05516	5.4
129.07016	30.9
130.07803	4.2
131.00334	3.5
131.08562	44.0
132.09369	3.7
133.06497	6.7
133.10136	34.2
135.08086	7.5
135.11661	13.2
137.09673	5.0
139.11143	3.0
141.07001	9.4
142.07782	6.2
143.08537	27.2
145.05002	3.3
145.06520	9.8
145.10144	36.2
147.08043	7.2
147.11679	20.6
149.06029	3.8
149.09608	7.7
149.13297	10.1
153.05496	2.7
153.07117	3.9
154.07710	3.3
155.08578	16.4
156.32634	2.7
157.06505	5.4
157.10086	20.1
158.07368	2.9
159.08090	9.7
159.11725	22.9
161.09650	4.9
161.13286	12.6
163.11240	5.2
165.07141	3.7
166.07797	2.9
167.08575	6.6
169.10156	12.4
171.08060	7.6
171.11688	18.7
173.09663	8.4
173.13220	15.9
175.11221	5.9
175.14847	5.6
177.12761	2.8
179.08583	3.6
181.10133	10.2
183.08081	5.7
183.11780	11.8
185.09705	7.2
185.13274	15.4
187.11176	7.5
187.14894	7.0
190.47392	3.4
191.10706	4.0
193.12360	4.8
195.11778	5.9
197.09631	4.7
197.13289	5.8
199.11316	4.6
199.14839	6.8
201.12775	5.5
204.12666	2.6
207.11638	3.4
209.13306	5.5
211.11252	4.6
213.12885	3.8
223.14989	4.5
227.14650	3.4
236.52304	2.8
239.14198	3.0
241.19453	6.5
259.20676	11.1
267.09195	10.3
269.10675	6.7
271.20691	9.9
273.22177	3.1
275.20129	4.2
283.20581	4.6
285.10126	7.4
289.21896	3.8
299.11670	6.3
301.21704	8.8
307.20685	3.3
313.21631	10.5
315.10828	2.9
315.23395	3.5
316.11844	6.5
321.22180	6.3
325.21786	9.8
333.24179	21.7
337.21689	3.9
339.23227	5.3
343.22839	7.2
349.17191	5.5
349.21808	11.5
361.23801	4.8
363.25595	5.5
367.18149	5.6
367.22809	19.2
375.25357	10.2
385.24014	11.6
387.25342	8.1
399.25107	4.6
403.24915	9.8
405.26453	6.0
417.26505	10.8
421.18167	7.2
421.26230	4.6
423.25302	4.9
429.26346	18.0
437.19876	3.5
441.26401	37.4
459.27396	33.0
477.28418	43.3
495.29633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50818	0.4
56.96568	37.3
68.28662	0.4
69.99240	0.9
69.99633	0.8
70.98090	0.4
71.95268	5.1
71.95864	0.4
72.96060	4.1
74.97598	0.6
84.96028	1.9
97.96818	1.0
105.00132	0.8
110.97562	1.3
115.00691	0.8
119.01707	1.3
123.01175	0.4
127.00722	0.8
128.98586	0.9
137.02769	2.3
139.00670	1.5
139.17892	0.5
141.02223	2.4
145.01740	0.5
151.00655	0.6
151.04276	0.7
153.02217	1.6
155.03796	1.4
157.01714	1.2
159.03305	1.5
165.02156	0.5
167.03809	1.3
169.01680	0.5
169.05348	0.5
171.03288	2.5
173.04918	0.7
175.02838	0.8
181.01639	0.6
181.05298	0.7
185.01195	1.1
185.04865	2.1
189.04305	1.5
189.36914	0.5
195.06888	0.6
199.02782	1.7
199.06403	1.4
203.02206	0.6
203.05865	1.5
211.06409	1.8
213.08107	0.9
217.03827	1.2
217.07439	0.9
219.06978	0.5
221.08559	0.8
223.06573	0.5
223.10013	10.2
229.07431	0.6
231.06891	0.6
237.08018	1.6
239.09499	0.8
241.11122	100.0
242.11458	0.5
249.07968	2.2
255.09079	0.8
259.12189	74.6
260.12387	0.6
264.12720	6.8
267.09033	19.0
282.13763	3.0
285.10098	72.4
286.10443	0.7
303.11169	34.1
308.11707	5.0
326.12573	2.3
451.23807	0.9
477.21622	2.4
495.22684	84.7
496.23175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35268	0.5
55.01881	0.7
55.05300	0.6
55.05513	6.5
56.05024	2.3
57.03434	2.9
59.04982	0.6
60.04528	17.2
61.02913	1.1
65.03926	0.8
67.05505	6.7
68.05029	1.9
69.03073	1.0
69.03431	13.4
69.07066	3.1
69.35701	0.5
69.62363	2.3
69.62789	1.3
70.06594	4.1
71.04985	2.3
72.04509	1.9
72.08131	0.8
73.02921	2.9
74.06055	1.2
79.05492	3.7
80.04564	0.9
80.05016	12.1
81.03425	1.4
81.07056	6.8
82.06587	3.3
83.04481	1.2
83.04979	19.3
83.08617	1.5
84.04495	1.5
84.08134	1.6
85.02905	6.0
86.06073	1.3
86.09702	2.5
87.04473	1.5
90.05547	2.2
91.05484	2.0
92.05012	0.7
93.07037	4.3
94.06570	13.9
95.08611	5.4
96.04493	1.1
96.08121	1.3
97.02884	1.2
98.06034	2.3
98.21482	1.2
99.04453	1.6
102.05473	0.6
105.07034	1.4
106.06519	0.8
107.08604	1.8
108.08115	1.7
109.10165	2.2
110.06049	1.2
110.09699	0.7
111.04443	3.6
111.08070	0.9
114.05549	1.0
116.07112	1.4
117.07067	0.6
119.08604	0.9
120.08110	3.0
121.10143	1.7
122.09653	1.2
124.07559	0.7
124.11197	0.7
127.03892	0.5
129.05469	6.0
129.10292	0.7
131.08475	0.9
132.06549	4.3
133.10121	1.0
134.09628	0.9
135.11633	1.3
136.07520	0.6
147.04337	0.8
147.07629	0.9
148.11214	0.9
171.28072	0.5
189.92177	0.6
211.17088	0.6
224.20052	0.8
226.21524	0.9
238.21683	3.2
256.22794	3.7
258.22208	0.7
262.21713	0.8
263.40454	0.6
264.23178	2.2
276.23209	6.0
278.20947	0.6
282.24332	0.7
290.21167	0.8
294.24268	6.4
298.23593	1.0
312.25357	8.5
314.23315	0.7
316.24664	1.2
326.23297	1.2
328.24963	3.3
330.26385	68.7
331.26447	1.0
344.24292	1.6
346.25867	2.7
347.26187	1.6
348.27435	100.0
354.26389	1.1
362.25269	1.8
372.27359	1.4
390.28323	1.7
476.28152	6.7
494.33533	77.3
495.17755	0.8
495.33109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	21.0
56.07880	2.2
57.03435	7.2
57.07082	12.5
60.08155	5.0
61.02916	7.5
64.08718	2.3
66.91711	2.1
67.05502	36.4
69.07067	37.1
71.07359	3.4
71.08614	5.8
71.57285	2.9
75.41878	2.3
76.63212	2.1
79.05492	24.2
81.07057	44.4
83.04961	3.2
83.08619	32.7
85.02895	7.8
85.06583	2.5
85.10179	2.9
86.09710	28.6
86.24590	2.3
91.03957	4.4
91.05464	3.3
93.07045	32.2
95.08607	24.8
97.06541	21.2
97.10178	15.6
101.02370	2.1
101.09669	3.0
104.10748	34.3
105.07024	5.3
105.36343	2.5
105.91969	2.1
107.08589	31.7
109.10172	24.0
111.08101	9.8
111.11739	2.6
121.10149	62.5
123.11727	24.0
124.99995	16.0
125.09635	5.2
129.09113	4.3
135.11700	43.2
137.13330	2.2
139.11205	5.4
149.13280	16.8
153.12738	3.1
163.14815	6.2
184.07350	79.0
205.19516	72.1
223.20584	100.0
227.57567	2.3
237.07300	2.2
241.19086	3.0
241.21620	53.9
276.21051	2.6
297.24295	48.0
297.27499	4.9
315.25305	67.1
459.29590	5.5
494.32413	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	494.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01822	0.9
55.05515	4.1
56.05010	1.1
57.03434	3.0
57.07038	1.0
58.06562	0.6
60.04533	9.6
61.02929	2.6
67.05508	5.3
68.04983	1.8
69.03436	9.2
69.07072	4.2
69.89486	1.2
69.89875	0.9
70.06552	2.2
71.04993	2.4
72.04477	1.6
73.02866	1.7
75.06148	0.5
79.05501	3.0
80.05019	8.7
81.03415	3.7
81.07057	6.5
82.06596	3.0
83.04942	1.0
84.04444	0.8
84.08096	0.8
85.02905	19.1
86.06046	0.8
87.04419	1.6
90.05537	0.8
91.03938	0.7
91.05440	0.8
93.07051	2.5
94.06568	5.5
95.08617	6.1
96.08092	1.1
97.02894	5.8
97.06477	0.7
97.10161	1.2
98.06014	2.1
98.20824	0.7
99.04405	1.4
100.07644	0.5
105.06989	0.5
107.08548	2.2
109.02885	2.6
109.10165	3.0
112.07500	0.5
116.07055	1.4
119.65563	0.5
120.08050	0.6
121.10120	1.3
123.11717	0.9
123.13770	0.5
124.07532	0.9
124.69695	0.5
127.03925	3.4
132.06532	1.7
134.09692	0.7
135.11705	0.9
145.04895	1.8
157.80519	0.5
210.22142	1.5
211.16776	0.5
222.22183	2.6
228.23233	1.4
236.23666	0.5
240.23239	15.4
241.04800	0.5
242.76273	0.5
248.23804	1.8
258.24301	14.0
260.23672	1.4
266.24841	1.5
278.17041	0.5
278.24805	8.4
296.25854	12.5
314.26901	25.2
332.27951	100.0
333.28464	0.6
374.29095	1.7
476.32245	1.5
494.33270	98.6
495.33539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.05026	0.4
57.03429	0.3
57.07064	0.7
60.07887	0.4
60.08171	6.4
67.05503	0.7
69.07059	0.8
70.06575	0.6
70.68270	0.7
71.07379	2.9
81.07056	0.7
86.09711	27.4
88.07633	1.0
93.07057	0.5
95.08626	0.6
98.98473	3.0
102.09174	0.5
104.10756	3.2
109.10154	0.3
125.00011	18.2
131.76521	0.3
136.93111	0.5
138.77574	0.3
149.02354	2.8
154.94142	0.5
170.96597	0.3
172.95193	0.6
184.07347	100.0
193.04962	2.5
237.07616	2.6
284.29562	2.2
328.31989	0.4
337.62558	0.3
353.36496	0.4
448.30591	0.3
453.16736	0.3
471.11929	0.4
471.18405	0.7
474.66867	0.3
476.31326	1.5
494.34576	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	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82587	0.3
55.05513	1.2
56.05030	0.5
57.03416	0.4
57.07072	0.6
58.06374	0.3
58.06624	0.6
60.07883	0.5
60.08166	6.0
67.05490	0.7
68.73375	0.3
69.07072	1.4
71.07375	2.9
71.08612	0.3
71.57300	0.4
81.07053	0.9
83.08618	1.0
86.09709	29.1
93.07014	0.4
95.08604	0.6
97.10165	0.5
98.98470	2.4
104.10744	4.5
105.07024	0.3
107.08605	0.5
121.10139	0.5
125.00009	20.7
135.11729	0.4
142.39777	0.3
184.07346	100.0
185.07774	0.4
205.19583	0.4
223.20479	0.4
230.92410	0.3
236.94113	0.4
254.95137	0.7
297.24243	0.3
311.25806	1.6
315.25208	0.3
332.69870	0.3
335.26010	0.4
337.26575	0.3
348.99130	0.3
476.31430	1.9
494.32629	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	494.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01861	2.5
55.05503	2.4
56.05027	2.4
57.03433	3.4
59.25917	0.7
60.04528	5.4
61.02917	2.9
62.37146	0.8
63.91963	0.8
64.20549	0.7
67.05517	4.7
68.05036	0.8
69.03434	12.0
69.07053	3.0
70.06603	7.3
70.95538	1.6
71.04996	7.5
72.04515	1.4
72.08154	1.9
73.02921	2.0
79.05489	3.9
80.05019	6.4
81.03419	6.1
81.07048	6.2
82.06566	4.8
82.35935	0.8
83.08610	0.9
84.04520	1.3
84.08112	2.0
85.02909	18.7
86.06070	0.9
86.09711	1.2
87.04465	2.5
89.95222	0.8
91.05464	4.6
93.07056	3.8
94.06577	7.6
95.04929	1.1
95.08617	6.2
96.08137	2.7
97.02918	5.8
97.06544	12.5
98.06062	2.3
99.04434	1.9
105.07033	2.0
106.06588	1.0
107.08598	2.4
108.08141	1.7
109.02905	2.5
109.10163	1.1
117.06989	1.0
119.08574	2.7
120.08095	3.1
121.10160	2.8
123.08091	1.7
127.03889	2.2
131.08559	2.1
133.10158	1.5
134.09647	2.0
138.12773	2.0
145.04907	1.1
145.10039	1.3
161.13277	0.8
165.12741	5.2
180.13808	1.4
201.24306	1.0
210.18639	1.4
212.20271	0.9
217.70525	0.9
222.18536	37.0
223.16872	0.9
223.59521	0.7
240.19595	30.8
248.20117	3.3
250.21687	2.0
258.68628	1.0
260.20087	8.5
278.21198	9.9
296.22250	7.6
314.23273	77.2
315.23730	1.3
332.24316	54.3
336.32166	0.8
356.24289	1.0
440.26813	0.9
476.28677	32.6
494.29660	100.0
495.30179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01861	2.2
55.05513	1.5
56.05027	1.4
57.03437	2.8
60.04527	11.6
61.02937	2.8
64.21224	0.6
67.05514	4.0
68.05040	1.1
69.03430	9.5
69.07071	1.6
69.84494	1.0
69.84899	2.7
70.06596	2.9
70.53236	0.6
71.01335	0.6
71.04994	5.7
72.04510	1.6
72.12424	0.6
73.02921	2.0
74.06097	0.6
75.15987	0.6
79.05492	2.5
80.05024	6.4
81.03421	5.2
81.07056	4.0
82.06586	5.5
84.04521	0.6
84.08150	1.1
85.02905	12.0
85.06520	0.8
86.06071	0.8
87.04459	2.2
90.05600	1.0
90.85112	0.6
91.03953	0.9
91.05467	2.3
93.07037	3.0
94.06564	7.7
95.04948	0.6
95.08604	3.0
96.08157	1.6
97.02896	5.0
97.06528	7.3
98.06068	1.5
99.04438	1.1
105.07043	1.0
107.08603	2.0
108.08125	2.0
109.02864	1.4
116.07105	0.8
119.08572	0.8
120.08111	1.6
121.10150	1.1
122.09669	0.8
123.08115	0.6
127.03924	2.9
133.10136	1.2
134.09695	0.9
135.11748	0.6
136.07552	0.8
138.12804	0.8
145.04932	1.1
145.10077	1.3
147.04378	1.1
147.10474	0.6
148.11234	0.6
165.12781	1.5
176.14410	0.7
210.18594	2.0
222.18539	9.3
232.20526	1.0
234.18787	0.7
240.19611	7.7
248.20193	2.8
250.21648	1.7
260.20099	8.8
275.61813	0.6
278.21127	6.7
296.22226	4.7
314.23251	65.5
324.11462	0.7
332.24313	54.6
374.25427	0.7
476.28372	2.5
494.29630	100.0
495.30099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89851	2.5
55.05509	5.6
56.28749	2.8
57.03450	4.6
57.07079	42.1
61.02916	3.9
67.05515	18.6
69.07079	13.9
71.08293	3.5
71.08643	38.3
79.05484	5.0
81.07058	23.9
83.08627	12.9
85.10194	15.7
87.91235	2.7
91.05494	3.7
93.07063	5.5
95.08618	42.3
97.10168	7.5
107.08570	3.5
109.10165	15.8
113.00014	5.4
123.11727	8.7
124.30339	2.9
135.11685	4.2
137.13232	3.2
147.03056	2.8
148.07175	2.6
149.01183	4.2
160.02000	2.7
201.12193	2.9
209.11496	6.8
239.23740	32.0
257.24786	4.5
313.27374	100.0
331.28513	4.5
335.25931	3.6
336.26166	12.5
347.17188	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.0
55.01861	10.2
55.05310	4.1
55.05517	39.5
56.96550	3.1
57.03436	7.0
59.05008	3.7
62.06102	2.8
65.03944	2.8
67.05508	84.5
69.03421	4.3
69.07072	36.3
70.12871	2.4
70.73381	5.3
71.04984	9.1
73.06569	2.8
76.05913	2.6
79.05064	4.9
79.05496	76.9
81.03424	7.1
81.07060	87.2
83.04987	8.6
83.08618	32.8
85.06525	9.0
91.05488	100.0
93.07048	76.1
95.04978	18.9
95.08061	3.2
95.08621	50.7
97.06528	11.6
97.10170	12.2
99.08098	6.1
103.05448	7.4
105.04530	3.0
105.07034	78.3
107.04970	11.5
107.08588	38.1
109.06534	13.4
109.10179	15.4
111.08069	8.3
115.05457	11.0
117.07029	62.1
119.04989	2.9
119.08594	35.1
121.06502	11.4
121.10137	19.2
123.08060	9.3
125.09631	12.2
128.06244	17.4
129.07013	71.5
131.08578	97.6
133.06502	10.9
133.10138	29.0
135.08067	9.5
135.11684	8.1
137.09631	6.5
139.11133	3.6
141.06993	27.8
142.07823	5.8
143.08568	59.6
143.17986	2.8
145.06470	10.2
145.10146	36.2
147.08058	11.1
147.11676	9.6
149.09604	12.2
149.13261	5.9
151.11176	3.2
153.07037	5.7
154.07787	5.5
155.08553	48.3
157.06454	3.3
157.10138	39.4
159.08060	11.7
159.11676	25.0
161.09602	10.4
161.13263	6.9
163.11195	10.1
165.07005	7.5
167.08562	20.6
169.10144	29.9
171.08043	7.4
171.11668	21.1
173.09627	7.0
173.13280	7.4
175.11201	9.4
177.12740	14.1
179.08557	8.9
181.10120	25.9
183.11716	14.6
185.09685	3.8
185.13275	14.3
187.11235	6.0
187.14816	3.9
189.11296	4.2
191.08537	3.6
193.10130	9.7
193.12227	4.0
195.11736	26.3
195.13535	4.9
197.13235	17.0
199.11099	7.0
199.14841	6.4
201.12773	5.7
203.12743	4.0
205.12106	4.2
207.11708	12.1
209.13260	12.3
211.11279	3.1
211.14833	9.7
213.12761	6.8
213.16411	5.5
215.14395	7.1
219.13823	3.6
221.13281	18.8
223.14890	20.1
225.16414	6.4
227.14436	3.8
231.13776	3.7
233.13293	4.8
235.14900	11.8
239.14328	9.2
241.15913	6.4
243.13831	5.7
243.17700	3.0
247.16985	12.5
249.16422	3.8
253.15939	10.6
254.28371	2.8
257.15384	6.4
271.16949	6.9
285.18616	4.2
305.22656	6.0
315.20969	8.7
322.27515	18.8
323.23703	9.5
333.22052	30.6
341.24661	11.7
351.23190	89.9
365.24774	4.5
369.19995	5.0
369.24280	60.4
373.27408	5.9
383.25891	10.4
387.25262	11.1
401.26895	48.6
443.27921	13.7
461.28946	5.9
475.31149	44.3
493.26898	44.2
494.28513	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	493.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.0
55.01876	14.2
55.05515	20.2
56.96545	3.3
57.03443	10.9
60.81338	2.2
65.03918	4.5
67.05505	55.8
67.30475	2.2
69.03426	11.8
69.07071	17.5
69.99355	3.1
70.06596	2.4
70.95492	4.7
70.95853	2.7
71.04981	7.3
73.02914	3.5
79.05495	46.2
81.03422	100.0
81.07059	58.7
83.04983	25.1
83.08616	25.3
85.02892	8.3
85.06534	4.4
87.04487	2.4
91.05481	48.4
93.07053	49.5
95.04974	35.7
95.08619	32.6
95.59856	2.0
96.08953	3.1
96.13155	2.2
97.02890	9.1
97.06536	11.7
97.10152	6.3
98.97617	3.2
99.04456	6.0
99.08102	3.1
103.05466	4.7
105.07036	37.7
107.04958	17.7
107.08582	24.4
109.02855	3.8
109.06512	6.6
109.10156	20.2
111.04461	33.2
111.08100	17.1
115.05414	4.2
115.62663	2.3
117.07033	12.2
119.08574	24.8
121.06513	9.9
121.10152	27.6
123.04369	2.4
123.08076	5.5
123.11723	6.7
125.09657	2.8
127.03899	3.8
128.06236	4.4
129.07014	19.5
131.04839	2.3
131.08572	25.1
133.06479	8.1
133.10136	9.4
135.08043	4.2
135.11714	22.1
137.05940	3.7
137.09589	3.0
137.13213	3.0
141.06970	3.9
142.07764	3.9
143.08578	4.1
145.06490	7.1
145.10124	23.1
147.04401	5.8
147.08044	7.4
147.11714	13.3
149.09604	8.2
151.07532	23.2
153.12759	15.3
155.08630	5.3
157.10193	12.7
159.08128	4.0
159.11700	6.3
161.05989	3.2
161.09633	3.1
163.11188	32.2
166.20343	2.2
169.10193	6.3
171.06607	2.2
171.08090	2.9
171.11749	2.8
173.09604	13.7
175.11131	12.8
175.76476	2.2
181.12270	27.5
185.09636	3.1
185.13231	2.4
191.10666	25.9
193.12248	29.8
199.11200	3.3
201.12785	4.7
201.42107	2.3
203.14340	3.3
205.12297	3.4
207.14005	2.4
209.11763	9.8
211.13324	4.0
213.12831	2.7
218.84679	2.3
224.07990	2.7
227.12714	25.5
241.12216	2.6
249.14830	5.9
250.09698	3.8
265.14371	8.5
267.15930	9.4
283.15396	27.4
315.19540	2.6
337.21310	2.9
355.22809	4.6
365.21167	3.7
373.23816	3.3
383.22125	6.7
384.01892	2.3
401.23392	7.3
411.28851	3.5
429.29871	4.5
447.27267	5.7
457.25980	7.6
475.26865	24.1
493.27914	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.9
58.74705	1.4
62.98257	2.6
67.05486	3.4
69.07066	2.7
71.08614	1.5
81.07040	3.0
91.05430	2.0
95.08580	1.5
97.10148	1.4
105.07025	1.8
113.00010	1.7
121.10189	1.7
123.81048	1.2
124.93774	22.1
133.10120	1.5
153.01622	12.4
156.96394	30.8
180.11053	1.5
191.65645	1.3
195.08322	2.2
195.09952	26.1
195.11702	1.0
206.12735	3.5
209.11496	100.0
212.98996	3.9
220.14334	3.4
235.13042	43.5
237.14412	1.4
249.14653	25.4
251.12604	1.6
265.14078	3.7
309.13147	1.6
311.25726	1.5
325.20786	1.5
337.27411	2.8
408.71426	1.3
461.20218	5.3
493.22778	74.9
493.27875	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	492.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.5
55.01811	1.2
55.02039	0.6
55.05438	4.4
56.04964	1.8
56.05209	0.6
57.03358	2.8
60.04451	10.6
60.04776	1.5
61.02870	0.7
67.05424	4.4
68.04980	1.0
69.03347	8.1
69.06998	1.6
70.06519	2.4
70.06876	1.0
70.81006	1.4
71.04904	1.9
72.04464	1.1
72.08105	0.9
73.02849	1.0
74.06014	1.1
75.04417	0.7
79.05417	3.0
80.04932	8.7
80.05440	1.0
81.03339	1.1
81.06973	3.6
82.06493	3.9
83.04894	10.5
83.08550	0.8
84.04419	1.6
84.08070	1.5
85.02818	4.7
85.06471	1.3
86.09620	1.0
87.04407	1.1
90.05468	1.0
91.05399	1.4
93.06959	2.9
94.06583	9.6
95.04900	0.8
95.08512	3.4
96.08035	1.6
97.06478	0.8
98.05990	1.7
99.04405	1.2
105.06954	1.0
106.06485	1.2
107.08502	1.5
108.08044	1.2
109.10100	1.3
110.09560	0.6
111.04341	2.3
111.05017	0.5
111.08010	1.4
113.02954	0.5
116.07016	1.1
119.04810	0.5
119.08524	1.4
120.08099	2.5
121.10033	1.7
129.05533	2.9
131.08514	1.1
133.10045	1.8
134.09639	1.2
135.11668	0.7
145.10033	0.7
147.04358	1.0
147.11626	0.7
148.04803	0.5
154.10887	0.6
155.12987	0.7
155.17210	0.7
159.11584	0.5
175.14735	1.6
178.15799	0.7
179.14253	1.1
206.15337	1.1
208.16859	0.6
218.11694	0.5
224.20110	2.8
236.20158	4.6
244.20526	1.7
246.18497	0.7
248.19949	0.7
254.21196	5.6
262.21594	2.1
264.19629	0.6
264.23230	1.0
274.18890	0.6
274.21649	6.5
276.23123	0.7
280.22787	0.6
292.22736	8.2
294.24319	0.8
300.21844	0.7
310.23740	3.9
312.25327	2.0
327.26434	1.6
328.24802	33.8
330.26425	4.6
346.25919	100.0
347.26254	1.6
353.24451	0.9
354.24646	2.5
370.25766	1.3
388.26801	1.9
414.53485	0.6
451.72708	0.6
456.29581	0.7
474.31125	2.5
492.31830	80.2
493.32275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3169
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
53.03919	1.8
53.04136	0.4
54.46688	0.4
54.81076	0.4
55.01849	0.8
55.05522	2.7
55.40307	0.4
56.05011	1.9
57.03444	2.9
57.07052	0.6
58.06581	0.5
60.04529	14.5
61.02925	3.5
65.03922	0.5
67.05509	6.7
68.05004	1.9
69.03437	12.2
69.07079	2.1
69.28873	0.8
69.29282	3.0
70.06593	0.9
71.04962	1.3
72.04527	2.1
73.02921	2.1
74.06057	0.4
79.05500	4.4
80.05019	6.4
81.03421	4.6
81.06652	0.5
81.07055	6.3
82.06586	2.7
83.08605	1.4
84.04510	0.6
84.08134	0.7
85.02908	18.9
86.06044	1.2
87.04475	2.8
90.05566	0.7
91.03941	0.9
91.05495	2.4
93.07047	3.3
94.06008	0.6
94.06566	6.3
95.04942	0.8
95.08609	5.2
96.04478	1.2
96.08113	0.9
97.02903	7.0
98.06057	2.4
99.04419	1.9
100.07626	0.5
105.07002	1.6
106.06529	0.6
107.08538	1.3
108.08113	0.8
109.02864	2.7
109.10167	2.1
110.06049	3.3
112.07587	0.8
114.05501	1.3
115.03920	0.5
116.07088	1.0
117.43749	0.4
119.08566	1.0
120.08105	1.3
121.10155	1.2
123.11667	0.7
124.07545	0.8
124.11134	0.4
127.03944	4.2
128.07057	1.0
131.08603	0.5
132.06566	3.8
133.10161	0.8
134.09622	0.8
135.11674	0.5
138.09120	0.7
145.04918	1.7
176.09267	0.4
204.74019	0.4
211.17711	0.4
220.20584	0.8
226.21652	1.7
238.21640	5.8
250.21550	0.6
252.23134	0.6
256.22726	10.4
264.23181	1.2
276.23227	4.1
294.24329	5.7
312.25333	9.4
330.26398	100.0
331.26700	1.2
353.35794	0.5
354.26404	0.7
372.27332	1.4
374.17416	0.5
469.99686	0.4
474.30496	1.6
481.03983	0.5
492.31689	100.0
493.31854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3171
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
53.03935	1.4
55.01852	0.8
55.05493	1.3
56.05009	1.5
57.03452	2.9
57.07081	12.7
58.06590	1.4
60.04531	5.9
61.02898	2.3
61.03173	0.5
63.95347	0.6
67.05519	3.8
68.05009	2.0
69.03439	9.6
69.07050	2.2
70.06601	6.2
70.28045	2.5
71.04974	1.7
72.04515	1.2
73.02912	1.6
79.05471	2.6
80.04985	2.6
81.03425	3.2
81.07072	6.0
82.06557	1.7
83.04975	0.8
83.08601	0.8
84.04482	0.6
84.08146	0.9
85.02917	13.7
85.06093	0.8
85.06554	11.0
86.06074	0.6
87.04469	1.4
90.05563	0.9
91.03932	0.6
91.05462	1.2
93.07060	3.9
94.06037	0.6
94.06578	9.8
95.08614	3.4
95.75466	0.5
97.02380	0.6
97.02894	6.9
97.06537	0.6
97.10175	0.9
98.06033	1.9
99.04459	1.2
105.06973	0.6
107.08567	1.6
109.02866	1.9
109.10133	2.1
113.09619	1.3
116.07055	0.8
119.08571	1.0
121.10153	3.8
127.03896	1.9
127.11176	0.7
138.12805	1.5
147.11684	1.3
181.15915	0.7
181.53297	0.5
203.17912	0.6
226.21617	2.2
238.21674	25.1
240.23207	1.3
256.22748	22.1
264.23254	5.6
266.24811	1.7
276.23257	6.0
278.24649	0.6
294.24295	9.9
296.25809	0.6
307.61169	0.6
312.25388	6.4
330.26413	100.0
331.26755	1.7
332.27930	1.8
360.27451	0.7
372.27429	1.0
474.30542	1.1
492.31711	92.4
493.32022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10638	0.6
55.01852	1.4
55.05506	2.7
56.05029	2.0
57.03428	2.0
58.06602	1.0
60.04263	1.1
60.04531	13.0
61.02911	0.6
67.05506	3.4
68.05019	1.2
69.01821	0.5
69.03428	3.5
69.07053	1.8
69.73757	3.5
70.06592	6.6
71.01334	1.1
71.04983	0.7
72.04516	1.3
72.08150	1.3
73.02913	1.9
79.05502	2.7
80.05024	7.5
80.25037	0.6
81.03413	0.8
81.07059	4.8
82.06593	2.9
83.04984	1.7
83.08638	0.8
84.04493	2.2
84.08141	1.9
85.02921	5.2
85.06532	0.7
86.06059	1.2
86.09698	1.9
87.04465	2.5
89.12392	0.6
90.05569	1.1
91.05482	3.0
93.07058	1.8
94.06573	8.5
95.08611	2.1
96.08138	0.8
97.02894	7.7
97.06533	1.6
97.10179	0.9
98.06073	1.6
98.21424	0.7
101.02361	1.3
102.05530	1.1
105.07037	1.7
106.06551	1.1
107.08591	1.8
108.08118	1.2
109.06506	0.9
109.10160	1.1
111.08083	1.0
113.02367	1.9
115.03930	2.5
116.07095	1.4
119.08596	1.3
120.08105	2.5
121.10146	1.1
123.11747	0.7
125.02379	0.7
129.10190	1.0
131.08578	1.3
132.06615	0.7
133.10216	0.8
134.09683	1.1
136.07527	0.6
137.09514	0.5
143.03391	0.7
145.10086	0.8
147.04425	0.9
148.07591	0.6
148.11163	0.9
158.60208	0.7
159.09158	0.6
159.61191	0.6
161.04443	0.8
162.12798	0.7
165.12785	2.1
170.99448	0.5
187.09009	0.6
206.84727	0.6
210.18474	0.9
222.18542	1.4
240.19652	2.0
248.20114	2.5
250.21790	1.4
260.20148	5.1
263.13934	0.8
270.40399	0.6
278.21133	5.3
286.20190	2.0
296.22220	3.3
314.23276	26.4
332.24323	23.2
342.22852	1.2
360.23761	4.0
374.25632	0.7
474.27362	0.7
492.28104	100.0
493.28061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10638	0.6
55.01852	1.4
55.05506	2.7
56.05029	2.0
57.03428	2.0
58.06602	1.0
60.04263	1.1
60.04531	13.0
61.02911	0.6
67.05506	3.4
68.05019	1.2
69.01821	0.5
69.03428	3.5
69.07053	1.8
69.73757	3.5
70.06592	6.6
71.01334	1.1
71.04983	0.7
72.04516	1.3
72.08150	1.3
73.02913	1.9
79.05502	2.7
80.05024	7.5
80.25037	0.6
81.03413	0.8
81.07059	4.8
82.06593	2.9
83.04984	1.7
83.08638	0.8
84.04493	2.2
84.08141	1.9
85.02921	5.2
85.06532	0.7
86.06059	1.2
86.09698	1.9
87.04465	2.5
89.12392	0.6
90.05569	1.1
91.05482	3.0
93.07058	1.8
94.06573	8.5
95.08611	2.1
96.08138	0.8
97.02894	7.7
97.06533	1.6
97.10179	0.9
98.06073	1.6
98.21424	0.7
101.02361	1.3
102.05530	1.1
105.07037	1.7
106.06551	1.1
107.08591	1.8
108.08118	1.2
109.06506	0.9
109.10160	1.1
111.08083	1.0
113.02367	1.9
115.03930	2.5
116.07095	1.4
119.08596	1.3
120.08105	2.5
121.10146	1.1
123.11747	0.7
125.02379	0.7
129.10190	1.0
131.08578	1.3
132.06615	0.7
133.10216	0.8
134.09683	1.1
136.07527	0.6
137.09514	0.5
143.03391	0.7
145.10086	0.8
147.04425	0.9
148.07591	0.6
148.11163	0.9
158.60208	0.7
159.09158	0.6
159.61191	0.6
161.04443	0.8
162.12798	0.7
165.12785	2.1
170.99448	0.5
187.09009	0.6
206.84727	0.6
210.18474	0.9
222.18542	1.4
240.19652	2.0
248.20114	2.5
250.21790	1.4
260.20148	5.1
263.13934	0.8
270.40399	0.6
278.21133	5.3
286.20190	2.0
296.22220	3.3
314.23276	26.4
332.24323	23.2
342.22852	1.2
360.23761	4.0
374.25632	0.7
474.27362	0.7
492.28104	100.0
493.28061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01876	3.4
55.05513	16.3
56.05030	2.6
57.03441	7.8
57.07051	2.6
59.04992	2.2
60.04527	8.8
60.72054	2.4
61.02933	4.5
67.05505	13.7
69.03425	16.8
69.07077	8.4
69.37885	19.8
70.06596	8.8
71.05013	13.3
72.04504	3.8
73.02946	5.4
75.04482	5.8
79.05495	14.6
80.05019	5.4
81.03422	11.0
81.07065	27.1
82.06570	3.1
82.87209	2.3
83.04993	19.2
83.08636	9.5
85.02908	42.3
85.06563	6.6
85.53139	2.4
86.09727	2.9
87.00818	13.9
87.09539	2.6
89.04184	2.8
91.05502	11.5
93.07037	18.4
94.06593	5.7
95.04968	21.7
95.08616	14.6
97.02901	16.2
97.06540	16.5
99.04481	9.1
99.08106	2.7
99.15787	2.3
105.01856	14.0
105.07038	23.9
107.08575	21.8
109.02901	9.9
109.06525	26.0
109.10160	30.3
110.07197	2.9
110.09724	2.8
111.04494	4.5
111.08102	9.0
113.06052	3.1
115.07616	3.3
117.07035	2.4
119.05009	3.0
119.08585	17.6
120.08128	3.0
121.10148	27.1
123.08127	8.5
123.11725	8.8
125.09654	3.9
127.03920	19.4
131.08565	13.1
133.10130	53.8
133.11086	4.0
135.08078	7.3
135.11722	4.5
136.03963	18.4
139.11253	4.5
145.02884	4.1
145.04987	8.8
145.10167	6.0
147.04440	8.5
147.11702	17.8
148.04820	2.6
149.13274	15.0
151.07597	3.5
151.11211	13.6
153.09116	20.0
154.05084	4.6
159.02927	6.4
163.14926	5.0
164.37712	2.6
165.12839	4.4
167.14304	17.6
169.12270	3.3
171.10263	2.7
173.13284	27.4
175.14841	40.7
177.05453	5.6
191.14297	32.0
193.15993	10.3
209.15373	100.0
209.17317	5.4
227.16420	27.6
227.18422	2.5
231.05066	4.0
254.21233	5.3
262.21869	4.0
298.09616	3.0
310.23959	4.2
327.26642	4.7
328.24536	14.1
330.26663	3.4
346.25784	45.7
474.30789	8.1
492.31433	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92160	0.7
52.32205	0.7
53.03939	2.6
54.93821	0.8
55.01867	1.9
55.05499	1.2
57.03432	1.4
60.04516	1.6
61.02936	1.0
66.10941	0.7
67.05498	3.2
69.03429	5.9
69.07059	2.4
70.06602	3.8
71.04990	2.3
71.57213	1.0
72.08151	1.4
73.02892	1.5
79.05487	4.9
81.03414	3.9
81.07059	10.1
83.04977	4.7
83.08604	1.6
84.08115	1.4
85.02908	12.7
86.09736	1.2
87.00842	4.3
91.05481	3.3
93.07047	5.7
94.06590	1.1
95.04975	12.7
95.08621	4.2
97.02905	6.1
97.06499	3.7
98.97572	1.2
99.04456	3.4
105.01856	4.5
105.07044	7.0
107.08590	8.5
109.02873	5.3
109.06529	18.2
109.10164	8.5
111.08074	1.9
117.06090	0.7
119.00010	0.7
119.08588	5.7
120.08075	1.1
121.06494	1.2
121.10146	6.5
123.11705	3.1
127.03925	8.6
129.07127	0.8
131.08571	6.0
133.10124	21.4
135.08069	2.6
135.11694	2.8
139.11171	4.8
143.08575	1.5
145.04950	3.7
145.10150	3.1
147.02899	0.9
147.04419	2.0
147.11633	4.5
149.09583	0.7
149.13255	5.8
151.11240	2.4
153.09119	6.1
158.10944	1.6
159.02919	1.9
163.14867	2.4
165.12712	1.2
167.14299	1.0
173.13269	15.8
175.14824	1.1
191.14314	24.2
191.16106	1.4
209.15358	15.9
227.16415	3.8
231.05067	1.4
274.21576	1.2
292.22693	0.8
310.23694	1.3
324.11197	0.8
327.26443	2.1
328.24576	5.3
330.26492	1.7
346.25870	7.4
456.47095	0.7
492.30341	100.0
493.30188	1.2
494.98111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05837	0.4
56.96560	0.7
69.03424	0.6
70.06580	0.9
71.49994	0.8
72.08137	0.4
79.05502	0.8
84.08149	0.5
85.02905	0.9
86.09666	0.7
91.05470	1.3
93.07041	1.2
95.05015	0.5
97.02924	0.6
98.97585	1.5
98.98437	0.6
103.05463	6.1
107.04943	2.0
108.04636	0.4
110.27750	0.4
111.10565	0.4
119.04936	1.3
120.08109	100.0
121.08466	0.6
131.04932	2.1
147.04411	4.5
149.05991	1.9
161.04620	0.5
166.08647	52.2
201.00737	0.5
219.01857	0.4
254.23116	0.7
262.58774	0.5
328.27017	0.5
329.26880	0.8
386.77228	0.5
492.32669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.5
55.01835	1.1
55.05515	4.0
56.05042	2.1
57.03441	5.0
57.07059	0.5
57.44853	0.3
58.02929	0.3
58.06572	0.5
60.04530	10.0
61.02930	3.2
62.11162	0.3
65.03930	0.7
67.05505	9.6
68.05040	1.7
69.03432	12.8
69.07072	3.6
69.24606	1.5
69.25043	1.9
70.06601	3.2
71.04988	3.8
72.04515	1.8
72.08118	0.7
73.02924	2.3
74.06047	1.0
79.05496	5.4
80.05024	6.6
81.03420	4.8
81.07063	10.7
82.06584	4.4
83.01302	0.5
83.04949	1.2
83.08620	2.1
84.04466	0.8
84.08097	1.0
85.02908	21.9
86.06028	1.6
86.09669	1.2
87.04460	2.5
90.05534	0.5
91.03923	1.3
91.04981	0.5
91.05483	6.6
93.07049	8.2
94.06571	5.2
95.01306	0.4
95.04977	2.1
95.08067	0.6
95.08604	7.7
96.04456	0.7
96.08125	1.7
97.02310	0.4
97.02891	7.9
97.06510	1.8
97.10133	1.0
98.06058	3.3
98.97542	0.4
99.04463	6.7
100.65526	0.4
101.02389	0.5
103.05423	0.6
104.33236	0.4
105.01860	0.4
105.07034	15.8
106.06493	0.9
106.37693	0.3
107.04897	0.5
107.08596	4.5
108.08078	0.9
109.02899	2.0
109.06485	1.4
109.10155	3.0
110.06026	2.6
110.09645	1.2
111.08054	0.8
112.07591	0.9
113.02263	0.5
114.05521	1.1
115.03866	0.4
116.07041	1.2
117.06976	0.8
119.04948	2.1
119.08572	2.6
120.08127	2.2
121.06526	0.8
121.08394	0.3
121.10149	3.2
122.09682	0.7
123.11666	1.2
124.07555	1.3
127.03934	3.9
128.06172	0.6
128.07050	0.7
131.08542	1.1
132.06575	2.8
133.06499	2.2
133.10135	16.4
134.09616	0.8
135.08023	0.5
135.11656	1.5
137.05940	0.9
137.09622	0.5
138.09140	0.7
141.01784	1.0
143.07040	2.7
143.08516	1.6
145.04999	1.7
145.10136	2.2
147.04416	4.5
147.11646	0.6
148.04782	1.9
148.05757	0.4
148.11171	0.4
151.07509	1.3
151.11139	1.6
156.03496	0.4
159.02826	0.3
161.09625	18.1
162.40170	0.4
163.11208	2.1
163.14868	0.6
171.08040	0.5
173.08105	2.9
179.10658	2.5
189.09113	6.1
191.14279	1.2
207.10205	2.2
209.15363	1.4
210.22174	0.4
220.20578	1.1
225.11238	1.7
226.21666	1.8
227.16396	2.2
238.21672	12.3
240.23430	0.4
243.09825	0.6
243.59842	0.4
250.21631	0.5
251.08524	0.9
253.14381	3.0
256.22723	16.5
258.22119	0.6
263.12799	3.4
264.23257	1.0
276.23254	4.0
281.13855	28.5
282.14145	0.4
293.05200	0.4
294.24261	8.1
299.14911	1.4
312.21957	0.6
312.25302	13.8
318.13245	0.4
327.26431	4.9
328.26855	8.3
330.26392	100.0
337.12912	0.6
346.26205	0.4
354.26468	0.5
365.12234	0.7
372.27386	0.9
438.28540	0.4
439.15939	1.2
456.29596	1.4
457.16974	3.3
474.30524	10.9
492.31702	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05511	1.9
57.03418	0.5
60.68835	0.3
65.16010	0.3
65.40916	0.3
67.05504	5.0
69.03419	0.5
69.07053	1.5
71.04990	0.8
73.44494	0.4
79.05501	3.2
81.03397	0.8
81.07063	5.5
83.04967	0.8
83.08616	1.0
85.06547	0.4
86.09682	0.4
91.05482	1.9
93.07045	2.9
95.04965	1.1
95.08608	3.6
97.02917	0.4
97.06531	0.6
97.10185	0.5
105.07012	1.3
107.04958	1.8
107.08577	1.4
107.14610	0.4
109.06512	1.4
109.10161	6.3
111.08067	0.6
115.13443	0.3
117.07034	0.6
119.08574	3.7
121.06502	1.5
121.10181	1.8
122.07318	1.9
123.08025	0.5
123.11713	7.4
125.09629	0.7
131.08566	0.9
133.10150	0.7
135.08052	0.7
135.11674	1.0
137.09622	11.1
139.07558	0.4
143.08562	0.5
145.10161	1.2
147.04427	0.6
147.08052	0.6
147.11601	0.5
149.09615	0.8
149.13237	0.5
155.10706	0.6
159.08005	0.5
163.11162	1.5
165.09116	100.0
166.09415	1.0
173.09575	0.6
173.11827	0.5
175.11154	0.7
183.10176	0.8
184.33217	0.4
201.11151	1.7
209.18977	0.5
219.13849	0.7
227.12729	1.8
264.01675	0.4
265.14352	1.1
339.25259	2.1
345.27536	0.4
367.22690	0.9
385.23779	0.9
459.27432	2.6
491.25534	0.6
491.31110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96276	0.4
60.04523	2.7
65.03963	0.5
67.05510	0.7
68.05031	0.4
69.82603	0.9
69.83013	1.4
70.06568	0.9
80.04997	0.7
81.07061	0.9
84.08142	1.0
85.02911	0.5
91.05483	6.6
93.07061	0.7
94.06559	1.4
95.08627	0.9
96.08163	1.0
97.08926	2.8
98.09727	0.6
99.45049	0.5
106.06572	0.5
107.08645	0.5
108.59173	0.4
109.10175	0.4
110.09651	3.2
119.04950	17.0
120.08099	0.9
132.06612	0.4
134.09624	0.9
147.04414	56.7
148.04752	0.6
149.71385	0.4
176.14394	0.5
178.15912	0.7
192.17516	0.6
194.19142	0.5
208.20685	0.8
223.21751	1.6
236.20227	0.9
238.21680	2.2
250.21619	2.5
251.24780	0.7
253.22784	4.2
261.23285	5.1
267.09033	0.7
268.10944	0.8
271.06039	3.1
272.48544	0.5
273.23236	2.4
279.24286	0.8
291.24066	0.9
293.05469	0.6
309.25403	1.0
327.26425	100.0
328.26755	1.5
329.24896	0.8
345.27472	2.0
455.28995	3.1
473.30142	81.3
474.30371	1.7
485.17059	0.8
491.15106	1.0
491.31097	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	490.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30024	1.2
52.18906	1.5
53.03937	4.3
55.05507	9.1
57.07061	1.6
59.04979	1.8
64.64925	1.5
65.03929	2.2
66.52217	1.5
67.05510	19.8
68.05045	7.9
69.03422	2.2
69.07069	9.1
70.06593	41.5
70.49359	1.6
70.49668	2.4
71.04996	1.7
77.03925	1.8
79.05492	20.9
80.05005	5.4
81.03422	2.5
81.07056	36.1
82.06577	7.6
83.04986	2.4
83.08619	2.8
84.08173	2.6
91.04971	2.4
91.05483	33.4
91.89879	1.5
93.07046	40.4
95.04965	37.9
95.08606	14.0
96.08113	10.0
97.06525	4.3
97.10173	2.0
98.06035	1.9
100.07615	35.2
103.05486	3.9
105.04525	2.3
105.07034	67.6
106.06553	5.3
107.08588	22.3
108.08128	7.6
109.06519	3.0
109.10152	18.0
110.09656	1.6
111.08148	2.5
114.05531	16.6
115.05431	4.2
116.06373	1.8
116.07069	10.2
117.07019	18.4
119.08577	55.0
120.08115	10.2
120.09417	1.7
121.06499	2.4
121.10148	37.9
121.47776	1.4
122.09674	3.2
123.11694	2.9
128.06216	6.8
128.07069	53.3
129.07022	15.9
130.07779	9.0
131.07521	2.0
131.08563	27.5
132.08055	2.5
133.09038	1.9
133.10135	21.9
133.37767	1.6
134.09686	6.7
135.08104	1.8
135.11653	6.9
136.11246	4.8
137.09721	1.5
140.07071	2.5
141.06978	6.0
142.07764	14.0
142.08650	2.0
143.08562	32.9
144.08295	1.6
144.09290	8.1
145.10117	57.6
146.09683	4.5
147.10606	2.5
147.11681	14.9
148.11206	14.2
151.06311	2.6
152.07062	2.0
153.07043	2.0
154.08690	26.0
155.08549	11.3
156.09335	12.2
157.10132	33.9
158.09703	3.5
158.10936	3.6
159.11623	13.8
160.11256	7.2
161.09644	1.9
161.13303	3.7
162.12796	4.3
164.07101	3.0
165.06993	2.7
167.08525	7.5
168.10278	13.8
169.10144	30.7
170.10905	2.0
171.10416	2.7
171.11700	17.3
172.11227	4.5
173.11960	2.2
173.13235	8.7
174.12770	3.7
175.14816	3.5
178.08656	7.3
179.08604	6.5
180.10277	2.1
181.10066	10.7
182.10866	1.8
183.11713	15.4
184.11226	3.1
185.13277	9.2
186.12714	2.6
187.14914	2.8
188.14360	2.0
192.10269	2.5
193.10175	3.4
194.11838	28.3
195.11668	11.2
196.12582	3.8
197.13312	6.3
198.12807	2.3
199.14845	2.9
200.14388	2.6
201.16460	3.2
204.10248	1.6
206.11696	4.6
207.11739	5.2
209.13245	11.1
211.13177	3.3
211.14905	11.3
212.14342	1.7
214.16003	3.7
216.10144	2.9
218.11761	8.7
219.12572	1.8
220.13335	5.9
221.13239	3.5
221.48264	1.5
226.15903	4.8
230.11801	3.0
232.13332	2.8
234.14812	1.5
235.14897	3.6
237.16487	4.3
238.15891	3.4
239.17847	2.2
244.13367	2.4
246.14966	2.5
247.15216	2.1
256.13452	5.4
258.14908	7.4
259.15723	4.6
260.16461	13.6
265.19693	3.4
269.13968	1.4
270.14951	2.4
271.15640	4.8
274.17960	4.6
275.18036	1.7
282.14850	1.7
284.16516	8.6
287.18268	1.7
314.21075	2.4
324.19678	2.0
337.20560	1.6
340.22369	2.0
350.21170	3.8
351.21802	1.7
352.22781	4.2
357.25589	2.6
366.24115	2.6
380.25845	67.5
398.26938	34.5
411.27481	1.7
428.33139	4.9
472.32135	91.1
490.33200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	1.0
55.05503	2.1
56.05023	1.5
57.03442	4.2
57.07078	2.9
60.04533	12.3
61.02917	1.0
67.05231	0.5
67.05512	5.3
68.05011	1.5
69.03432	6.1
69.07063	1.3
70.06586	1.5
71.01373	0.7
71.04982	0.7
71.07864	0.5
71.08202	1.1
72.04515	1.8
73.02917	1.7
79.05499	3.0
80.05019	6.1
81.03405	1.1
81.07065	6.0
82.06585	2.6
83.08618	0.8
84.04512	0.9
85.02907	8.0
85.06536	1.7
86.06068	1.4
87.04449	0.9
90.05585	1.2
91.05486	3.1
93.06544	0.5
93.07041	3.2
94.06584	3.6
95.04953	0.6
95.08630	3.9
96.04493	0.7
96.08128	1.1
97.02906	16.3
98.06062	2.1
99.00835	0.5
101.02380	1.0
105.07029	1.8
106.06607	0.8
107.08609	1.3
108.08112	1.0
109.10152	2.2
110.06028	1.5
113.02367	1.3
114.05511	1.2
115.03933	2.3
115.04674	0.5
116.07091	0.8
119.08586	1.5
120.08104	1.0
121.10136	1.9
122.06052	0.5
124.07611	0.6
128.07068	0.8
131.08572	1.1
132.06573	2.8
133.10077	0.5
134.09685	1.1
135.11678	0.9
138.09193	0.7
143.03374	0.8
156.10181	0.7
161.04524	0.9
164.10667	0.6
209.55049	0.5
213.16347	0.5
218.18825	0.7
218.93291	0.7
220.20700	0.9
226.21651	1.0
236.20079	1.7
238.21735	2.2
254.21101	3.6
256.22687	3.1
266.21100	1.2
276.23212	2.2
276.26047	0.6
284.22119	1.3
292.22797	0.9
294.24139	2.6
304.22430	0.6
310.23746	1.6
312.25287	5.3
322.23956	1.0
328.24860	15.8
330.26413	29.2
340.24945	2.5
358.25848	6.2
372.27417	0.8
441.50418	0.6
472.29102	1.5
490.30148	100.0
491.30774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00897	0.5
53.03917	1.5
55.01886	2.5
55.05508	2.0
56.05004	1.4
57.03435	2.8
58.06579	0.6
60.04526	5.2
61.02927	2.9
67.05505	5.8
68.05000	1.7
69.03429	12.9
69.07069	2.2
69.59034	2.9
69.69788	0.4
70.06590	3.8
71.04992	6.8
72.04482	0.6
72.11916	0.4
73.02891	1.2
74.06033	0.4
79.05494	3.3
80.05029	5.7
81.03412	5.4
81.03867	0.7
81.07055	5.9
83.04939	1.1
83.08588	0.8
84.04483	0.9
84.08121	1.0
85.02908	15.2
85.06499	0.7
86.06049	1.0
87.04481	1.8
90.05568	0.4
91.03915	0.7
91.05466	2.5
93.07047	4.1
94.06029	0.5
94.06564	6.6
95.04945	0.8
95.08080	0.4
95.08614	6.0
96.04485	0.4
96.08141	2.3
97.02898	6.6
97.05938	0.5
97.06533	8.9
97.10162	0.5
98.06042	2.1
98.09711	0.4
98.21481	0.7
99.04443	1.3
103.65215	0.3
104.52929	0.4
105.07002	1.7
106.06520	0.7
107.08588	2.7
108.08088	2.2
109.02831	1.8
109.06525	0.9
109.10127	1.4
110.09683	0.6
111.08086	0.7
112.07623	0.7
115.03973	0.4
116.07034	1.0
117.06988	0.6
119.08535	1.8
120.08089	1.3
121.10104	1.5
122.09651	1.0
123.08060	0.9
124.07585	0.6
127.03913	2.5
131.08548	1.2
133.10101	1.4
134.09602	1.5
135.11635	0.8
136.11252	0.5
136.32715	0.4
137.09569	0.3
139.11160	0.4
145.04947	1.3
145.10098	1.1
146.09633	0.4
147.11563	0.4
148.11237	0.4
152.14354	0.4
159.11693	0.7
161.13223	0.6
166.15898	0.5
175.14786	0.5
178.15924	0.5
179.14337	0.5
185.03458	0.4
194.15393	1.3
208.20537	1.0
218.19000	0.7
219.17458	0.9
220.16946	0.4
222.18491	0.9
224.20088	1.7
229.09427	0.4
236.20088	30.9
238.21629	0.4
244.20560	0.8
246.22171	1.3
250.18030	0.9
250.21527	0.5
254.21161	22.1
256.20474	0.5
262.21744	2.8
263.20169	0.7
264.23459	2.0
274.21667	7.0
292.22693	9.3
310.23743	8.6
328.24823	98.3
329.25116	1.5
344.24432	1.2
352.24814	0.9
370.25974	1.9
383.57031	0.5
454.27753	0.9
460.94955	0.4
472.28989	1.7
490.30124	100.0
491.30032	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	490.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01881	1.7
55.05519	2.7
56.05042	1.7
57.03436	2.4
58.06585	0.5
59.39747	0.4
60.04536	4.8
61.02927	2.0
67.05511	4.1
68.05003	1.4
69.03436	8.5
69.07034	1.5
69.74155	0.3
70.06599	4.0
71.04997	2.3
71.10783	0.8
72.04483	0.8
72.08133	0.6
73.02905	1.6
74.06051	0.6
79.05495	3.8
80.05023	6.1
81.03422	4.4
81.07068	5.1
83.01325	0.4
83.04993	2.2
83.08583	0.9
84.04466	0.6
84.08092	1.1
85.02911	15.9
85.06505	1.4
86.06038	0.8
86.09666	1.3
87.04430	1.2
88.06985	0.3
88.07582	0.4
90.05568	0.5
91.03933	0.4
91.05490	2.8
93.07060	5.0
94.06045	0.5
94.06576	6.5
95.04942	0.7
95.08619	4.8
96.08094	1.5
97.02906	5.9
97.06500	1.5
98.06022	1.2
98.09666	0.4
98.97571	0.4
99.04405	1.4
101.06042	0.4
102.05542	0.5
105.07024	1.6
106.06492	0.4
107.08605	2.3
108.08069	1.3
109.02917	1.9
109.10108	1.5
110.09616	1.0
111.08104	2.4
112.07600	0.4
116.07053	1.2
117.06998	0.7
119.08598	1.6
120.08050	1.1
121.10131	1.7
122.09667	0.5
123.08022	1.1
123.11631	0.5
124.07549	0.6
124.11218	0.4
125.09630	0.4
127.03927	2.4
129.07005	0.4
131.04874	0.6
131.08513	1.2
132.06541	0.4
133.10071	0.9
134.09642	1.2
135.11642	1.3
136.11201	0.5
137.09589	0.6
138.12747	1.1
145.04930	1.3
145.10065	1.2
147.04358	0.5
147.11696	0.5
149.13182	0.3
152.14345	0.5
158.54163	0.4
159.11665	0.8
162.12726	0.6
179.14359	2.4
180.13824	1.8
190.15823	0.4
198.14920	0.6
201.16541	0.5
208.16968	1.4
208.20459	0.8
218.15364	0.7
218.19025	0.8
218.44412	0.3
219.01651	0.4
219.17439	1.0
220.17032	0.5
224.20143	1.3
226.18134	0.4
236.16301	1.1
236.20099	14.1
238.21561	0.6
244.20515	0.5
246.18507	1.0
254.21179	21.2
256.20386	0.5
259.43524	0.4
262.21576	1.6
263.20071	0.4
264.19708	2.1
264.23230	1.3
266.21146	0.5
272.22244	0.5
274.21677	5.3
282.20776	0.4
292.22739	8.8
310.23746	8.5
328.24841	100.0
329.25275	1.1
336.13541	0.4
352.24771	0.8
370.25897	1.4
434.71960	0.4
441.10684	0.4
454.28104	1.1
472.28949	1.8
475.84277	0.4
490.30157	80.7
491.30347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01855	0.7
55.05475	0.4
56.05017	0.4
57.03433	1.6
60.04526	1.7
61.02927	1.8
62.29382	0.3
67.05480	1.3
68.05011	0.7
69.03081	0.4
69.03430	5.4
69.07068	0.5
69.73655	1.4
70.06596	3.8
71.04965	0.7
72.01476	0.3
72.04482	0.4
72.08160	0.4
73.02895	0.7
79.05464	1.0
80.05014	4.2
81.03415	2.2
81.07034	1.1
82.06573	1.8
83.01338	0.3
83.07368	2.9
84.08148	2.5
85.02909	9.0
86.09701	0.6
87.04437	0.9
91.03935	0.4
91.05457	0.7
93.07030	0.8
94.06573	3.9
95.08581	1.3
96.08131	12.4
97.02892	3.6
97.08902	0.3
98.97539	0.9
99.04421	0.7
101.02390	0.3
103.05441	0.4
105.07000	1.0
107.04957	2.5
107.08593	0.7
108.05285	0.8
108.08109	1.2
109.02883	1.4
109.08876	0.4
110.09693	2.8
110.66181	0.3
116.07075	0.6
119.08548	0.3
120.08077	1.2
122.09653	1.1
123.10423	0.5
124.11221	0.6
127.03912	2.0
134.06848	0.3
134.09622	0.5
135.08060	0.5
135.11670	0.4
136.08365	0.5
136.11263	0.5
138.12692	0.6
145.04930	0.8
147.04419	1.1
148.11195	0.6
150.12856	0.3
152.14296	1.9
158.63910	0.3
161.05850	0.5
162.06213	0.5
163.07541	2.6
164.07863	1.6
164.14436	0.6
166.08603	0.4
166.15968	0.7
167.07002	1.3
168.07367	0.6
178.15916	7.0
180.17455	0.6
192.17508	1.5
192.58847	0.3
194.19086	2.3
195.10214	1.9
196.10542	1.6
196.84439	0.3
206.19121	0.4
208.20621	3.7
218.19031	1.8
220.20576	3.6
222.22179	0.5
223.21623	2.2
224.20142	1.2
226.15388	0.3
235.21669	2.3
236.20107	6.4
237.23369	0.6
238.21700	1.8
247.21814	0.8
249.23375	0.4
250.21669	2.8
253.22760	46.0
261.23282	4.6
262.21655	1.2
263.24817	0.7
273.23251	4.9
274.21628	0.5
276.44058	0.3
277.22864	0.7
278.06714	0.3
279.24368	1.2
291.24310	2.2
292.12457	0.4
297.23267	0.5
309.25302	2.3
315.24188	0.7
327.26425	100.0
328.26654	0.6
333.25323	1.1
351.26465	1.7
369.27609	0.6
435.28427	0.4
453.29807	0.4
471.30582	0.8
480.87546	0.3
489.31723	80.1
490.32022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05515	7.3
56.05022	2.8
56.96555	2.9
57.03421	1.5
60.04535	6.2
60.72727	0.7
65.03920	1.1
67.05209	0.7
67.05513	6.7
68.05022	1.9
68.77699	0.9
69.03414	3.0
69.07066	3.9
70.06597	6.4
71.04986	1.3
71.57523	0.9
72.08141	1.3
79.05464	3.6
80.05022	3.7
81.03410	2.0
81.06645	0.9
81.07067	10.8
82.06580	5.5
83.04962	1.8
83.08604	1.9
84.04494	1.6
84.08154	4.3
85.02926	4.6
85.06566	1.9
86.09708	3.9
87.00902	0.7
87.04447	0.8
91.05484	13.1
93.05769	2.3
93.07042	5.8
94.06582	8.6
95.04989	1.2
95.08601	9.4
96.08132	6.7
96.56574	0.8
97.02887	2.5
97.06510	3.2
97.08916	17.2
98.09686	3.7
98.97594	1.6
99.08084	1.4
103.05473	0.9
105.07021	4.3
106.06513	2.5
107.04945	2.5
107.08626	4.2
108.08095	3.3
109.10180	5.7
110.06055	2.3
110.09694	24.7
111.08080	1.9
111.10430	1.1
117.07057	0.9
119.04954	19.5
119.08572	2.8
120.08125	3.8
121.10125	3.2
122.09657	3.1
123.11681	2.5
124.11210	2.3
124.99076	0.7
125.04863	0.8
127.03925	1.4
131.04886	1.1
131.08537	1.3
132.06514	1.4
133.06584	0.8
133.10129	2.5
134.09666	1.6
135.04442	1.5
135.11720	1.8
136.11217	3.8
137.05960	2.2
137.13232	1.3
138.12730	1.7
145.02876	1.0
145.10081	1.8
146.08092	2.1
147.04417	57.5
147.11633	1.7
148.11179	2.1
149.13242	1.9
150.12779	2.7
151.07521	2.9
152.14326	1.3
160.07573	1.3
161.05975	0.8
161.13298	0.8
162.12738	2.1
163.03897	2.8
163.14825	0.9
163.60304	0.9
164.14375	2.8
165.09120	1.8
166.15915	1.2
169.55017	0.8
174.12804	2.9
176.14345	2.0
177.16406	0.9
178.15895	6.1
180.17497	1.4
188.06978	1.4
190.15906	1.9
191.10622	1.1
192.13837	1.4
192.17514	4.6
194.19084	1.3
205.17010	2.9
215.07120	1.0
217.17062	2.0
217.19623	1.2
218.15514	0.9
218.19174	1.2
220.20607	1.0
221.09625	1.0
223.21788	1.8
227.07007	1.4
235.20370	1.0
236.20041	2.8
237.09138	8.1
238.21570	0.8
239.07027	1.0
243.13483	1.1
247.21684	4.3
248.20175	2.5
251.21188	4.0
253.08615	2.4
253.22668	2.3
255.10187	4.8
259.09772	1.1
259.21808	4.5
261.23267	3.9
263.10815	0.9
265.22507	0.9
266.21127	2.7
267.10184	1.9
271.19717	1.5
271.22006	2.0
272.20047	1.5
273.25934	1.0
277.22754	12.4
279.24112	1.0
283.20078	0.9
289.07629	1.0
289.22742	14.7
291.13980	1.0
291.26813	0.8
307.23743	2.9
309.14850	3.0
325.24875	85.7
327.12335	1.5
327.15918	14.9
327.26431	10.2
333.06363	1.7
343.25937	100.0
360.22986	0.8
365.13318	1.0
453.27368	4.5
471.28595	49.2
489.11606	2.4
489.22989	8.1
489.29535	67.8
490.29739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13083	0.5
60.04522	4.0
65.03928	0.9
67.05495	1.2
69.71479	2.7
70.06590	1.2
80.05019	1.1
81.07050	0.9
82.06593	0.9
84.04491	0.7
84.08154	1.9
86.09705	1.3
91.05483	10.4
91.40877	0.4
93.07060	0.5
94.06561	1.6
96.08134	1.3
97.08931	3.7
103.10817	0.5
110.06019	1.1
110.09682	5.4
119.04958	26.7
120.08124	0.7
124.11233	0.9
132.06587	3.2
134.09705	0.7
136.11258	0.6
147.04427	86.1
150.12819	1.1
152.14449	0.6
164.14363	0.7
178.15959	1.5
189.67390	0.5
190.15907	0.7
192.17480	1.8
194.19058	3.2
204.17525	0.9
208.20613	1.0
210.18544	4.1
223.21721	1.0
236.20111	5.1
247.21724	5.9
248.20113	2.0
254.16225	0.5
259.21741	7.5
260.20248	0.6
261.23175	0.7
266.21158	3.1
271.21710	1.6
277.22781	5.1
289.22800	6.1
325.24887	21.9
329.92737	0.5
343.25958	63.8
344.26279	1.0
471.28619	13.7
489.29626	100.0
490.30313	2.8
490.36948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
53.93315	2.7
55.01874	7.8
55.05513	57.1
56.96576	7.3
57.03432	5.7
59.04998	4.5
65.03948	3.0
67.05508	100.0
69.03414	4.7
69.07079	22.4
69.76137	5.3
69.76552	13.2
71.01357	2.9
71.04987	6.6
73.02932	6.1
79.05492	34.3
81.03438	14.1
81.07062	62.7
83.04989	10.5
83.08629	35.2
84.62611	2.6
85.02914	32.4
85.06544	4.5
87.04478	19.0
87.92432	2.5
91.05493	31.5
93.07058	34.6
93.08428	2.7
95.04971	9.5
95.08610	27.3
97.02866	3.8
97.06541	10.8
97.10184	46.0
99.08073	4.2
103.03927	4.3
105.07034	9.5
107.04962	4.9
107.08597	30.2
109.06542	3.3
109.10163	48.8
109.10902	3.4
111.08065	5.1
117.07034	11.9
118.92097	6.5
119.08575	8.2
121.06495	4.3
121.10158	12.4
125.09637	56.4
129.06992	4.9
131.08588	7.7
133.10162	18.3
135.08101	3.3
135.11723	24.5
136.93134	10.7
137.09630	3.9
143.10658	12.6
145.10094	7.0
147.11673	6.2
149.13271	27.3
150.94650	4.4
153.12767	5.3
154.94165	10.2
155.10629	5.8
159.11705	18.7
163.11208	12.9
168.95749	18.1
172.95236	7.5
173.09598	3.7
173.10329	3.1
173.11734	29.7
177.12744	17.0
181.12303	4.1
184.48418	2.8
186.96799	30.8
191.10677	4.3
193.12263	4.5
195.13832	57.8
195.15498	4.9
204.97914	12.6
209.11769	12.6
209.98346	2.9
210.96745	4.2
211.13242	5.5
213.14842	9.8
227.12758	8.4
227.16393	15.2
228.97945	7.0
320.19821	10.4
337.20746	2.7
338.20944	13.8
428.19666	4.6
456.19247	4.7
470.20755	4.2
472.00262	2.8
474.20242	21.8
488.21332	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	488.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01872	5.0
55.05268	3.9
55.05515	57.8
56.96578	5.1
57.03426	4.3
57.07079	5.3
59.04989	6.0
67.05512	100.0
69.03435	5.6
69.07076	15.0
69.68675	11.7
71.01369	4.1
71.04993	5.7
71.08627	2.6
73.02911	4.8
74.45522	2.7
74.48250	2.2
74.58028	2.6
79.05508	25.9
81.03426	25.8
81.07061	61.0
83.04980	11.8
83.08627	34.4
85.02911	28.9
85.06547	7.3
87.04454	11.1
91.05505	23.0
93.07062	30.0
95.04960	10.2
95.08622	19.3
97.02895	7.2
97.06544	10.3
97.10178	50.9
98.20742	3.2
103.03939	4.6
105.07022	12.7
106.64448	2.7
107.04979	4.1
107.08607	26.0
109.10168	83.6
111.04450	3.9
111.08069	4.7
111.83201	2.7
117.07021	7.9
119.08594	15.6
121.06512	4.5
121.10146	11.3
123.08059	5.1
123.11749	2.9
125.09641	55.0
129.07011	5.6
131.08560	12.5
133.10106	14.9
135.08035	3.6
135.11711	17.9
136.93129	4.8
143.10652	9.7
145.10107	11.3
147.11653	4.2
149.09691	3.4
149.13277	14.3
150.94647	6.0
153.12749	7.7
154.94189	4.8
155.10727	25.6
157.12283	3.5
159.11691	12.2
163.11165	22.5
168.95685	13.6
172.95320	3.6
173.09622	8.8
173.11742	60.5
177.12776	7.0
181.12210	4.1
186.96812	15.9
187.13235	14.1
191.10699	7.1
193.12309	16.0
195.13844	44.0
199.13272	4.5
204.97893	3.9
209.11736	20.2
211.13353	3.3
213.14868	13.5
223.13290	4.0
224.86145	3.1
225.14984	4.2
227.12779	12.3
227.16348	5.7
320.19827	6.6
338.20856	4.1
414.18076	2.7
456.19287	3.2
474.19986	6.9
488.21478	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	488.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12946	0.9
53.03959	0.9
53.84500	0.7
55.01855	1.3
56.12147	0.8
56.96561	1.4
69.03417	2.0
70.06594	12.1
71.56316	1.6
72.08156	1.4
79.05500	5.4
81.03415	5.2
84.04505	2.3
84.08156	5.8
85.02903	4.1
86.09698	2.4
87.04395	1.0
91.05478	2.8
95.04956	0.9
95.09334	1.0
97.02915	1.8
98.97607	1.9
102.05540	1.4
103.05463	10.9
105.07042	13.3
107.04965	74.7
107.08559	1.3
110.97553	1.0
115.03990	1.1
115.05471	4.6
116.07105	12.2
117.07011	1.9
119.04943	1.4
120.05740	2.8
123.04442	1.7
129.10265	3.6
131.04936	5.1
133.06496	10.9
135.08069	23.6
135.09099	1.3
135.14377	0.8
143.06012	1.4
145.07587	3.5
147.04395	3.2
154.06252	1.4
161.05992	18.7
163.07556	91.7
167.07062	38.3
180.07773	2.1
181.08614	2.1
187.82693	0.9
193.08614	10.0
195.10187	100.0
196.10536	0.9
209.02591	1.3
213.11316	1.7
223.09731	1.0
261.57715	1.0
291.12289	5.0
291.15030	0.9
327.26337	2.4
345.04935	0.9
353.11603	1.0
373.15076	1.6
470.10379	1.2
488.30414	2.0
489.31863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3442
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03946	8.4
55.01870	8.7
55.05513	30.4
56.96576	6.1
57.03428	8.1
61.02921	7.4
65.03941	3.9
67.05511	80.1
67.05872	4.4
69.03436	2.4
69.07074	32.8
69.21090	2.5
69.36510	11.0
69.36936	9.3
71.04991	6.0
73.02910	3.7
79.05499	49.2
81.03419	6.5
81.06581	4.3
81.07062	81.2
81.66057	2.4
83.04980	8.9
83.08646	16.8
85.02905	3.8
85.06539	4.0
91.03963	4.1
91.05489	60.7
93.07052	50.4
93.59035	2.3
95.04973	9.6
95.08607	50.3
95.09169	4.3
97.02882	2.9
97.06542	7.6
97.10178	10.3
98.21468	4.2
98.97584	6.6
99.08101	3.4
101.80527	2.3
103.05444	4.1
105.07041	62.3
107.04960	7.3
107.08608	33.3
109.06494	8.4
109.10175	22.5
110.97585	2.3
111.08080	3.6
115.05476	3.0
117.07034	21.9
119.08591	48.3
121.06526	4.9
121.10150	19.4
123.08080	4.8
123.11712	10.4
125.09621	3.3
128.06218	6.7
129.07019	14.4
131.00208	4.5
131.04900	3.0
131.08569	29.3
131.53564	2.9
133.06512	4.2
133.10138	46.1
134.98199	12.5
135.08083	4.5
135.11716	10.8
137.09648	3.7
141.07008	8.4
142.07845	4.8
143.08585	18.3
145.06488	3.2
145.10114	26.4
147.08043	6.5
147.11710	34.0
149.09654	8.6
149.13255	7.8
155.08585	11.1
156.09283	3.4
157.10126	24.6
159.08055	2.9
159.11670	18.2
161.09738	4.0
161.13243	5.9
163.11189	4.6
165.12793	12.0
167.08627	3.5
168.09283	2.4
169.10133	14.6
171.08099	4.3
171.11691	19.0
173.09686	2.5
173.13280	6.3
175.11145	6.8
177.12823	3.6
179.10675	2.8
181.10158	6.1
183.11710	12.7
183.13969	2.7
185.04965	3.1
185.13251	9.9
187.14812	4.0
193.12341	2.5
195.11784	6.0
195.13823	3.7
197.13284	8.0
199.14867	5.9
201.12822	3.0
207.11871	2.7
207.13857	3.6
209.13300	7.8
211.11227	2.6
211.14906	3.9
213.12531	2.2
221.13441	3.1
223.14772	3.3
251.17870	2.6
255.09103	3.9
259.20636	6.4
267.08960	21.2
269.10574	4.0
274.63864	2.8
275.20108	48.3
277.21655	4.5
285.09924	14.9
286.10544	4.8
290.10663	3.2
291.19745	3.3
299.11676	6.3
301.21918	3.3
313.21939	3.2
315.23297	3.4
317.12766	5.4
324.11447	7.7
325.21774	2.9
335.25845	4.9
339.23254	4.6
340.12851	6.6
350.17120	2.7
357.24207	6.6
367.18045	3.7
368.18250	3.8
397.20959	2.7
419.28107	3.5
423.32214	4.5
429.29962	2.4
433.31113	14.6
451.32208	21.2
453.21683	3.9
459.34689	3.4
469.23477	21.3
469.33218	65.2
487.34259	100.0
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	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03946	5.6
55.05515	9.5
56.96579	10.8
61.02921	8.3
66.10540	5.6
67.05497	25.8
69.03429	12.3
69.07074	27.2
69.52559	5.1
70.25150	16.8
71.04999	8.1
79.05512	27.5
80.72205	5.2
81.03420	15.4
81.07066	55.2
83.04984	16.5
83.08637	10.9
85.02915	24.2
91.05492	41.7
92.64875	6.3
93.07052	43.2
94.06564	11.3
95.04976	10.6
95.08605	57.7
97.02892	12.5
97.06525	30.1
105.07039	60.4
107.08610	41.6
109.06509	6.8
109.10159	31.5
110.09647	7.1
111.08065	9.6
117.06998	9.5
119.04990	12.7
119.08586	100.0
121.06534	12.2
121.10161	45.8
123.08089	8.3
123.11729	6.6
127.03928	7.4
131.08598	36.9
133.10153	55.7
135.11720	24.5
137.05995	8.6
137.09634	7.4
137.99518	6.8
145.10123	57.1
147.04382	34.6
147.08041	9.2
147.11700	39.0
149.13229	17.4
157.10190	19.8
159.11688	46.0
161.09653	16.2
161.13283	23.3
163.14844	13.4
165.07152	5.7
165.09183	16.0
167.07275	7.1
171.11678	12.5
173.13289	44.3
175.11328	6.6
175.14833	63.5
177.04193	5.8
177.16423	19.7
185.13275	23.4
187.14848	39.7
189.12692	8.6
189.16364	18.1
191.14333	21.6
197.13272	7.3
199.14825	16.9
201.12762	7.5
201.16455	28.9
203.14339	10.4
203.17918	13.2
205.15871	11.6
213.16451	15.4
217.15967	10.8
219.17468	13.1
221.15392	23.9
231.17479	21.1
249.18367	7.7
253.22897	13.9
341.24368	61.1
356.70596	7.2
393.31689	13.7
405.31476	25.2
411.32480	22.0
423.32584	80.3
433.31207	7.5
439.31955	8.4
441.33661	69.9
451.31964	27.2
469.33182	20.3
487.18112	7.7
487.26126	21.5
487.34448	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	487.3434
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.02375	3.5
53.03933	6.1
53.09077	2.1
55.01871	9.0
55.05268	2.4
55.05515	37.3
56.96562	8.5
57.03439	3.8
60.31348	2.7
61.02916	2.9
63.81808	2.3
65.03931	6.6
67.05508	85.9
69.03418	4.6
69.07069	37.4
69.79478	6.9
69.79889	7.1
71.04986	8.9
79.05057	4.6
79.05496	61.1
81.03440	4.7
81.07062	100.0
83.04983	8.3
83.08618	20.6
85.02917	3.0
85.06552	5.4
90.57024	2.1
91.05486	79.2
93.07051	60.0
95.04964	13.2
95.08615	57.4
97.06527	11.4
97.10173	11.6
98.21443	4.7
99.04491	2.5
103.05508	3.0
105.07036	80.1
107.04942	8.5
107.08604	41.5
109.06526	7.4
109.10166	29.1
111.08079	3.7
115.05445	2.8
117.07030	30.1
119.08586	65.1
121.06499	6.9
121.10145	28.6
123.08075	9.0
123.11727	13.0
125.09676	4.8
127.07566	3.0
128.06219	6.0
129.07011	24.2
130.07780	2.7
131.08575	34.7
133.06471	5.5
133.10149	42.5
134.98178	10.7
135.08052	5.7
135.11705	15.5
137.09631	5.1
141.07014	7.2
142.07802	5.5
143.08575	24.4
145.06468	6.1
145.10123	39.8
147.08101	7.5
147.11676	41.8
149.09631	9.9
149.13293	6.0
155.08559	18.9
157.10130	23.4
159.08112	2.5
159.11688	28.4
161.09665	6.2
161.13280	6.7
163.11230	3.9
165.07024	3.3
165.12804	9.8
169.10185	15.9
171.11696	17.6
173.09633	4.8
173.13326	8.0
175.11237	5.0
177.12740	2.8
181.10172	6.3
183.11696	16.7
183.13145	3.2
185.13271	14.6
187.11176	2.5
187.14905	3.7
195.11784	7.3
195.13774	4.4
197.13318	14.1
199.06567	2.4
199.11163	3.1
199.14815	6.1
201.12770	3.7
207.13980	4.3
209.13303	6.3
211.14925	3.0
215.14342	2.6
221.13380	3.3
229.14305	3.4
239.17972	3.2
255.09119	3.6
257.19107	6.9
259.20367	2.8
267.09064	13.5
273.09967	3.8
273.18484	4.0
275.20065	64.1
285.10071	12.5
291.19705	3.4
299.11526	3.3
299.20227	3.7
299.53748	2.9
313.21707	3.3
315.23245	3.1
321.22275	2.7
324.11560	5.5
325.21634	3.3
327.23160	5.9
339.23279	3.4
340.12979	3.7
357.24283	3.0
415.30093	5.9
419.28342	3.8
423.32382	5.7
433.30984	19.5
443.31360	2.8
451.32053	30.4
459.34818	7.1
469.23294	17.7
469.33136	72.1
487.27335	5.6
487.34296	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
51.02386	1.2
53.03943	2.3
55.05519	13.6
56.96584	1.5
57.03424	1.7
57.07063	3.3
58.58416	1.4
67.05505	15.3
69.03436	2.9
69.07081	11.3
70.30443	3.9
77.29156	1.3
79.05498	16.4
81.03400	1.4
81.07058	29.4
83.04988	6.8
83.08634	13.4
91.05489	20.2
93.07055	27.6
94.06564	2.0
95.04951	4.8
95.08614	36.3
97.06538	7.0
97.10167	2.4
105.07038	57.4
107.08599	43.7
109.06528	3.3
109.10163	30.9
111.08084	7.1
117.07024	6.0
118.02507	1.2
119.04943	4.0
119.08591	64.5
121.06512	9.1
121.10153	40.0
123.08066	18.1
123.11728	10.1
125.09636	4.0
125.88734	1.3
129.06996	2.9
131.08574	25.1
133.10138	60.4
135.08058	12.3
135.11719	15.9
137.09618	11.5
137.13264	2.1
139.07527	1.5
142.07782	2.6
143.08566	10.3
144.09279	1.8
145.10130	36.5
147.04422	11.2
147.08049	5.0
147.11700	42.9
149.09630	7.4
149.13264	13.5
151.11227	1.7
153.09071	3.1
155.08578	1.6
156.09332	1.8
157.10149	15.1
158.10938	2.6
159.07980	1.6
159.11707	31.0
161.09622	9.6
161.13266	20.6
163.11188	5.6
163.14827	9.6
169.10144	3.7
170.10849	2.6
171.11720	13.1
173.09621	1.5
173.13278	35.4
175.11275	6.5
175.14836	52.6
177.12773	3.3
177.16396	12.3
179.10727	1.3
183.11661	3.3
185.13216	9.8
187.11125	1.5
187.14833	25.7
189.12779	7.0
189.16373	13.8
191.14293	19.9
191.17877	1.6
193.12201	2.8
193.15875	3.1
197.13271	3.0
199.14813	13.2
201.12781	2.1
201.16389	14.9
203.14366	7.9
203.17966	8.9
205.15851	7.8
211.14844	2.1
213.16325	9.0
215.14511	2.1
215.17961	6.3
217.15894	9.9
217.19423	1.7
219.13794	2.4
219.17407	7.8
221.15390	14.5
221.18852	2.2
225.16383	2.5
227.17952	2.8
229.15895	4.3
229.19498	2.8
231.17441	17.3
231.21069	3.1
233.15266	2.0
233.19090	2.9
235.16910	4.0
237.14771	2.3
241.19576	2.4
243.17427	1.6
245.19046	2.3
249.18533	26.9
257.18756	1.8
263.20111	5.9
267.20984	1.9
269.68134	1.4
275.20087	2.1
277.21606	10.7
293.21182	2.2
317.24786	1.8
321.21973	1.7
323.23303	1.8
325.14462	2.1
329.24683	3.6
341.24405	21.9
377.32187	3.1
387.30472	3.2
393.31256	1.9
395.29266	3.9
405.31552	16.2
407.33209	2.9
411.32214	2.3
423.32605	100.0
424.33029	3.2
425.34216	4.1
433.31140	9.8
439.31958	2.1
441.33698	70.5
451.32016	23.5
457.33435	1.8
469.33029	14.1
487.27707	3.7
487.34238	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	487.342
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
51.02356	1.3
52.32093	0.8
53.03938	2.4
55.01860	1.0
55.05508	10.1
56.96581	1.1
57.03412	1.3
57.07072	5.5
57.85622	0.8
59.05003	5.9
60.04514	0.8
65.03954	1.7
67.05177	1.1
67.05508	16.5
69.03411	1.7
69.07069	13.2
70.06584	1.7
71.04990	1.3
71.25469	1.0
71.57463	1.3
72.56554	0.8
79.05492	14.4
81.03398	1.6
81.07060	32.4
83.04980	6.0
83.08611	5.9
85.02926	1.5
85.06527	1.6
91.05479	20.5
93.07045	35.3
94.06540	1.4
94.12605	0.9
95.04951	3.4
95.08611	49.4
97.02882	1.4
97.06552	3.9
97.10151	2.4
98.97572	0.9
99.08083	1.2
103.05502	1.4
105.04504	1.2
105.07030	59.5
107.08598	52.5
109.06530	3.8
109.10156	26.8
111.08088	11.6
112.07613	1.0
113.09606	1.0
115.05449	1.2
116.06219	1.2
117.07028	8.0
118.77479	0.8
119.04932	3.2
119.08584	85.0
120.08097	0.9
121.06502	9.2
121.10146	41.7
123.08064	13.0
123.11697	6.9
125.09637	3.1
128.06235	1.4
129.07034	5.3
130.07764	1.4
131.08565	30.8
133.06529	1.5
133.10132	55.7
134.10393	0.8
135.08069	6.6
135.11694	19.3
137.09619	8.1
137.13255	2.4
142.07777	4.0
143.08560	10.7
144.09341	3.3
145.10126	59.4
147.04393	8.5
147.08080	6.6
147.11687	46.8
147.12595	0.8
149.09639	5.6
149.13254	21.0
151.11168	2.7
155.08562	3.0
156.09337	3.0
157.10130	19.9
158.10924	3.4
159.11703	48.2
160.12440	1.5
161.09631	14.6
161.13254	24.8
161.14607	1.4
163.11180	7.9
163.14836	14.8
165.09203	1.7
165.12746	2.5
169.10138	5.3
170.10822	1.8
171.11690	19.0
172.12434	1.6
173.09653	2.2
173.13261	49.8
175.11328	7.1
175.14827	74.4
177.12752	7.5
177.16382	19.6
177.17761	0.6
179.14305	1.5
181.10266	1.1
182.11020	1.0
183.11694	4.6
184.12448	1.7
185.13268	17.6
187.11188	3.0
187.14824	44.6
189.12770	14.0
189.16376	22.2
191.14311	29.0
191.17935	4.0
193.12231	2.8
193.15891	5.5
197.13260	6.1
198.14001	1.1
199.14833	20.9
201.12785	5.3
201.16379	27.3
203.14319	14.4
203.17949	10.7
205.15877	10.0
207.13803	0.9
209.13301	2.0
211.14810	4.8
213.12848	1.4
213.16399	16.6
215.14362	7.3
215.17961	8.1
217.15869	14.5
217.19530	2.0
219.13802	3.1
219.17436	12.5
221.15373	27.6
221.18835	1.4
223.14819	1.7
225.16380	2.2
227.14273	1.4
227.17978	3.8
229.15862	6.5
229.19508	2.4
231.17426	23.8
231.20963	1.2
233.15408	3.3
233.18999	3.5
235.16826	4.9
237.14670	2.0
239.17955	2.2
241.19490	2.7
243.17441	3.0
243.21088	1.6
245.18967	2.4
247.16908	2.4
249.16209	1.4
249.18462	9.0
253.19420	2.1
255.20966	1.1
257.19083	2.3
259.16998	1.1
259.20517	1.2
261.18564	2.4
267.20837	1.5
271.20615	1.6
275.19995	1.5
277.21628	2.5
281.22705	1.4
285.22089	0.9
299.23584	1.7
311.23572	1.2
317.24988	1.0
325.25299	2.1
337.24973	1.6
341.24353	15.2
349.25003	1.4
365.28391	2.1
375.30417	3.7
377.32291	1.4
387.30338	3.7
393.26868	1.2
393.31546	14.8
395.33057	2.6
403.29944	0.9
405.31567	28.2
405.37036	1.5
407.33093	4.5
411.32590	22.5
413.34500	1.0
415.30078	1.8
421.30920	8.9
423.32590	100.0
424.32999	1.9
425.34164	5.6
433.31036	13.8
439.31976	5.6
441.33640	64.8
442.33643	1.1
451.32050	26.5
457.33032	1.0
469.33093	17.8
487.28015	3.2
487.34268	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01877	0.7
55.05500	2.2
55.14520	0.6
57.34050	0.5
57.34847	0.6
65.72582	0.6
67.05503	3.1
68.63705	0.6
69.03421	2.3
69.07069	2.8
69.24387	0.5
69.43919	4.6
71.04997	2.2
77.38318	0.5
79.05499	3.2
81.03410	2.4
81.07063	8.1
83.08614	1.5
85.02916	4.2
87.00817	2.1
91.05468	2.0
93.07047	5.3
95.08618	4.6
97.02888	2.9
97.06515	2.3
99.04461	0.8
99.08074	0.7
105.01835	1.3
105.07032	4.9
107.08614	6.9
109.02896	1.2
109.10155	4.5
115.03916	0.7
118.49464	0.5
119.08598	5.8
121.10154	2.6
123.11720	3.0
124.29255	0.5
125.13307	0.7
127.03933	2.6
127.11198	1.4
131.08559	0.9
133.10132	3.6
135.11705	6.7
137.13255	0.8
143.10654	0.9
145.05009	0.9
145.10118	1.2
147.04431	2.2
147.08090	0.6
147.11685	3.7
149.13303	1.8
153.12766	0.9
159.11696	1.3
161.13243	1.4
163.14890	0.9
195.15480	0.6
203.17949	5.2
205.19553	0.9
219.17305	0.5
221.19077	3.0
231.05063	1.2
233.21298	0.7
234.20581	0.6
251.11259	1.7
267.07635	0.8
269.12460	3.5
287.13419	1.5
311.20111	0.6
325.16049	1.4
341.24460	1.4
389.11615	0.6
469.25974	1.7
487.21506	100.0
488.21561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.01865	10.0
55.05515	20.3
56.96550	9.8
57.03436	7.9
57.07069	9.5
59.96150	2.8
60.04515	8.8
61.02918	5.3
65.03923	5.6
67.05220	3.4
67.05505	32.3
68.05793	2.9
69.03430	33.2
69.07069	41.4
70.06579	9.7
71.04974	13.8
71.57069	3.1
71.57466	3.1
72.08134	3.0
73.19394	3.2
79.05496	32.5
80.05011	8.9
80.05813	3.6
81.03424	25.8
81.06583	5.6
81.07057	100.0
82.06571	5.9
82.07384	21.1
83.04982	10.1
83.08636	20.3
84.08147	3.9
84.96033	3.0
85.02908	42.9
85.06528	5.9
86.09700	10.9
87.00809	15.4
87.39735	3.1
91.05476	18.9
93.07050	39.2
94.06564	8.3
95.04964	16.3
95.08598	41.6
96.04498	4.1
97.02889	32.1
97.06522	41.7
97.10136	6.4
98.97570	15.2
99.04462	7.3
99.08095	5.5
105.01859	12.2
105.07037	28.3
107.04967	5.5
107.08596	49.0
108.08843	3.3
109.02885	15.3
109.06512	4.2
109.10173	32.5
110.06038	4.7
110.97543	3.3
111.04440	6.7
111.08057	9.8
111.11732	5.9
114.05489	3.4
115.03921	7.4
117.07018	5.2
119.04941	7.4
119.08601	28.1
120.08126	3.4
121.06426	3.5
121.10165	23.5
123.08069	7.5
123.11710	25.2
125.09675	3.4
125.13273	8.6
127.03892	26.2
127.11183	7.2
129.06995	3.5
131.08586	8.0
133.10165	18.5
135.04390	3.0
135.11696	38.0
137.09608	6.4
137.13239	5.7
143.10690	4.6
145.04959	10.6
145.10103	14.2
147.04398	30.3
147.11707	16.6
149.13261	23.1
153.12689	10.8
157.10097	3.8
159.02863	3.7
159.07835	3.4
159.11697	10.3
161.09657	3.7
161.13257	8.2
163.03944	21.1
163.14838	4.9
165.09126	17.3
171.11673	6.8
172.06093	3.4
173.13182	4.7
175.14825	3.8
189.09108	3.6
203.17993	21.6
205.19519	10.8
215.07040	4.0
221.19025	61.5
223.13304	5.9
223.20798	3.6
225.12753	4.0
228.08620	12.9
229.08981	11.1
231.04959	3.3
237.02905	5.3
239.20059	14.0
245.19041	4.8
253.22784	4.0
259.09726	22.1
260.09787	4.2
267.07712	6.1
283.26245	4.5
305.11151	3.3
340.57208	3.6
341.24380	32.2
401.23456	5.1
423.25739	7.7
437.18219	12.6
441.26682	8.5
451.24966	13.7
455.19693	3.3
459.27771	11.5
469.26270	64.6
479.19498	5.8
487.18909	13.4
487.27423	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42701	1.0
55.05520	1.4
56.96564	13.8
67.05497	2.6
71.95257	2.5
72.96046	1.3
79.77477	1.1
81.07037	2.3
91.05482	1.2
93.07034	1.6
95.08624	1.4
98.97566	1.5
102.92622	3.7
105.07033	1.3
110.97587	2.3
112.99193	1.0
117.14613	1.0
118.92071	14.3
119.08557	1.4
123.11783	1.2
128.98607	2.5
136.93118	31.7
150.94669	14.3
150.95624	13.2
154.94179	26.8
168.95750	64.5
170.34004	1.1
170.99084	1.3
172.95241	18.2
177.95793	3.0
186.96800	100.0
189.00154	1.3
190.96283	3.4
191.97255	6.0
195.96921	1.9
204.97862	32.8
204.99750	2.2
208.98828	1.1
209.98418	13.6
210.96811	7.8
212.98341	1.5
224.98396	8.9
226.99944	3.4
227.99460	2.4
228.97847	11.7
233.00095	1.6
242.99413	15.8
245.00903	2.1
246.99026	2.1
247.99919	2.5
261.00558	1.3
266.01114	1.4
315.27896	1.4
317.17838	2.5
319.19437	46.7
335.18997	2.6
337.20508	47.9
337.26917	1.9
360.22104	11.9
399.16125	2.5
413.17621	5.7
427.19345	9.6
431.18564	2.7
445.20172	1.4
454.20462	1.5
455.18777	13.3
464.23364	1.6
469.20276	11.3
473.19791	59.6
487.21524	59.4
487.36795	3.3
496.21405	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	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05505	0.4
56.05046	0.6
56.26614	0.4
56.96560	0.9
60.04526	0.6
60.08147	0.7
67.05507	0.7
69.03426	1.2
69.07069	0.8
70.06599	5.0
71.06923	0.4
72.08160	0.9
74.06088	0.4
75.04484	0.4
79.05457	0.5
81.07050	1.6
83.04988	0.9
84.04522	0.7
84.08154	1.9
85.02901	1.0
86.09709	6.4
87.10043	0.6
91.03963	0.4
91.05476	1.6
93.07037	0.9
94.06561	0.4
95.04972	1.0
95.08623	0.7
96.08177	0.4
97.02888	0.7
97.06522	1.4
97.08915	0.6
98.97565	0.7
104.10740	3.2
105.07008	0.5
107.04958	0.9
107.08566	0.5
110.09686	1.1
111.04434	0.6
111.08088	0.4
112.99127	0.5
116.98591	0.4
119.04959	1.2
119.08574	0.6
125.00014	0.8
129.10231	0.5
131.05019	0.4
131.08600	0.5
133.10141	0.6
135.04399	0.4
136.07628	0.5
137.05936	0.8
145.02824	0.6
145.04927	0.5
147.04425	3.5
147.06506	0.4
152.03430	0.5
154.85172	0.4
163.03918	1.2
178.15933	0.5
184.07353	3.0
185.07770	0.9
187.07578	0.4
193.07115	0.5
203.05371	0.8
215.07153	0.5
229.15561	0.5
251.08755	0.4
252.09491	0.5
253.22807	3.7
259.07700	1.0
259.10214	0.7
260.09967	1.3
269.12384	1.2
309.25555	0.5
325.16202	1.8
327.26279	0.7
341.24319	0.7
409.26996	0.4
427.16571	1.7
452.16156	0.7
459.28638	0.5
469.18347	0.6
469.28979	0.6
487.21497	100.0
488.21796	1.8
488.28607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2158
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.75854	0.2
63.12262	0.2
64.68524	0.2
67.05518	0.2
67.68604	0.2
69.07072	0.3
70.22301	0.4
70.22681	0.4
81.07079	0.3
95.08627	0.4
96.90218	0.2
97.06565	0.3
109.02913	0.2
118.44171	0.2
133.03481	0.4
133.10187	0.2
135.11745	0.2
143.01866	0.3
147.04378	0.3
159.11597	0.2
161.03029	0.3
167.69412	0.2
185.04384	0.3
185.06474	0.2
197.10252	0.3
201.06181	0.3
203.18092	0.2
221.10248	0.2
225.13351	0.4
245.58505	0.2
251.11301	2.1
269.12372	2.2
281.17258	0.2
287.13416	1.1
325.15738	2.4
341.24173	0.3
399.25763	0.2
443.22614	4.6
469.19666	0.3
487.21487	100.0
488.21832	1.6
513.53247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48040	0.3
55.05507	0.6
56.96564	0.8
67.05509	1.1
69.03429	0.8
69.07074	0.6
71.57159	0.6
73.02916	0.6
79.05505	0.8
81.03431	0.6
81.07059	1.2
84.08197	0.4
85.02918	0.8
85.05318	0.3
86.09715	0.4
91.05482	1.0
93.07034	0.7
95.04977	0.5
95.08630	0.4
95.35812	0.4
97.02913	0.6
97.06526	0.9
98.97574	0.9
107.08612	0.4
109.10178	0.5
116.98626	0.5
119.01937	0.8
119.08608	0.6
121.10162	0.5
127.03975	0.5
131.00168	0.7
133.10193	0.5
161.02985	0.6
165.06143	0.5
185.04269	0.4
189.06084	3.0
207.07004	0.5
213.06018	0.6
219.09648	0.4
223.06311	0.4
227.05272	0.9
231.07201	0.5
239.16144	1.7
245.06380	0.7
267.15692	0.4
269.10474	0.5
271.04327	0.7
273.08246	0.7
293.05414	0.5
311.11200	0.5
313.16162	2.1
330.98251	0.4
355.17361	4.4
378.24310	0.5
399.16177	2.8
401.21274	4.3
425.21158	0.4
443.22437	15.2
455.18839	0.4
487.21552	100.0
488.21936	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.05033	0.9
56.96561	1.0
57.03423	0.5
58.84589	0.4
60.04520	1.4
61.02928	0.5
65.26127	0.4
67.05504	1.6
68.05032	0.7
69.03425	1.0
69.07067	1.5
70.06592	5.7
71.45886	0.4
71.57203	0.7
72.08154	1.6
73.02857	0.4
75.04465	0.4
79.05505	2.1
80.05027	0.4
81.03405	0.9
81.07066	2.7
82.06581	0.7
83.04974	0.8
83.08624	0.5
84.04510	0.9
84.08162	2.1
85.02906	1.4
86.09712	6.6
87.10045	0.5
89.03941	0.5
91.04047	0.4
91.05470	2.5
93.07050	1.7
94.06575	0.8
95.04965	1.4
95.08612	2.8
96.08133	0.8
97.02916	1.0
97.06557	2.3
97.08924	1.4
98.97588	1.0
102.05515	0.6
103.05452	0.5
104.10739	0.5
105.03393	0.5
105.07021	2.9
106.05042	1.2
107.04953	0.9
107.08589	2.3
108.07480	0.4
109.02892	0.8
109.10164	1.9
110.06008	0.4
110.07182	0.5
110.09690	2.3
111.04423	0.6
111.08064	0.8
116.07049	0.4
116.98563	0.4
117.03365	1.4
117.07076	0.8
119.04951	1.0
119.08590	2.6
120.08126	0.9
121.10147	2.0
123.04443	0.6
124.11221	0.8
127.03948	1.5
127.08688	0.6
129.05548	0.4
129.10312	0.4
131.08580	1.8
133.02853	0.8
133.06609	0.4
133.08806	0.7
133.10136	2.2
135.04405	0.8
135.11662	0.5
137.05992	1.8
143.08548	0.9
145.02864	4.7
145.10147	2.4
147.04442	4.8
147.11725	1.7
148.11224	4.5
149.05988	0.6
149.13293	0.7
157.10176	0.8
158.99640	0.5
159.09172	0.9
159.11696	1.8
161.06052	0.5
161.13284	1.3
163.03961	1.8
163.07562	0.9
163.14761	0.7
164.04306	0.6
173.13312	1.4
175.07559	0.5
175.14848	1.0
177.05498	5.3
177.09070	0.4
177.16422	0.6
178.04901	0.5
178.15993	1.0
179.03511	0.7
184.07475	0.5
185.13300	1.1
186.12355	0.6
187.07489	0.5
187.14865	2.7
189.16423	1.1
191.14351	1.2
192.17603	0.5
193.07190	0.6
199.14841	1.2
199.18085	0.7
201.16431	1.2
203.05315	0.6
203.17950	1.6
205.15787	0.8
206.08984	0.5
206.99683	0.7
208.20622	0.5
209.15280	0.5
215.05518	0.6
219.08118	0.6
220.06209	0.6
221.01175	0.5
221.15285	0.6
223.21732	0.5
225.00746	1.0
229.15634	0.4
236.20091	0.7
238.21555	0.9
243.01822	0.5
250.21684	0.8
251.10992	0.7
253.22780	15.9
260.10022	0.8
269.12381	1.4
273.23383	0.6
275.16122	0.5
278.21121	0.7
279.10172	0.6
279.21570	1.7
281.03311	0.6
291.24182	0.7
305.03296	1.0
306.20721	1.2
307.21027	2.4
309.25403	2.6
311.12891	0.8
311.26978	6.4
325.16425	2.4
325.21851	0.7
327.26474	1.6
329.03220	2.5
335.09583	0.7
347.04419	6.6
353.24545	0.5
363.10538	0.4
365.05609	2.1
370.05981	0.8
371.04276	1.1
389.05536	2.2
398.64569	0.5
399.04123	0.8
405.31509	0.7
441.33771	0.5
452.16559	0.5
459.28442	1.0
487.21558	100.0
487.27768	5.6
487.32022	3.6
488.21854	1.4
488.28632	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.96557	0.5
67.05529	0.8
69.07065	1.1
71.21805	1.0
71.35110	0.5
79.05504	1.2
81.03427	1.3
81.07085	0.9
85.02930	0.6
90.08765	0.6
91.05486	0.9
93.07059	1.0
97.02852	0.6
97.06521	1.2
105.07029	0.7
109.02909	0.9
119.08625	0.6
147.11707	0.6
173.77081	0.5
189.06110	1.2
205.98128	0.5
227.05435	0.6
239.16298	1.0
245.06453	0.6
307.19043	0.6
313.16284	2.3
355.17307	4.8
399.16183	2.8
401.21198	3.9
419.21338	0.5
443.22540	12.7
487.21552	100.0
488.21646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10894	0.7
53.03945	1.7
55.01870	2.3
55.02547	0.7
56.05034	1.1
56.96570	0.7
57.03426	3.2
61.02925	1.4
61.98454	0.8
69.03426	14.8
69.78075	2.9
69.78504	2.1
70.06586	3.5
71.01332	1.1
71.04991	5.3
72.08171	1.4
73.02893	1.6
79.05436	0.8
81.03418	16.1
82.81399	0.8
84.04501	2.0
84.08146	2.3
85.02917	3.9
86.09700	5.7
91.03970	0.8
91.05484	1.3
97.02892	1.1
98.09690	1.5
98.97604	1.2
99.04465	6.0
114.18997	0.9
117.05505	1.3
118.06560	3.9
119.04957	1.0
129.10262	2.3
129.83246	0.7
136.07613	1.4
145.05020	1.0
145.07654	4.6
147.04436	2.8
147.09198	6.3
163.08679	1.2
168.51108	0.8
173.07094	7.8
175.08673	6.5
177.00650	0.8
184.07393	6.0
184.87062	0.9
185.07663	1.7
191.08163	100.0
233.09256	1.3
289.11725	2.6
307.12885	27.3
324.59790	0.9
325.13956	81.1
326.14133	2.2
427.15369	1.2
487.18433	1.4
487.27533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43212	0.5
52.60922	0.6
55.05509	1.0
56.96296	1.1
56.96564	17.1
58.40390	0.6
65.03931	2.0
67.05492	3.4
69.03419	1.0
69.07062	0.8
70.06602	3.4
71.04990	1.9
71.56996	0.6
71.95267	0.9
72.08151	1.1
73.02899	1.0
79.05485	1.0
81.07052	0.9
84.04501	3.4
84.08122	1.8
84.96046	3.6
85.02911	1.5
86.06071	3.2
86.09708	4.8
91.05482	1.6
93.07031	1.6
95.04974	79.3
95.08648	0.6
98.09703	1.1
98.97588	50.4
99.04467	4.1
105.07036	1.1
107.08586	1.4
109.06503	1.2
110.97568	6.0
111.08105	1.0
112.99142	0.9
113.27216	0.6
115.00679	0.7
116.98630	18.9
119.04929	0.7
120.08065	1.1
124.99138	1.0
127.00682	2.1
128.98618	5.9
130.05002	2.2
131.00165	1.3
133.10126	3.5
134.99657	4.3
135.08022	1.2
140.00151	0.8
141.02249	1.1
143.00177	2.7
144.98120	0.7
145.01776	1.4
146.99640	1.7
147.04399	2.9
153.09094	4.1
155.03682	0.8
158.99667	14.4
159.03288	1.2
161.01250	1.5
173.04819	0.7
177.00720	13.9
183.03340	0.8
184.07260	0.8
189.00729	1.0
189.98399	0.6
195.07014	1.9
197.04828	1.3
205.05455	1.0
213.07997	2.5
216.44472	0.6
219.01756	11.9
221.08508	4.2
223.06577	1.3
237.02809	11.1
237.07980	1.4
239.09550	9.8
247.10016	2.9
249.11765	0.9
255.09039	1.1
257.10648	2.2
260.04443	0.8
263.09518	1.3
265.11081	9.4
279.03857	2.0
281.10724	2.9
283.12201	9.6
289.11020	4.1
290.21136	0.6
297.20172	0.6
299.11469	1.5
301.13092	5.4
307.12170	10.0
307.15295	1.1
311.11694	0.8
313.71530	0.7
325.13211	10.0
337.13235	1.2
343.14243	2.7
343.42679	0.6
355.14355	0.8
367.14221	3.0
373.19699	2.0
385.15442	1.4
401.15112	0.8
409.15268	2.6
427.16428	100.0
428.16672	1.2
445.17627	5.5
487.18079	24.6
487.28281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2702
Annotation	Mesaconine
Peak:m/z	Relative Intensity
53.03942	1.4
53.97135	1.4
55.01874	5.6
55.05511	6.2
56.05033	2.7
56.96584	1.7
57.03438	2.3
60.04524	15.2
67.05510	14.3
68.05046	6.8
69.03432	24.8
69.07063	5.5
69.26978	5.2
69.27403	6.9
70.02959	5.0
70.06598	4.5
71.05001	11.5
72.04524	4.4
72.08165	1.7
73.02927	2.0
79.05501	11.0
80.05016	8.8
81.03431	5.3
81.07059	16.0
82.06593	7.7
83.04990	3.8
83.08653	2.9
84.04527	4.3
84.08131	1.3
85.02909	4.6
86.06086	3.3
87.04468	1.5
91.05476	8.1
93.05824	1.7
93.07058	11.3
94.06582	7.9
95.04990	5.6
95.08618	9.7
96.04506	5.6
96.08158	3.8
97.02893	26.1
97.06537	19.7
98.06071	5.0
98.20722	3.0
98.97613	3.3
99.04458	1.9
100.03994	4.2
100.89948	1.2
105.07033	7.1
106.06593	2.6
107.08620	5.6
108.08132	3.6
109.02892	1.7
109.06602	1.6
109.10188	4.4
110.06039	9.1
110.09666	1.4
111.08112	2.4
112.07619	2.4
114.05547	3.5
116.98620	1.2
118.06580	2.7
119.05031	1.8
119.08608	5.1
120.08151	4.1
121.06496	1.7
121.10155	4.0
122.06081	3.3
123.06825	1.9
123.08154	1.7
123.11726	2.3
126.05563	2.1
127.03944	2.3
128.07098	2.9
131.08615	4.7
132.06581	9.8
133.10107	3.0
134.09691	2.4
135.08081	2.8
135.11734	1.5
136.07561	1.7
138.05544	2.9
140.07108	3.0
143.08614	2.0
145.10197	3.6
147.04448	3.5
147.11755	1.7
148.07578	2.7
149.01266	1.7
150.09161	2.2
159.11688	1.8
166.08618	1.3
172.06032	9.6
172.07387	1.3
200.09349	1.5
210.07671	1.9
212.09209	1.7
224.07961	1.5
224.20183	3.1
228.08676	49.8
234.18578	1.5
237.18660	2.3
238.18661	2.0
248.19832	1.3
262.21732	1.8
264.64938	1.3
272.20288	2.1
290.21295	6.8
308.22232	1.3
326.23306	2.9
336.21835	2.3
341.24356	2.1
354.22754	2.3
358.23871	2.0
372.23761	2.7
376.25110	2.6
382.22363	1.9
386.23178	2.4
394.26117	3.6
400.23331	9.4
404.24234	10.3
412.23148	1.9
422.25452	35.8
426.21112	1.5
432.23853	3.3
440.26450	23.4
441.26999	1.4
450.24826	20.2
458.27481	22.6
468.25912	100.0
469.26474	1.9
486.12390	2.7
486.27222	91.4
487.28177	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2702
Annotation	Mesaconine
Peak:m/z	Relative Intensity
52.55871	0.5
53.03946	0.9
55.01886	2.4
55.05513	4.9
56.05025	0.9
56.96575	0.6
57.03442	1.1
57.33981	0.4
60.04516	1.7
61.02941	0.7
67.04242	0.5
67.05508	5.2
68.05022	1.9
69.03430	4.4
69.07077	2.2
70.02973	0.6
70.06590	1.5
71.04988	1.7
72.04510	0.7
72.08143	0.5
72.80125	0.4
73.02920	1.2
73.52807	0.4
74.84832	0.4
79.05503	4.7
80.05026	3.4
81.03422	5.3
81.07061	4.5
82.06580	1.3
83.04987	3.4
83.08627	1.6
84.04481	1.2
84.08133	1.0
85.02922	2.5
85.06544	1.0
86.06103	0.9
86.09697	1.0
87.04486	0.5
91.05481	3.6
91.51192	0.4
93.07061	3.9
94.06580	2.5
95.04971	2.3
95.08603	3.2
95.57394	0.5
96.04506	2.6
97.02879	1.3
97.06528	4.6
97.10178	1.8
98.06068	2.5
98.21587	0.8
99.04482	0.7
100.03996	0.7
105.01899	0.4
105.07060	1.7
106.06569	1.1
107.04967	0.9
107.08618	2.5
108.04488	0.8
108.08133	1.1
108.08893	0.6
109.02877	1.3
109.06530	1.2
109.10180	2.8
110.06056	3.6
110.09724	0.5
110.59317	0.4
111.04453	1.7
111.08078	4.4
112.03982	1.3
112.07626	0.8
112.08384	0.4
114.05528	0.9
118.06573	0.7
119.04922	1.1
119.08570	1.2
120.08093	1.8
121.06499	1.1
121.10146	2.0
122.06046	1.9
122.09634	0.5
122.10497	0.7
123.04433	0.5
123.08086	0.5
123.11684	0.5
124.03962	0.9
124.07584	1.3
125.09628	1.6
126.05549	1.2
127.03925	1.4
128.03432	1.1
129.05496	0.8
129.07027	0.5
130.06500	0.5
131.08565	1.3
132.08118	0.7
133.10179	0.7
134.05995	0.9
134.09642	0.5
135.08049	1.0
135.11693	2.0
136.03947	0.7
136.07602	1.7
136.12051	0.9
137.09631	0.9
138.05516	1.7
139.03882	0.5
140.07100	0.9
145.10120	1.1
146.06012	0.6
147.04440	2.9
147.06581	1.1
147.11656	1.1
148.07529	1.4
150.05525	1.0
150.09093	0.7
152.03441	0.8
152.07114	0.8
154.05000	1.0
156.06575	0.8
157.04980	0.7
157.10114	0.6
159.11790	0.5
160.07568	0.7
161.13234	0.9
163.03870	2.6
164.07065	0.7
164.47978	0.4
166.05019	2.0
166.08655	1.1
168.06633	0.8
172.06056	2.8
173.02397	0.8
174.07707	0.7
176.07118	1.5
179.14297	0.7
182.04579	0.6
184.06068	1.9
186.07645	0.7
189.12801	0.7
191.14261	0.8
193.07083	2.2
194.08188	2.0
200.05569	2.2
203.14429	0.7
206.08258	0.7
209.15417	1.3
210.07738	0.9
212.09232	1.3
215.07082	1.2
216.07307	0.5
219.17456	3.3
220.17795	5.1
222.07681	2.8
224.05496	0.6
229.08592	0.5
231.10176	1.2
237.18523	0.8
238.07053	0.7
238.18913	1.0
238.69742	0.6
240.08665	3.9
240.76662	0.5
252.19704	0.6
254.06543	0.7
256.08221	1.2
258.08981	0.5
259.09695	5.3
264.19839	0.7
276.41953	0.5
277.10568	0.6
290.21219	0.7
293.67636	0.5
305.11136	0.5
306.20618	0.7
327.26355	0.6
330.20709	0.4
342.22961	0.7
344.18127	0.5
346.16092	0.5
346.20251	1.0
354.22894	1.0
364.21039	0.9
374.19397	0.9
382.22360	1.2
392.20563	1.1
398.25674	0.7
402.22916	0.8
404.24243	0.6
406.22092	0.6
410.21872	1.9
420.23773	2.4
422.25400	2.2
424.27344	0.6
432.23779	2.7
438.25189	1.1
440.26645	3.2
450.24881	7.8
451.15887	0.6
458.27536	2.9
468.25964	100.0
469.26392	1.0
486.19986	1.6
486.27032	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	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01057	0.9
51.04621	0.8
54.99599	0.8
55.05510	3.8
55.44144	0.8
57.03439	7.7
57.07080	28.2
59.05003	0.8
59.31302	0.8
59.45655	0.7
67.05503	6.4
69.07079	5.4
69.36970	2.3
69.37379	4.0
71.08631	15.3
76.66892	0.9
79.05479	1.4
81.07056	6.1
81.75182	0.7
83.08623	5.4
85.10194	7.1
89.05994	0.9
95.08615	10.9
95.47629	0.7
97.10166	1.9
98.21467	1.4
98.98475	7.0
101.23811	0.9
103.07572	1.1
109.10152	4.6
123.11705	1.8
132.53455	0.9
133.10149	2.7
155.01060	2.8
173.02109	1.0
239.23741	1.9
257.24783	0.9
273.75690	0.8
275.93994	0.8
294.40396	0.9
313.27377	100.0
314.27640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05519	4.7
57.03427	0.7
57.07072	1.1
57.55339	0.5
59.04996	0.5
59.86076	0.4
62.06102	0.5
65.03927	1.2
67.05508	8.0
69.03428	0.6
69.07058	1.9
70.52576	1.7
71.04998	0.6
71.20347	0.5
77.85121	0.5
79.05511	4.4
81.03434	2.3
81.07059	6.0
83.04966	1.1
83.08604	1.9
85.02885	2.3
85.06547	1.6
87.04465	0.6
91.05485	44.9
93.07083	3.0
95.04984	1.3
95.08597	2.0
97.02895	0.9
97.06556	1.4
97.10198	2.7
103.05482	0.5
104.06248	3.0
105.07040	10.0
107.08603	2.1
109.06542	0.8
109.10171	4.7
111.08072	1.8
117.07022	1.1
119.08585	1.2
121.10165	1.1
123.08065	0.8
125.09627	2.5
127.07608	0.6
131.08568	1.7
133.10138	100.0
134.10521	0.7
135.11711	1.1
144.49185	0.5
145.10139	1.1
147.08057	2.9
149.09593	2.6
149.13252	1.5
153.09082	0.8
159.11725	1.0
162.87517	0.4
163.11188	1.7
171.10229	0.9
173.09613	1.1
173.11812	2.6
173.13100	0.6
177.12814	1.0
189.11243	0.9
191.10631	0.6
193.12228	0.9
195.13849	2.2
209.11652	0.5
313.27393	0.7
321.69998	0.6
423.91864	0.5
485.20316	6.1
485.34637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.0
55.01874	14.0
55.05509	20.2
57.03417	6.7
61.02918	12.1
63.42093	4.2
67.05505	29.3
68.99788	8.1
69.03434	38.2
69.07065	17.5
69.51222	3.7
70.06586	4.1
71.04994	24.0
71.57375	5.2
73.02922	5.2
79.05488	24.5
81.03427	52.8
81.07063	77.6
83.04963	12.4
83.08613	8.4
85.02911	68.5
85.06531	4.6
86.09713	5.5
87.00828	21.7
91.03957	4.2
91.05486	31.5
93.07043	49.4
95.04955	13.5
95.08607	39.0
97.02891	28.1
97.06525	16.7
99.04482	9.1
99.08093	14.5
105.01859	12.1
105.07037	71.3
107.04977	4.6
107.08602	43.8
109.02886	32.4
109.06519	11.6
109.10149	47.9
111.04465	3.7
111.08096	7.5
115.03944	4.1
117.01959	4.1
117.07045	11.2
119.08594	51.8
121.06532	4.7
121.10153	36.0
121.34358	3.6
123.08060	7.7
123.11732	23.4
125.09628	18.1
127.03933	50.9
127.07542	18.8
127.11185	14.3
129.01837	5.2
129.07108	3.5
131.08615	19.1
133.10144	67.9
135.11679	27.2
137.09645	10.9
142.07716	6.1
143.08539	5.6
143.10672	16.4
145.04948	15.0
145.10138	31.5
147.03075	4.2
147.04359	9.3
147.11697	86.0
149.09648	5.3
149.13251	7.0
151.11174	12.2
153.12770	9.2
155.10680	15.0
157.10130	10.6
159.02931	12.3
159.11714	27.6
161.09663	5.3
161.13293	12.8
163.11227	10.3
164.11575	5.1
165.12796	5.6
171.11586	5.4
173.04477	6.7
173.09589	4.9
173.13235	4.8
175.11156	4.9
175.14853	5.4
177.09099	4.3
184.07332	8.8
188.67166	4.4
191.17966	7.5
193.15851	8.6
201.16389	26.5
203.17992	10.2
213.04033	4.5
214.12402	4.1
219.17444	62.8
231.04985	8.8
231.17413	4.6
237.14685	4.2
237.18445	26.7
256.16299	9.4
259.04581	4.8
259.09604	4.6
279.16367	3.8
279.19763	4.4
365.15332	7.5
384.19693	4.3
439.18909	10.7
449.21774	7.2
467.22745	6.3
485.12698	8.4
485.19733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01859	3.7
55.05521	8.7
56.96556	4.5
57.03419	4.6
57.07067	1.9
59.05001	1.7
61.02917	4.7
62.15713	1.3
67.05499	12.1
68.99783	2.6
69.03432	19.7
69.07059	11.4
70.06591	4.1
71.05000	12.5
71.57442	1.6
72.08125	1.5
73.02895	2.4
78.14352	1.3
79.05478	12.8
81.03419	20.7
81.07055	31.7
82.06545	1.6
83.04965	5.6
83.08608	3.8
84.08134	2.7
85.02911	28.1
85.06531	3.9
86.09682	3.9
87.00832	8.1
91.03957	2.8
91.05473	13.3
93.07047	20.2
94.06562	1.6
94.07330	1.5
95.04987	7.7
95.08606	17.4
97.02893	11.8
97.06513	8.7
97.08871	1.4
97.10161	1.7
98.97561	5.9
99.04488	6.8
99.08086	3.4
101.02351	1.5
105.01849	6.2
105.07032	31.1
105.07685	2.7
107.08591	17.9
109.02879	22.6
109.06518	4.6
109.10167	18.2
110.07204	1.7
111.04431	2.4
111.08067	4.0
112.11080	1.3
112.99150	3.1
113.02330	1.6
117.06985	2.8
119.04897	3.3
119.08582	22.4
120.08039	2.2
121.06548	2.7
121.10137	18.2
123.08061	3.7
123.11724	12.2
125.09669	8.1
127.03917	20.4
127.07585	3.9
127.11199	5.1
129.01831	1.9
131.00179	3.5
131.08566	9.2
133.10133	30.9
135.11687	7.6
137.06001	1.6
137.09622	4.9
139.11188	1.5
139.93031	1.6
143.08588	2.6
143.10654	3.9
145.02841	2.0
145.04973	4.4
145.10098	13.8
147.03261	1.6
147.04405	11.4
147.08031	1.5
147.11694	31.8
149.09619	1.8
149.13237	5.1
151.11188	4.8
153.12740	2.2
155.10661	4.8
157.10114	4.8
158.99602	3.2
159.02904	4.3
159.11693	12.5
161.13277	4.7
163.11179	4.9
171.11743	2.1
173.04477	2.8
173.09593	1.8
173.13249	3.6
175.11099	1.5
175.14844	4.4
177.00758	2.7
177.05740	1.7
177.12773	1.4
182.59070	1.5
191.17900	3.5
193.12231	1.8
193.15924	1.9
201.04031	1.7
201.16415	12.6
203.05304	1.4
203.17964	3.0
219.17445	25.1
229.15927	1.5
231.04990	4.9
237.18513	12.5
243.17339	2.7
259.04565	3.0
259.09772	4.2
261.18460	1.6
267.09091	5.2
268.10724	5.6
268.60880	1.9
273.23355	1.8
285.10181	3.2
291.24326	1.7
293.05643	1.9
305.13553	1.8
309.10013	2.5
323.14703	9.2
327.26379	3.5
339.26276	3.3
344.26303	1.7
409.20145	2.9
437.23816	6.1
447.66736	1.5
449.22241	4.0
467.24832	10.6
485.19913	100.0
485.30783	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01874	4.8
55.05513	18.8
56.96557	3.4
57.03429	6.3
57.07094	2.2
57.17955	1.6
59.04983	2.0
61.02924	5.7
67.05508	16.0
68.99781	3.3
69.03436	24.0
69.07072	14.8
70.06583	5.7
71.04995	22.1
71.57404	2.2
73.02921	3.9
79.05504	15.3
81.03419	19.4
81.07066	31.9
83.04986	24.1
83.08598	4.3
84.04475	2.1
84.08135	2.6
84.59297	1.6
85.02907	36.3
85.06548	4.4
85.23420	1.6
86.09690	7.6
87.00838	14.0
91.05482	18.7
93.07042	29.2
95.04945	5.1
95.08618	21.4
97.02909	12.5
97.06551	15.8
97.10134	2.5
98.06888	1.9
98.97586	3.5
99.04459	8.0
99.08083	6.3
105.01874	8.3
105.07030	33.4
105.96901	1.9
107.08598	25.7
109.02880	17.6
109.06508	3.6
109.10157	22.9
111.04382	3.2
111.08089	5.6
113.28399	2.1
117.07001	5.8
119.04918	3.2
119.08594	18.2
121.06527	3.3
121.10154	46.4
123.04423	2.6
123.08062	2.7
123.11703	10.6
125.09633	3.9
127.03939	26.9
127.07559	3.5
127.11178	5.7
129.01828	4.1
131.08601	15.0
133.10136	100.0
135.04411	2.1
135.07990	2.3
135.11703	22.6
137.06012	2.2
137.09651	3.8
139.11195	4.9
143.08574	4.4
143.10739	2.0
145.04938	6.4
145.10130	19.9
147.04445	5.4
147.11696	21.8
149.09662	2.1
149.13263	6.0
151.07466	1.9
151.11177	6.5
153.12740	14.0
157.10130	2.4
158.99698	3.9
159.02928	5.2
159.11690	18.5
161.02376	3.4
161.13258	4.5
163.03903	6.9
163.11179	8.0
163.12601	1.7
163.14879	2.4
164.04225	2.5
173.02373	4.8
173.04460	2.6
173.13159	3.4
177.12854	3.5
182.16934	2.2
184.07275	3.9
191.18008	9.6
201.16411	27.4
213.03941	2.1
215.07010	7.3
216.07243	3.1
219.17445	42.0
230.14780	2.2
231.05095	4.3
237.18515	44.4
255.15886	3.3
256.16248	4.8
259.09775	4.1
261.04077	1.7
261.10007	2.4
267.41174	1.9
270.17896	2.3
291.12375	4.0
292.12601	3.8
293.12756	5.7
327.19391	2.3
327.26352	3.3
449.22031	3.1
467.22366	3.2
485.19617	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.05503	0.4
57.03457	0.2
60.27382	0.3
69.03426	0.3
69.07057	0.3
69.33899	0.5
69.34296	1.9
70.06591	0.4
72.91714	0.2
72.98755	0.2
79.05487	0.3
81.03380	0.4
81.07063	0.5
85.02895	0.5
86.09708	0.2
91.05466	0.3
93.07043	0.3
95.08617	0.4
97.06526	0.8
105.07014	0.4
107.08611	0.3
119.08604	0.3
119.11097	0.3
127.03937	0.3
145.10182	0.2
147.04356	0.2
147.11760	0.3
151.25478	0.2
163.03938	0.3
163.11221	0.3
173.02335	0.3
184.07373	0.2
215.06969	0.5
216.07433	0.4
219.17482	0.3
238.15363	0.3
249.11243	0.2
251.08365	0.3
251.49509	0.3
259.09909	0.4
323.14642	7.4
385.80127	0.3
457.20349	0.5
477.34662	0.3
485.19965	100.0
486.20102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.6
56.96569	16.6
57.03432	1.9
57.07071	1.5
59.82866	0.7
67.05496	1.9
67.47384	0.8
69.07076	5.5
69.07391	1.0
70.09074	2.8
71.95276	3.1
72.96052	1.0
79.05467	1.1
81.07069	1.9
83.08611	2.8
84.08939	1.1
84.96032	1.3
91.05485	0.9
93.07043	2.1
95.08629	1.5
97.10196	1.4
97.96825	1.2
98.10494	0.9
98.97578	2.5
98.98420	1.3
102.92621	2.7
109.10217	1.0
110.97569	4.0
116.98676	1.2
118.92085	12.5
119.08656	0.9
121.10207	1.0
121.13687	0.8
128.98599	2.4
131.00153	0.9
136.93129	26.5
136.94156	1.9
146.99670	1.5
150.94626	17.9
150.95634	3.4
154.94177	24.8
155.03809	1.0
165.95638	0.9
168.95753	56.8
172.95264	13.7
177.95828	3.0
185.04692	0.9
186.96809	74.5
189.35745	0.9
190.96307	2.7
191.97368	4.4
191.98856	0.8
192.95789	1.4
194.97147	0.8
195.96870	1.6
203.05823	1.0
204.97876	20.5
208.98782	1.0
209.98401	7.4
210.96835	7.8
224.98384	9.6
226.99951	2.5
227.99367	1.0
228.97874	9.8
242.99457	9.8
245.00929	1.4
248.00038	1.5
266.01190	1.0
299.52820	0.8
311.25912	4.0
312.26126	3.4
313.26462	6.5
315.16336	2.5
317.17905	100.0
318.18304	2.5
333.17407	2.1
335.18948	25.1
335.25638	1.5
353.20148	1.1
358.20657	8.5
373.20389	4.7
397.14383	1.1
411.16058	7.3
425.17606	8.3
453.17175	28.1
467.18661	9.6
471.11371	1.1
471.18265	35.0
485.19852	43.0
486.20340	1.1
494.19830	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	483.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81942	4.8
53.03931	18.0
55.01865	12.1
55.05516	27.0
57.03438	30.4
61.02931	65.2
67.05508	98.0
69.03435	43.8
69.07055	17.4
70.29888	15.6
71.05019	5.9
73.02934	31.5
79.05502	65.1
81.03424	32.9
81.07063	100.0
83.04988	10.5
83.08624	11.9
85.02909	63.5
91.03970	36.3
91.05478	45.7
93.07047	58.2
94.29745	5.0
95.04955	8.8
95.08610	88.6
97.02897	43.6
97.06546	7.3
97.10182	5.5
99.04468	7.9
101.02390	15.5
103.03934	10.8
105.07048	35.9
107.04977	5.8
107.08616	46.7
109.02893	12.3
109.06523	6.1
109.10161	33.6
111.08031	6.3
115.03888	5.8
117.07011	9.8
119.08592	31.2
121.10127	34.8
123.08057	12.5
123.11726	11.8
127.03921	26.6
129.05475	6.0
129.07025	6.3
131.08589	26.2
133.10126	20.4
135.08112	4.7
135.11697	21.9
145.04959	16.2
145.10150	23.6
147.11745	24.3
149.13243	10.7
150.44089	5.3
151.07513	5.6
157.10100	9.1
159.11719	16.9
161.13223	8.1
163.11179	6.3
171.11694	4.9
173.13242	8.1
187.14803	8.0
201.07582	7.0
207.81348	4.7
216.16002	5.3
247.20541	24.7
321.24255	79.2
371.21994	7.8
465.29050	7.5
483.21820	6.4
483.29495	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.8
55.01868	7.3
55.05517	24.6
56.96559	7.1
57.03450	5.8
57.07077	8.1
61.02926	8.1
67.05509	32.6
68.99766	3.8
69.03432	47.4
69.07079	36.7
70.17552	15.2
71.04990	31.1
73.02907	5.5
79.05489	27.4
81.03419	32.8
81.07063	84.4
83.04978	9.3
83.08613	12.0
85.02914	51.3
85.06562	3.9
86.29377	3.5
87.00834	22.1
91.05488	24.0
93.07057	40.1
95.04970	13.9
95.08611	100.0
97.02915	28.7
97.06537	12.3
97.10162	15.5
98.97571	5.0
99.04455	14.2
99.08138	3.9
100.93134	4.3
103.03923	5.2
105.01869	13.7
105.07027	39.5
107.04946	7.2
107.08598	46.8
109.02902	26.0
109.06477	6.6
109.10162	88.1
111.04462	13.8
111.11726	7.1
112.60542	3.5
115.03939	9.3
117.06996	7.5
119.08585	56.9
121.06530	7.8
121.10156	39.3
123.04505	5.5
123.08115	6.9
123.11700	32.6
125.09623	15.1
127.03922	34.9
127.11193	59.8
129.01859	6.8
129.07043	4.3
131.08595	19.1
133.10136	67.2
135.08095	6.6
135.11717	25.1
137.06009	4.9
137.09618	5.0
137.13264	13.7
142.07727	4.8
143.08565	9.1
143.10730	4.6
145.04936	7.3
145.10101	13.0
147.02933	7.8
147.07953	5.3
147.11728	26.4
147.16338	3.7
149.09702	5.3
149.13261	25.8
151.14818	10.4
153.12752	6.8
155.08626	4.0
156.09340	5.7
157.10138	13.6
159.02982	7.6
159.11722	23.7
161.09592	7.4
161.13249	30.2
163.11224	4.3
163.14816	11.5
165.12830	4.2
169.10190	4.2
171.02972	4.3
171.11740	17.9
173.13295	19.2
175.14822	15.7
183.11716	8.1
185.13252	9.7
187.14894	6.5
189.03964	6.5
191.14326	11.0
199.11214	7.8
201.04059	5.0
203.17940	6.4
205.15910	4.8
205.19475	8.7
205.62248	4.1
207.21114	8.3
211.14871	6.7
213.16252	5.2
215.17953	10.9
217.19547	26.5
219.04997	8.3
221.13417	6.1
224.08095	4.0
229.19502	6.6
231.05072	6.2
233.18962	13.1
235.20534	17.5
239.14380	6.0
247.20486	7.5
251.19777	4.0
259.20633	10.7
289.21774	5.5
301.21631	5.4
325.21637	16.0
343.14426	4.1
343.22659	10.8
429.22650	5.0
447.23572	14.3
465.24493	14.7
483.25922	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
61.26485	0.2
66.18241	0.2
67.05494	0.5
69.03434	0.2
69.07067	0.4
69.42271	1.2
69.42702	0.7
79.41222	0.2
81.03404	0.3
81.07046	0.7
85.02915	0.4
91.05492	0.4
93.07036	0.4
95.08633	0.3
97.02886	0.2
97.06542	0.3
107.08613	0.3
109.10171	0.3
112.06713	0.2
121.10172	0.3
127.03933	0.3
131.08592	0.3
143.08710	0.2
147.04430	0.5
147.11722	0.3
157.10201	0.3
159.11716	0.3
161.09547	0.3
173.13266	0.2
185.04156	0.2
201.06062	0.3
213.61580	0.2
217.15935	0.8
235.16986	0.7
321.16937	1.2
362.95068	0.2
483.22058	100.0
484.22287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40251	0.8
50.73578	0.8
53.03931	1.3
55.01863	2.5
55.05499	2.6
56.96564	1.1
57.03441	5.4
57.07073	0.8
59.05017	1.2
61.02933	1.3
65.03935	1.4
67.05500	5.0
69.03430	3.5
69.07066	18.1
70.06570	0.8
70.94322	0.8
71.04987	2.9
77.03923	0.9
79.05061	1.3
79.05495	18.1
80.06287	0.8
81.03427	2.3
81.07057	7.3
83.04967	3.7
83.08614	1.4
84.43115	0.7
85.02893	3.6
85.06539	1.4
87.00854	1.3
87.08139	0.9
89.03931	2.3
91.05466	3.8
93.03384	0.7
93.07040	3.1
95.04980	2.8
95.08611	1.9
95.74683	0.8
97.02897	2.0
97.06534	49.1
98.97578	1.2
103.05477	1.0
105.07036	6.3
107.04949	2.8
107.08614	2.6
109.02887	1.2
109.06560	1.2
109.10164	2.7
111.08089	5.9
112.08837	2.0
115.05444	1.3
117.03399	2.3
117.07011	1.0
119.04935	1.5
119.08590	3.4
121.06505	0.7
121.10150	2.1
123.11650	0.9
125.09658	0.9
127.03923	2.7
127.11210	1.7
129.06999	1.2
129.09120	4.3
131.04918	1.9
131.08569	2.7
133.02858	6.8
133.10143	9.9
135.04445	5.8
135.11743	1.6
137.09639	1.4
141.07005	1.6
143.00145	1.1
145.02841	6.2
145.10098	1.3
147.04405	4.2
147.11691	1.8
151.03941	1.2
157.06567	1.6
157.10175	1.2
159.04436	5.3
159.11732	1.6
161.02350	8.1
161.05905	1.0
161.09680	1.3
162.03221	1.1
163.02542	1.8
163.03914	32.6
167.08566	1.5
171.08095	1.1
171.11659	0.8
173.02348	78.2
173.09563	0.8
174.10390	0.8
175.03868	1.0
175.11287	1.3
175.14838	2.8
177.05473	6.9
177.12689	1.0
179.03465	1.2
185.06047	3.8
185.09479	1.2
187.03925	2.5
187.07576	2.7
189.16345	1.4
191.03413	11.1
195.08054	2.8
197.05943	1.8
199.03951	2.3
199.07648	1.2
199.14780	1.1
213.09180	3.1
215.07031	77.2
216.07196	1.0
217.15891	6.2
223.07552	2.3
233.08046	4.2
235.16936	8.5
241.08604	44.0
253.13036	1.4
259.09677	70.8
271.14078	1.1
273.11215	100.0
274.11823	1.3
291.12277	9.3
361.32809	0.8
439.13547	2.5
483.12778	4.6
483.21902	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	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
54.43314	0.8
55.01867	2.0
55.05513	2.4
57.03421	2.8
59.05000	1.4
61.02905	2.0
67.05510	3.9
69.03413	2.6
69.07068	20.9
70.80881	1.0
70.81208	1.4
71.04971	1.2
79.05500	10.9
81.03402	0.9
81.07043	3.4
83.04978	1.6
85.02897	2.3
85.06528	1.2
87.00835	1.0
87.08109	1.3
89.03930	2.5
91.05479	2.2
93.07015	1.6
95.04980	1.0
95.08593	2.8
97.02894	1.3
97.06535	76.5
105.07041	5.4
107.04871	1.1
107.08600	2.2
109.02877	1.0
109.06502	0.9
109.10184	1.9
111.08051	2.3
112.08818	1.3
115.05461	0.8
117.03365	3.4
117.07024	0.9
119.08583	4.6
121.10133	1.9
123.04325	0.8
123.08071	1.0
127.03918	1.4
129.09111	3.2
133.02853	3.5
133.10143	4.8
135.04407	5.3
141.06908	0.8
142.07751	1.4
143.08563	1.0
145.02846	4.0
147.04427	1.7
147.11682	2.2
157.06415	1.6
159.04425	7.9
161.02353	22.9
161.09637	8.4
161.13251	1.4
163.03909	51.5
169.06511	1.1
173.02351	53.3
175.11171	1.8
179.03439	1.1
185.05984	3.5
186.03178	1.1
187.03929	1.6
187.07503	2.5
189.16409	3.8
191.03395	6.6
213.09296	0.8
215.07034	88.0
216.07356	1.0
217.15872	6.2
233.08052	3.4
235.16893	4.7
241.08586	15.3
259.09686	28.5
271.27148	0.9
273.11206	21.8
291.12280	100.0
447.20755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27944	1.2
53.03939	1.7
55.01877	1.4
55.05510	2.0
57.03434	3.9
59.04995	1.8
61.02927	1.6
67.05511	3.0
69.03415	1.4
69.07071	24.5
70.82182	1.6
70.82517	2.1
74.51485	1.0
79.05500	9.6
81.07070	2.6
85.02921	1.8
87.08104	1.3
89.03933	3.8
91.05505	1.5
93.07040	1.0
95.04982	1.1
97.06538	84.4
107.08631	1.9
109.10218	1.1
111.08116	1.7
117.03389	3.9
129.09158	2.8
133.02859	3.5
135.04430	4.3
135.11668	1.0
141.07077	0.9
143.08620	1.0
145.02875	5.5
147.04431	2.0
159.04396	9.8
161.02347	23.0
161.03583	2.0
163.03914	57.6
173.02348	57.5
185.06015	3.5
187.03922	1.2
191.03418	1.8
213.09248	1.6
215.07036	87.9
233.08049	1.1
241.08632	14.9
259.09659	27.8
267.67743	1.2
273.06436	1.2
273.11224	16.0
288.13364	1.2
291.12280	100.0
434.16501	1.0
483.21835	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	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.2
57.03434	1.4
57.73255	1.2
59.62997	1.0
60.40333	1.0
69.03416	1.8
70.30189	2.5
70.30540	2.5
73.02853	1.1
81.03446	1.2
82.99856	1.7
84.50088	1.1
85.02889	3.4
91.05488	1.5
97.02895	3.6
98.20850	1.3
98.97578	4.4
101.00873	16.7
113.00872	6.5
113.01572	1.1
116.98681	1.3
119.01923	17.5
119.04951	1.9
122.01369	3.0
125.00808	1.3
127.02425	4.8
127.03905	2.3
128.98637	1.2
131.01906	14.9
133.03490	3.0
138.05460	1.5
139.02454	1.3
143.01891	29.2
145.03467	10.5
145.05168	1.1
147.01334	1.4
147.04385	6.1
148.04759	2.0
149.02985	1.8
152.02397	1.3
152.05676	1.2
153.21579	1.1
155.00635	1.9
155.01884	28.8
157.03491	7.7
158.99660	1.6
159.01357	2.8
161.02960	23.3
163.04492	1.1
167.01895	15.8
169.03444	4.1
171.05078	3.3
173.02965	36.9
174.03044	1.4
177.02431	3.8
179.01866	4.1
181.03534	1.4
183.01457	1.5
185.02960	47.8
186.03166	1.5
187.04546	4.8
189.06137	1.3
191.03978	2.4
197.02986	17.2
201.02438	65.7
203.04022	13.2
209.02988	2.6
211.04539	1.8
213.02438	14.5
215.04037	9.1
217.05586	1.7
219.03513	85.6
221.05112	3.9
224.04419	2.7
225.02499	1.4
227.04019	10.9
231.03510	11.5
237.02551	2.5
237.04610	1.8
242.05185	2.3
243.03549	4.0
245.05078	100.0
246.05200	1.9
249.04599	7.2
255.03644	5.6
257.05118	4.6
261.04675	17.1
263.06119	9.6
263.35272	1.3
275.06094	13.7
279.05655	6.7
284.06573	1.5
285.04587	2.8
293.07281	4.9
303.05661	31.6
305.07172	8.2
318.30011	1.3
321.06665	54.1
335.08276	3.9
342.81952	1.3
344.08514	1.3
347.08203	1.2
365.09363	12.5
483.11932	38.8
495.56638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99033	0.9
57.03448	1.3
69.03436	4.6
69.34042	7.9
81.03426	1.8
82.99880	2.9
85.02914	6.7
97.02907	4.5
98.97590	1.8
101.00891	16.9
102.64724	0.9
109.02915	1.8
110.97546	1.1
113.00919	6.0
115.02427	2.2
119.01136	1.4
119.01933	18.0
121.01706	0.9
126.90178	0.9
127.02417	4.4
127.03905	3.7
129.04016	0.9
131.01921	14.6
133.03450	7.3
134.03676	1.1
135.03267	1.1
137.00848	1.1
139.02426	1.5
140.04153	1.1
143.01909	31.1
145.01674	2.0
145.03455	10.7
145.04773	1.7
147.01393	1.0
149.04643	3.1
153.03925	1.0
155.00626	1.8
155.01892	28.5
157.03468	8.7
158.99599	1.5
159.01431	1.3
161.02971	19.7
163.02846	1.3
163.04259	1.2
167.01888	10.6
169.03464	3.8
171.05035	2.9
173.02965	33.1
175.04440	4.5
177.02477	2.9
177.04245	0.9
179.01866	6.5
181.03506	1.9
182.99866	1.1
183.01428	4.2
183.05013	2.2
184.03185	1.0
184.04668	1.2
185.02971	50.8
186.03191	1.2
187.02905	1.0
187.04515	5.7
189.06056	1.1
191.04077	1.2
197.02995	16.7
199.04544	2.4
201.00867	2.4
201.02455	68.0
201.06186	3.0
203.04019	12.5
209.02873	2.8
211.04613	2.5
213.02454	13.8
215.04057	9.5
217.05666	1.3
219.03523	75.6
221.05042	2.3
221.06947	1.6
221.57057	0.9
224.03900	1.0
225.02475	2.6
227.04044	13.1
230.07353	3.1
230.57568	3.6
231.03531	7.8
233.05005	1.7
237.02507	2.0
237.04625	1.2
239.03952	1.7
242.05025	1.3
243.03624	2.0
245.05095	100.0
246.05307	2.1
247.04965	2.2
248.05486	1.4
249.04591	7.7
255.03522	3.7
257.05078	6.9
261.02203	1.5
261.04623	18.3
263.06149	11.6
265.57935	1.6
273.04489	1.9
274.08243	2.1
274.58298	2.4
275.06104	13.1
275.08893	1.4
277.07639	2.4
279.05786	5.8
285.04535	2.5
293.07159	3.9
295.08719	3.4
303.05667	28.6
305.07233	13.1
321.06714	40.9
321.10571	2.0
335.08240	5.1
339.07816	1.1
355.61322	1.2
363.07645	1.5
365.09351	11.9
483.11810	39.4
483.18423	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	482.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.2
71.06515	0.5
71.55827	1.1
71.95197	0.6
98.97578	10.5
114.95538	0.6
116.98621	5.0
118.54718	0.6
120.75498	0.5
132.96620	0.7
134.99655	2.0
139.07230	0.5
156.96643	0.8
163.36887	0.6
174.97662	5.3
177.00899	0.6
192.98671	3.3
196.94603	0.9
198.97630	0.8
214.95636	6.8
216.98680	4.4
232.96706	13.5
234.99802	5.2
238.95541	0.7
250.97752	7.9
256.96704	31.1
257.96765	0.7
258.99878	9.6
260.00113	0.6
260.99692	0.8
261.02786	0.6
274.97751	57.1
275.97971	1.2
276.98148	1.1
277.00854	7.2
278.01157	0.7
280.96463	3.5
282.99976	11.4
284.00153	0.6
284.99826	1.6
289.96472	0.7
292.98727	7.4
297.99255	1.1
298.97748	75.1
299.97922	1.9
300.97992	0.5
301.01056	10.8
302.01248	0.8
303.00851	1.3
314.95911	2.0
316.98810	100.0
317.99020	3.0
318.99222	0.8
319.02441	0.7
332.96674	1.3
334.99817	2.0
338.96460	0.6
340.00388	3.0
340.98883	2.5
356.96866	1.7
358.99976	5.9
374.97861	2.5
380.97025	1.2
398.97940	4.9
401.01199	1.4
416.98920	12.3
422.97711	6.9
423.02725	0.6
423.98120	0.9
425.01022	1.2
440.98923	87.2
441.99149	3.7
443.02069	1.9
458.99933	73.8
460.00052	2.8
461.00574	0.8
461.99142	0.7
482.01883	4.5
483.00333	8.1
500.62534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87276	4.6
53.03942	5.6
53.48410	4.9
55.05506	19.8
61.59071	6.2
67.05511	28.4
68.05766	5.4
69.07056	18.7
70.34406	4.3
70.84684	10.8
79.05497	24.1
81.06669	4.0
81.07067	34.9
83.08612	20.5
85.06554	7.1
91.05470	26.8
93.07037	29.6
95.04960	8.6
95.08629	23.6
97.06528	11.1
97.10194	5.8
105.07017	28.8
107.08596	11.5
109.10136	7.0
117.07031	15.8
119.08577	17.2
121.10117	11.4
125.09615	8.7
126.27898	5.3
129.07013	23.6
131.08588	40.3
133.06494	5.6
133.10141	14.4
141.07010	10.2
143.08566	23.3
145.10112	20.1
147.08072	6.2
155.08546	22.6
157.10197	8.1
159.11624	8.1
169.10117	15.7
171.11665	6.1
181.10147	12.6
182.78371	5.6
185.13176	5.8
195.11708	11.9
197.13177	8.9
199.14806	4.6
207.11684	6.3
208.81894	5.1
209.13283	9.3
221.13307	8.2
223.14906	4.9
225.12613	5.5
233.15250	5.5
241.15889	8.4
247.16904	10.6
259.17023	5.7
271.17032	10.0
310.24701	8.7
333.22137	27.6
341.24893	6.4
342.27112	5.6
351.23215	66.8
369.24106	38.1
383.25827	14.3
387.25192	17.1
401.26898	84.6
419.27969	100.0
482.26038	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	482.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.2
65.84378	4.3
67.05508	33.3
69.07072	17.5
71.20899	3.4
71.56858	6.0
79.05489	25.4
81.07063	40.4
83.04985	5.4
83.08627	25.4
85.06548	6.4
89.19675	3.0
91.05481	36.4
93.07047	27.4
95.08613	22.5
97.06538	6.0
97.10181	9.0
105.07037	32.3
107.04962	5.3
107.08553	17.0
109.06525	4.0
109.10128	8.6
111.08095	6.6
115.05463	3.7
117.07005	27.9
119.04918	3.9
119.08582	21.5
121.10141	14.4
125.09695	5.3
126.09892	3.4
128.06212	3.8
129.07018	32.0
131.08580	45.7
133.10112	14.2
135.08051	5.9
135.11703	3.5
137.09541	3.6
139.11189	5.9
141.06979	9.1
143.08556	26.2
145.06506	4.4
145.10110	16.0
147.08032	5.7
149.09634	7.5
155.08501	19.8
157.10114	13.3
159.08109	3.7
159.11646	6.8
167.08592	10.6
169.10121	9.9
171.11674	7.6
177.12801	4.9
179.08609	6.3
181.10117	12.5
183.11806	6.9
185.13272	8.0
193.10202	6.4
195.11647	10.7
197.13261	5.6
201.12761	5.1
207.11841	5.4
209.13292	10.1
211.14738	6.3
219.13799	3.7
221.13235	13.7
221.15318	4.6
223.13004	3.8
223.14845	10.4
224.40552	3.4
225.12885	4.7
233.15445	18.5
235.14948	4.8
239.14331	9.7
253.16014	5.0
257.15405	8.7
271.16864	6.5
285.18454	4.3
289.17883	4.8
315.20938	3.6
323.23660	9.6
333.22122	30.3
341.24734	8.3
351.23175	88.3
355.26376	4.4
365.24405	4.9
369.24252	40.7
383.25797	11.7
387.25061	29.0
401.26883	52.4
419.22455	6.9
419.27902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05031	1.2
57.07068	3.3
58.06590	1.0
60.08164	16.1
65.78585	0.5
67.05495	2.3
69.07055	1.7
69.98598	1.8
69.99014	1.2
71.07372	5.1
71.08620	2.5
81.07042	2.4
83.08602	1.4
85.10206	0.6
86.09708	47.9
91.05473	0.8
91.78150	0.6
95.08620	1.3
97.10181	0.9
97.89402	0.6
98.98484	2.9
104.10747	100.0
107.08616	0.6
109.10141	1.2
122.76155	0.6
123.11742	0.6
124.99093	1.4
125.00010	27.6
125.09633	0.7
155.95612	0.6
178.76796	0.5
184.07344	91.7
193.20317	0.5
213.30809	0.6
258.11087	0.8
273.97690	0.6
299.25778	2.4
308.28928	0.7
311.25967	1.6
346.91574	0.7
383.22104	0.7
454.56931	0.6
464.31360	8.4
482.32468	38.2
504.41354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01879	9.6
55.05514	87.3
57.03442	5.5
57.44816	4.7
58.33253	6.5
67.05512	57.0
69.03426	15.3
69.07056	23.9
71.57335	6.7
79.05492	57.7
81.03412	14.3
81.07044	49.0
83.04991	11.0
83.08620	48.0
85.06522	5.2
85.87750	5.3
86.09724	14.0
91.05482	43.8
93.07038	37.5
95.04984	16.4
95.08601	14.8
97.10178	97.9
105.07050	25.6
107.04953	8.6
107.08621	43.0
109.10155	10.9
111.08065	9.6
115.05392	5.2
117.07029	33.3
119.04914	6.1
119.08609	29.3
121.10142	8.3
123.08088	9.1
125.00050	7.8
125.09636	100.0
128.06305	8.0
129.07018	34.4
131.04836	5.9
131.08589	21.1
133.06480	7.9
133.10156	5.2
135.08093	19.7
135.11725	6.6
137.09718	5.7
141.06987	11.4
143.08563	16.9
145.06509	13.9
147.08101	7.3
149.09618	32.9
151.29424	5.4
153.09100	39.7
155.08571	12.8
157.06493	9.3
157.10178	12.3
167.08585	8.6
169.10132	17.1
171.08026	11.5
171.11665	12.7
183.11703	6.9
184.07365	48.6
185.13321	12.2
193.12245	11.3
194.12608	8.3
195.11737	13.1
203.12775	88.4
211.11168	7.1
213.12694	38.5
229.12099	6.2
231.13882	27.9
236.99228	5.3
239.10631	6.4
245.15370	36.7
257.11734	9.0
263.16452	9.6
292.19424	4.7
303.15793	6.6
319.20511	7.4
337.21606	12.2
343.75943	4.7
347.19971	20.1
365.21152	46.3
379.22589	9.4
383.22183	57.4
397.23685	37.9
415.24835	61.4
429.26306	51.7
447.27380	21.7
482.33524	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05519	2.8
57.03442	3.4
61.02923	1.8
67.05505	8.9
69.03426	0.9
69.07076	5.2
70.82278	0.9
71.04985	1.5
73.02895	0.5
79.05493	4.3
81.07059	30.0
83.04990	2.2
83.08623	3.1
85.02898	2.7
85.06542	2.1
91.03940	0.7
91.05486	8.7
93.07050	4.0
95.08604	6.1
97.02892	1.2
97.05976	0.5
97.06544	3.4
99.08097	1.6
100.91762	0.4
105.07037	11.5
105.30223	0.4
107.08603	5.3
109.06538	2.4
109.10172	0.6
111.08098	0.6
113.06025	0.6
115.05228	0.4
119.08588	11.2
121.10151	9.5
123.08086	2.0
123.11712	14.0
127.07555	1.7
131.08595	0.5
133.10141	1.0
137.13284	1.1
141.09045	0.5
145.04938	0.5
145.10130	0.8
147.11693	36.0
149.69090	0.4
157.10112	1.3
165.12753	17.1
165.36255	0.5
165.37776	0.4
175.11215	1.5
183.13860	2.6
193.12221	1.8
211.13329	0.7
217.30243	0.4
229.14368	5.9
267.15927	43.6
268.16342	0.7
285.16974	100.0
286.17349	1.3
303.17865	0.4
331.11838	0.5
355.24243	0.5
368.02744	0.5
447.22287	1.0
467.86014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56483	1.6
51.00293	1.9
53.03953	3.4
53.22681	1.9
55.01866	4.2
55.05507	6.2
57.03440	4.5
57.07078	12.1
59.05001	2.4
61.02939	3.2
62.38647	1.9
66.54366	1.8
67.05511	3.4
69.03423	18.4
69.07072	40.3
71.04993	6.3
71.08618	6.0
71.82948	1.9
73.02898	3.1
73.06558	7.9
81.03411	13.8
83.08588	2.2
85.02429	3.1
85.02906	44.9
87.00835	21.7
89.06033	24.7
91.05521	2.0
97.02895	30.2
98.20638	3.1
99.04459	6.3
105.01865	31.5
109.02887	13.2
111.11724	78.2
117.01859	3.1
127.03918	39.4
129.01837	2.1
129.12759	100.0
141.73912	2.0
145.04971	16.6
154.13348	2.1
159.02916	6.1
191.95674	2.2
199.15283	2.6
199.16943	18.5
213.04018	2.6
217.18027	19.8
229.46077	2.4
231.05029	15.2
241.45868	2.1
249.06108	2.8
277.52881	1.7
338.21091	2.2
359.17355	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01863	3.2
55.05510	8.4
57.03431	2.7
57.06824	1.6
57.07076	10.1
59.04995	3.2
61.02354	1.2
61.02912	3.8
62.47956	1.3
67.05504	1.5
69.03432	15.3
69.07072	49.1
69.32939	11.8
71.05000	7.2
71.08635	8.0
73.02905	3.1
73.06558	10.1
75.18652	1.3
81.03413	10.1
83.08607	2.0
85.02911	45.4
85.10172	2.9
87.00836	20.4
89.06040	25.4
91.05442	1.4
97.02901	25.7
98.21514	2.8
99.04482	6.9
105.01880	26.4
109.02879	15.7
111.11724	71.4
117.01835	3.1
123.11732	1.6
127.03922	35.3
129.01836	1.6
129.12767	100.0
133.10153	3.0
145.04962	16.6
151.11119	1.5
159.02878	8.3
179.18484	1.5
199.16951	19.7
201.14748	1.6
201.69823	1.4
213.03915	2.9
215.16408	4.9
217.17999	18.9
231.04935	9.2
237.94836	1.3
249.06046	3.2
346.80164	1.3
359.17032	3.3
404.88757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.4
53.56693	1.5
55.01859	6.8
55.05510	3.8
57.03434	7.6
57.09880	1.4
60.04506	3.2
61.02895	1.9
67.05171	2.3
67.05507	25.8
68.59618	1.5
69.03427	2.6
69.07059	4.5
70.06572	6.4
71.04978	4.5
71.57214	1.9
72.08161	1.6
79.05070	2.1
79.05498	29.7
81.03401	9.8
81.07059	19.8
83.04986	12.6
83.08585	2.3
84.04497	1.8
84.08137	7.7
85.02905	6.5
85.06527	4.5
86.09686	7.2
91.05482	15.6
93.07046	20.4
94.84982	1.6
95.01356	2.7
95.04964	9.7
95.08607	7.9
97.02878	2.3
97.06559	9.8
98.97598	3.7
99.04483	2.5
105.07024	7.0
107.04957	24.2
107.08591	10.3
109.02892	2.2
109.06499	3.5
109.10139	4.7
111.04448	9.8
111.08063	3.6
116.08372	1.5
117.07051	9.2
119.08595	10.6
120.08105	16.2
121.06474	3.3
121.10143	24.0
122.06014	3.1
123.04382	2.1
123.08044	2.3
125.05991	1.8
126.09124	2.1
127.03927	2.7
129.06953	3.7
131.04932	3.1
131.08543	9.3
133.10178	2.4
135.08026	5.2
135.11697	20.0
136.07510	3.1
137.05940	2.1
138.02277	1.5
138.09137	2.1
139.03847	1.5
145.06445	5.5
145.10118	26.4
147.04436	3.8
147.08051	2.3
149.09622	5.6
153.05415	2.6
153.12706	3.5
155.08530	6.8
163.11185	33.9
167.10667	2.0
173.09641	20.3
173.11128	2.5
173.12860	5.0
174.07899	2.3
181.12190	8.9
191.10652	14.4
193.12236	2.0
201.12476	2.2
209.11789	7.2
227.12724	7.7
265.14322	27.5
281.11356	4.5
283.15408	100.0
301.16467	70.0
327.26593	2.2
331.07144	1.7
367.11392	1.7
375.22772	4.3
393.23553	6.1
419.25565	1.9
427.28033	1.8
463.16098	2.3
463.24362	2.5
481.25049	35.5
481.32333	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	481.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05509	3.4
57.03432	9.8
60.04530	4.4
61.02935	2.1
65.03922	2.1
67.05511	25.3
69.03421	5.3
69.07072	4.2
70.06618	4.5
71.04987	3.4
71.57166	3.2
72.08156	2.1
73.02915	4.8
79.05490	20.7
81.03403	7.8
81.07052	15.9
83.04974	7.3
83.08614	2.4
85.02898	8.3
85.06533	3.3
86.09705	20.0
91.05484	12.9
93.07037	15.7
94.06552	2.6
95.04987	11.0
95.08595	8.7
97.02892	3.8
97.06554	7.2
99.04433	2.3
102.67168	1.9
105.07023	6.2
107.04961	19.3
107.08572	9.7
107.38642	2.3
109.10137	2.5
111.04453	10.1
111.08086	4.4
116.07030	2.6
117.07018	6.2
119.08574	6.5
120.08127	12.0
121.10139	22.9
123.04394	2.8
125.05960	3.7
129.06990	3.6
131.08583	6.5
132.06516	2.7
135.11705	18.4
137.05887	1.8
145.06497	3.3
145.10117	20.8
147.04364	2.8
149.09633	3.6
153.12741	5.4
155.08568	6.8
163.11185	24.8
173.09618	15.3
181.12231	8.8
191.10718	16.9
207.11308	8.2
209.11725	11.5
220.22569	2.4
227.12744	9.3
235.10818	7.3
240.57578	2.2
247.12894	6.6
265.14316	15.7
283.15384	58.0
287.05490	2.6
298.93433	2.1
301.16461	100.0
331.26733	7.1
349.27774	8.4
463.21738	6.7
481.25357	4.7
481.31995	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2046
Annotation	Briarlide H
Peak:m/z	Relative Intensity
53.03930	0.9
55.05505	1.4
57.16024	0.8
67.05506	1.0
69.07072	1.3
70.06606	1.1
71.08052	1.9
81.07054	1.5
83.04965	0.8
83.08626	0.8
84.08168	1.4
84.64487	0.7
85.02885	1.6
86.33209	0.9
91.05460	1.9
93.07072	2.0
93.48817	0.8
95.08596	2.3
97.06549	0.8
105.07062	1.7
107.08607	2.1
109.10135	0.8
119.08586	5.9
133.10144	7.7
135.11703	0.8
137.05962	2.4
143.01929	1.0
147.04420	1.9
147.11673	1.0
152.95071	0.8
168.52570	0.8
175.14870	5.5
175.18028	0.8
227.05409	1.0
245.06335	3.8
271.04178	2.0
284.15842	1.3
289.05304	62.2
397.97717	0.9
419.20203	1.9
437.21552	8.3
463.19461	16.8
470.82022	0.8
481.20477	100.0
482.20667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00566	19.4
62.37695	18.9
66.48205	20.8
67.05464	29.0
69.71345	20.2
69.85774	19.0
78.23945	22.0
81.07070	23.1
87.04467	43.9
91.05470	27.5
129.03340	19.2
139.79861	21.2
353.24634	29.2
371.25833	31.7
403.28510	100.0
494.00259	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01856	1.2
55.05507	3.0
56.96551	0.5
57.03429	1.7
61.02930	2.6
67.05498	4.7
69.03435	0.7
69.07055	1.7
70.06559	0.4
70.12392	0.7
70.12780	0.8
71.04983	0.7
73.02901	0.7
74.23096	0.4
79.05500	7.5
79.88064	0.4
81.03418	0.8
81.07061	6.4
83.04967	1.1
83.08620	3.0
85.02912	1.9
85.06527	0.4
86.09684	0.5
91.03954	1.1
91.05476	2.7
93.07048	11.9
94.09896	0.4
95.04967	2.0
95.08607	14.3
97.02895	3.0
97.06540	2.1
98.97588	0.7
99.04447	1.8
105.07048	2.2
107.04962	3.3
107.08604	10.2
107.51904	0.3
109.06549	0.7
109.10177	1.3
111.04434	0.6
111.08091	0.4
117.07015	3.4
119.04924	0.4
119.08599	3.7
121.06521	1.9
121.10143	5.7
125.05978	1.5
133.10127	0.8
135.08081	0.5
135.11699	21.8
139.07512	1.2
145.10129	13.7
145.11273	0.7
147.04440	1.0
153.12711	0.5
163.03874	0.5
163.11186	35.2
181.12228	6.3
181.79549	0.4
184.07310	0.6
209.11777	1.3
214.64389	0.4
219.96146	0.4
227.12788	47.9
283.15408	100.0
284.15778	0.7
300.35617	0.4
301.16440	3.7
321.00482	0.4
436.20160	1.2
445.21133	0.5
480.19339	5.1
480.25714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13623	0.3
50.57687	0.3
51.88047	0.4
53.03938	0.5
55.01862	1.2
55.05513	3.2
57.03432	2.0
61.02907	1.5
67.05502	4.2
69.03415	1.3
69.07058	2.0
70.06599	0.6
71.04997	0.7
71.08268	0.7
71.08601	0.4
71.32747	0.4
73.02908	1.1
79.05064	0.5
79.05489	7.2
81.03427	1.7
81.07061	6.3
83.04965	1.2
83.08627	3.0
85.02907	2.1
85.06520	0.4
85.66026	0.4
91.03977	1.0
91.05476	2.1
93.07041	11.5
95.04977	2.1
95.08607	13.8
97.02372	0.4
97.02907	2.5
97.06557	1.8
97.10143	0.4
99.04469	1.9
105.07040	2.6
105.30614	0.3
107.04958	3.8
107.08599	9.6
109.02772	0.4
109.06493	0.8
109.10153	1.0
111.04451	0.8
111.08090	0.6
113.06002	0.4
117.07006	2.5
119.04903	0.5
119.08569	3.9
120.97582	0.4
121.06518	2.4
121.09428	0.5
121.10145	4.9
125.06016	1.9
127.03894	0.5
130.07813	0.5
130.28526	0.4
131.08609	0.8
133.10115	1.3
135.08052	0.9
135.11691	21.8
139.07545	1.0
143.08548	0.6
145.02867	0.6
145.10123	12.9
147.04404	1.6
153.01831	1.4
153.95500	0.4
154.02185	0.6
163.11180	34.8
177.05455	0.5
181.12228	6.6
193.12248	0.7
194.12555	0.4
209.11748	1.7
227.12775	45.5
228.13013	0.5
245.49438	0.4
283.15393	100.0
284.15720	0.7
301.16388	0.6
303.08566	0.6
304.08963	1.9
318.26019	0.6
445.20587	1.6
450.50772	0.4
480.30820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3006
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
53.03944	16.2
53.33965	3.5
55.01859	12.5
55.05513	34.5
57.03441	48.0
57.07058	4.5
59.04979	3.6
61.02924	5.7
65.03932	8.1
67.05507	96.8
69.03433	63.9
69.07072	32.2
69.55654	21.7
71.01357	7.7
71.04991	13.9
73.02911	15.8
74.03286	2.8
75.04443	3.8
79.05493	67.4
81.02977	5.2
81.03424	60.2
81.07060	92.4
83.04974	21.5
83.08624	9.9
85.02905	31.6
85.06544	5.3
87.04442	11.2
91.05487	68.5
93.07053	79.4
95.04985	16.4
95.08620	67.8
96.12276	3.7
97.02908	33.3
97.06513	7.8
97.10175	9.5
98.21481	6.2
99.04480	18.3
101.02361	3.8
101.75305	3.4
103.03942	13.3
103.05437	3.5
105.07033	61.7
107.04942	10.1
107.08606	44.5
109.02878	31.2
109.06521	10.9
109.10166	21.5
111.04437	11.5
111.08089	5.5
115.03976	3.6
115.05425	4.7
117.05460	3.3
117.07010	38.0
119.04992	3.8
119.08593	33.7
121.06499	8.0
121.10147	32.2
123.04454	3.8
123.08087	6.0
123.11703	7.9
125.09657	4.3
127.03925	37.0
128.06264	4.0
129.05463	11.3
129.07002	13.4
131.08574	45.6
133.06479	11.8
133.10136	38.1
135.04379	4.9
135.08136	4.4
135.11697	20.1
137.05951	6.9
137.09622	4.0
139.03828	3.2
139.11162	5.0
141.05595	3.5
141.06985	10.1
142.07813	4.1
143.08539	26.9
145.04982	11.4
145.06413	9.2
145.10112	33.0
147.08049	7.0
147.11661	24.5
149.09566	6.1
149.13257	12.9
153.09171	4.1
154.07718	3.3
155.08539	8.2
157.06445	4.0
157.10126	19.1
159.08032	6.6
159.11678	24.2
161.09668	6.9
161.13263	13.8
163.11168	7.4
163.14899	5.5
167.08534	5.7
169.10115	8.3
171.08057	7.0
171.11618	16.0
173.09637	3.7
173.13271	18.0
175.11148	7.9
175.14810	7.2
181.10190	5.8
183.06503	9.9
183.08034	6.5
183.11681	10.2
185.09637	3.9
185.13248	12.3
187.11153	6.6
187.14801	10.6
189.12619	6.3
195.11668	5.9
197.13248	8.3
199.11246	3.6
199.14764	8.3
201.07616	7.2
201.12715	6.8
211.14856	4.9
213.16406	3.4
215.14371	4.4
215.17940	3.8
223.14955	3.9
241.15982	4.1
259.20535	11.4
261.22250	17.5
270.42245	3.8
273.22238	5.6
285.21906	4.1
301.21640	3.4
303.23441	5.4
315.23215	6.4
327.23245	6.7
335.25912	4.4
341.24866	9.0
345.24323	9.0
351.23224	13.4
356.69913	3.5
357.24139	4.1
361.23837	4.0
369.24261	24.4
387.25299	18.2
389.26874	3.5
401.26700	5.0
405.26392	6.5
419.28110	10.6
425.26431	4.0
431.27945	5.0
443.27954	35.9
449.28973	10.0
461.29016	69.2
479.30045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
58.99850	1.3
67.05483	1.0
69.07058	0.7
71.20812	1.1
71.70743	0.4
77.00909	3.2
79.05487	0.7
81.03400	0.6
81.07064	0.8
81.27582	0.4
83.08622	0.6
85.01360	0.7
88.34637	0.4
89.66190	0.4
89.89348	0.4
91.05457	1.3
93.07030	0.8
95.01922	1.3
95.04936	0.5
95.08604	0.6
97.10136	0.6
103.02428	0.6
109.10133	0.6
115.02509	0.5
117.04008	0.5
119.08518	0.6
123.02899	0.5
139.06038	0.5
141.03996	2.2
143.05518	1.9
146.15337	0.4
151.06183	0.5
153.03934	1.1
155.05531	4.9
159.05092	2.4
161.06622	1.6
161.08113	0.4
164.17995	0.4
167.05487	0.7
169.07089	6.3
169.10764	2.1
171.05054	1.2
173.06616	5.1
179.09131	1.0
181.07115	1.2
183.05029	1.9
183.08556	0.5
185.06566	1.3
187.04520	1.3
187.08176	5.6
189.05952	0.6
189.11252	0.6
193.07162	0.6
195.08659	6.4
197.10239	7.5
201.06067	3.8
201.07668	2.2
203.09116	2.2
205.05565	2.1
205.09116	0.8
207.12274	2.7
209.10039	0.7
211.08189	0.8
213.09718	8.4
215.09145	1.3
215.11281	5.4
219.06984	2.4
219.08850	1.1
221.10204	8.3
223.11749	1.6
225.13353	10.2
227.11356	0.7
231.08652	0.7
233.10204	5.6
236.11398	0.5
239.11295	8.7
243.14441	12.0
245.12360	0.7
248.15019	1.0
251.11298	58.2
252.11620	0.8
257.12430	2.6
261.15509	0.7
269.12354	74.4
270.12680	0.9
274.12915	4.9
287.13412	34.9
292.13928	4.6
310.14920	1.3
311.13647	0.5
408.56415	0.4
435.25790	2.3
461.23730	9.5
461.29425	1.1
468.08740	0.5
479.24908	100.0
480.25229	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	5.4
55.05513	17.2
56.96556	2.9
57.03434	6.2
61.02935	1.5
65.47237	1.0
66.73510	1.0
67.05174	1.5
67.05507	19.0
69.03438	4.8
69.07073	17.3
71.04999	2.2
71.08637	21.2
71.56934	1.7
73.02921	1.5
79.05495	16.0
81.03413	6.5
81.07057	19.4
83.04978	3.1
83.08627	6.5
85.02901	3.2
91.05482	12.4
93.07045	12.9
95.04980	5.1
95.08620	8.3
95.64631	1.1
97.02899	3.0
97.06522	2.2
97.10195	8.3
98.97571	2.3
99.08105	13.2
105.07050	7.8
107.04974	3.8
107.08607	9.4
109.06522	3.6
109.10149	7.0
111.04443	2.0
111.08082	2.7
112.99213	2.0
113.00017	36.3
117.07030	1.9
119.08597	4.6
121.06488	3.9
121.10152	5.1
123.08052	3.0
123.92440	1.2
125.09659	5.8
131.08572	5.1
133.06470	1.2
133.10138	6.9
135.08051	2.6
135.11659	3.1
141.07062	1.2
145.10062	1.7
147.11708	2.0
149.01224	1.3
149.09593	1.7
149.13260	3.4
151.11212	3.8
153.81900	1.2
159.11700	2.5
165.12813	1.2
167.10722	2.5
169.02600	2.7
171.11673	1.3
173.13425	1.0
177.12816	3.3
179.10645	1.8
183.10202	1.5
187.03703	3.3
189.11229	3.2
195.13745	1.4
227.12892	1.5
229.07686	1.2
229.19528	1.5
247.20813	1.6
248.11078	1.5
253.14461	2.5
267.16028	3.3
275.20157	9.4
285.13586	2.8
285.63660	3.2
293.21121	100.0
324.11395	1.9
332.11188	2.2
349.23730	4.8
367.24799	67.7
443.21744	3.8
443.27631	2.2
461.22922	4.1
461.28748	1.7
479.29779	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2127
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
52.59478	1.2
53.03945	4.3
54.46883	1.2
55.01868	4.0
55.05513	10.6
56.96559	2.5
57.03430	2.9
57.07072	1.5
60.63855	1.5
61.02929	3.3
61.91515	1.2
62.14447	1.3
64.98275	1.2
65.03953	1.5
67.05505	12.8
69.03432	11.0
69.07064	6.0
70.06593	2.3
71.04993	2.8
71.57079	2.1
73.02921	2.3
78.15064	1.3
79.05502	9.5
81.03431	11.3
81.07058	12.6
83.04955	3.7
83.08610	3.1
84.08151	1.7
85.02911	32.0
85.06545	12.8
87.00823	14.1
89.06055	2.6
89.55325	1.4
91.03936	1.6
91.05495	9.1
93.07056	5.8
95.04959	2.1
95.08611	50.0
97.02892	13.0
97.06533	8.7
97.10175	9.8
98.97576	2.6
99.04454	5.5
105.01865	15.7
105.07033	6.1
107.08603	28.7
108.00048	1.4
109.02876	9.8
109.06499	1.8
109.10164	3.9
111.04435	1.4
111.08071	1.8
113.09646	21.3
117.07005	1.7
119.04953	1.8
119.08604	2.8
121.10122	2.3
123.04440	1.6
123.08069	2.2
125.09633	42.6
127.03929	17.3
128.04236	1.6
129.01840	2.0
131.08594	2.0
135.08069	2.0
135.11716	2.6
137.06006	3.1
138.31075	1.6
139.07524	2.0
143.10681	12.3
145.04942	6.9
147.04420	6.4
159.02968	2.1
163.03934	3.6
167.06999	1.3
196.14047	1.4
213.04045	2.2
213.12756	1.5
213.14798	2.1
213.18394	1.6
215.07045	2.0
231.05023	5.5
231.13724	4.6
231.15900	2.5
240.80327	1.4
248.81476	1.4
249.05960	1.9
252.78345	1.3
259.09680	4.8
259.12955	1.7
269.12466	4.0
281.14035	1.4
289.05258	2.5
333.27615	1.5
393.18820	9.5
395.11267	1.6
435.19968	25.7
479.18915	100.0
480.19235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24043	10.2
71.06968	2.2
94.93015	15.1
136.94020	66.9
148.94002	19.4
166.95099	35.8
178.85477	2.3
196.96132	8.3
198.06047	2.7
248.89653	9.1
256.98294	18.4
283.28738	2.7
300.63794	2.4
381.07938	100.0
419.03531	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01845	0.8
55.05478	1.7
55.59395	0.4
56.04997	1.7
57.03444	3.2
58.06565	1.5
60.04528	5.4
61.02919	3.0
67.05507	2.8
68.05031	3.1
69.03432	9.5
69.07041	1.9
69.97452	1.3
69.97864	0.7
70.06592	7.5
71.04997	15.3
71.05370	0.5
71.88369	0.4
72.04491	0.6
73.02887	1.3
74.06060	0.4
77.03900	0.4
80.05012	1.9
81.03422	4.0
81.07063	5.0
81.29581	0.4
82.06541	1.7
83.04962	0.9
84.04479	0.9
84.08082	1.2
84.68017	0.4
85.02908	14.3
85.06488	0.8
86.06049	0.9
86.09688	0.8
87.04424	1.4
90.05497	1.0
91.03944	0.8
91.05470	2.0
93.05771	0.5
93.07045	3.7
94.06570	10.0
95.04954	0.7
95.08594	2.7
96.08115	0.5
97.02892	6.1
97.06493	1.2
97.10149	0.4
98.06091	2.2
98.23213	0.4
98.97561	0.9
99.04444	0.9
99.08060	1.6
105.07040	2.0
106.06615	0.5
107.04935	0.4
107.08559	1.6
108.08099	0.8
109.02851	1.8
109.06485	0.5
109.10157	2.2
111.08049	0.8
112.11072	0.4
116.07044	0.5
116.10648	0.5
119.04897	0.8
119.08532	1.3
120.08102	0.8
121.10165	3.5
123.11641	1.2
127.03931	2.3
131.08574	0.4
131.59398	0.4
133.10072	1.1
134.09688	0.5
135.11659	0.7
136.11119	0.5
137.05960	0.6
138.12752	0.6
143.10721	0.4
145.04980	0.8
147.04395	1.4
147.11630	1.4
149.13243	0.7
158.99626	0.4
167.14345	1.0
171.12003	0.4
189.16302	0.7
200.12773	0.8
206.19080	0.5
212.20097	2.1
214.18028	0.6
224.20103	27.4
226.21619	0.7
230.11792	0.9
238.21660	0.5
242.21158	23.1
250.21683	5.9
252.23238	1.8
258.05179	2.2
259.05591	4.4
262.21674	7.4
280.22720	9.2
286.04742	4.8
287.05072	12.5
288.05460	0.5
298.20551	0.7
298.23749	6.1
301.07074	14.1
302.07413	36.8
303.07642	0.8
316.24832	100.0
317.25076	1.5
321.12234	0.5
442.28433	0.5
460.29028	1.1
476.21475	0.4
478.11218	2.7
478.30161	79.4
479.30557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49983	0.6
53.55910	0.6
55.01855	0.7
55.05462	2.2
56.04984	1.9
57.03387	9.5
60.04477	9.6
61.02873	2.1
62.06050	0.7
66.49290	0.6
67.05511	4.5
68.04996	1.4
68.76327	0.6
69.03423	3.3
69.07018	1.8
69.35430	4.3
70.06538	2.6
71.01318	1.2
71.04941	1.8
72.04478	1.1
72.08102	1.0
73.02923	18.1
79.05440	2.5
79.73923	0.8
80.05021	7.5
81.03374	1.4
81.07076	4.6
82.06521	2.9
83.04913	2.2
83.08590	0.8
84.04480	0.9
84.08103	1.7
85.02921	4.6
85.06505	1.0
85.86299	0.6
86.09661	1.2
87.04420	0.6
89.89962	0.7
90.05506	1.0
91.05428	2.3
93.07009	2.4
94.06573	8.9
95.04929	0.8
95.08627	3.5
96.04443	1.0
96.08090	1.0
97.02834	2.9
97.06480	1.3
98.06033	1.1
100.63690	0.6
105.06996	1.2
106.06426	0.7
107.08544	1.9
108.08102	1.2
109.10113	1.3
110.09622	0.9
111.08035	1.7
115.03876	1.5
116.07057	1.1
117.06895	0.7
119.08508	1.3
120.08045	2.6
121.10088	2.1
122.09659	1.2
131.08603	0.8
133.10069	1.0
134.09650	0.7
135.11612	0.8
138.12735	0.6
147.04407	0.8
147.11670	0.9
172.06026	0.8
179.14296	1.3
208.16888	1.3
224.20149	2.7
236.20067	6.2
244.20532	1.4
246.18539	0.7
248.20142	0.8
254.21149	9.5
262.21658	2.6
272.22232	1.0
274.21600	6.1
292.22620	9.4
300.21802	0.8
310.23810	3.8
319.13248	0.7
328.20865	1.1
328.24841	35.0
346.25906	90.2
347.26440	1.3
367.74435	0.6
460.29193	0.8
478.30197	100.0
479.30487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01863	1.3
55.05514	3.3
56.05036	1.0
57.03450	2.8
60.04524	7.7
61.02923	2.1
65.14499	0.5
67.05511	4.1
68.05024	2.1
69.03436	8.0
69.07075	1.9
70.06590	4.3
71.04998	2.5
71.57183	0.7
72.04507	1.1
72.08152	1.3
73.02921	3.2
79.05495	3.1
80.05019	15.0
80.05489	0.8
81.03416	2.9
81.07056	4.3
82.06577	1.7
83.04983	1.4
83.08613	1.3
84.04500	1.1
84.08150	2.0
85.02911	13.4
85.06538	1.4
86.06074	1.6
86.09708	4.3
87.04494	1.8
91.03976	1.0
91.05483	3.7
93.07047	3.3
94.06567	3.0
95.04955	0.8
95.08584	3.8
96.08147	1.4
97.02895	5.8
97.06532	2.2
98.06062	0.7
98.97601	1.1
99.04494	1.3
105.07027	1.7
106.06588	1.3
107.04954	2.8
107.08598	2.1
108.08133	0.6
109.02879	1.6
109.10180	1.6
111.08062	1.6
116.07106	0.9
119.04954	0.9
119.08603	1.1
120.08099	2.8
121.10163	1.5
127.03924	3.3
129.10268	0.6
129.32336	0.6
131.00188	0.6
131.08524	0.7
133.06030	0.7
133.10156	1.2
134.09651	0.6
135.08102	1.3
135.11707	0.7
136.03970	1.1
136.07610	1.9
136.11201	0.7
145.04961	1.3
147.04443	2.0
147.11757	0.8
156.25726	0.5
163.07555	1.7
167.07103	1.6
172.06137	1.0
195.10124	8.1
206.15411	1.0
213.11252	1.2
224.20119	1.5
229.13991	0.6
230.14511	1.0
234.18460	0.6
236.20154	0.8
239.20041	1.6
244.09557	1.3
244.20735	2.5
251.20103	1.6
254.21132	1.1
262.21686	6.5
280.22733	5.4
292.22638	0.6
298.23770	31.0
299.24182	0.7
316.24826	65.7
317.25043	1.3
323.81436	0.5
327.26410	1.1
328.24640	3.2
344.24417	1.1
346.25912	4.4
358.25998	0.7
362.25305	1.0
392.19815	1.7
404.08182	0.7
418.15726	0.7
434.20978	6.5
442.28223	0.8
446.28397	0.7
446.96689	0.6
460.29004	1.9
478.20560	8.6
478.30182	100.0
479.30753	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61787	0.3
53.03949	0.3
55.01866	0.5
55.05511	4.3
57.03429	0.4
57.07084	0.4
62.06081	0.8
63.76908	0.3
67.05183	0.3
67.05507	5.2
69.03416	0.5
69.07072	4.9
69.49685	2.1
79.05479	1.3
81.07056	4.9
83.08631	1.7
85.05294	1.5
86.06047	0.7
91.05458	0.7
93.07054	1.5
95.08600	3.2
96.08122	0.4
97.10197	0.6
98.06061	9.1
98.98481	0.4
105.07038	0.4
107.08607	0.7
109.10162	1.3
112.07613	1.0
121.10101	0.5
121.54523	0.3
121.56176	0.3
126.09190	0.3
137.29053	0.3
138.09161	0.3
140.10742	0.4
147.11693	0.4
152.24008	0.3
154.12337	0.5
182.15300	0.4
208.16957	0.7
218.50655	0.3
222.18536	0.3
236.20038	0.3
267.18701	0.3
286.63324	0.3
306.27917	100.0
307.28397	1.4
324.28986	0.9
337.27316	2.0
337.34070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03945	0.6
55.05515	10.7
57.03193	0.5
57.03443	6.3
57.07078	1.9
62.06065	0.7
65.03928	0.9
67.05508	22.7
69.07071	14.3
70.45596	0.7
70.45925	0.5
71.04997	0.7
71.08637	0.7
74.80949	0.4
79.05495	5.6
81.07060	21.0
83.04985	0.9
83.08619	6.0
85.05257	0.5
85.06522	0.5
91.05486	3.9
93.07043	5.7
95.08611	15.3
97.06519	1.2
97.10181	2.8
98.06062	2.2
98.98469	0.6
99.08088	0.7
105.07030	2.8
107.08598	2.9
109.10164	6.0
111.08083	0.8
111.11715	0.6
119.08582	2.5
121.10133	2.3
123.11704	2.7
125.09637	0.6
133.10158	1.9
135.11679	1.2
137.13235	0.6
147.11700	1.5
161.13251	0.9
175.14874	0.5
216.06381	0.6
263.23648	1.0
306.27927	26.0
320.27502	0.4
337.27377	100.0
338.27829	1.2
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
51.09919	1.6
53.03946	4.7
55.01866	4.1
55.05521	13.5
56.05840	1.4
56.96557	1.9
57.03431	4.3
59.05009	1.7
60.04510	1.9
61.02934	2.9
65.03945	1.6
67.05509	29.7
68.05820	1.3
69.03444	6.9
69.07077	7.1
69.66623	1.6
69.79845	1.2
70.06593	4.1
70.06921	5.9
71.04994	2.9
73.02916	1.7
78.61298	1.2
79.05496	51.2
80.05855	1.4
81.03434	11.2
81.07062	27.7
82.07423	1.5
83.04990	6.6
83.08635	7.7
84.08138	1.4
85.02924	9.8
87.04467	3.0
88.25591	1.3
91.03955	1.9
91.05486	35.3
92.05849	1.9
93.07053	49.8
94.07411	2.1
95.04980	10.7
95.08619	14.5
97.02882	5.5
97.06535	5.9
97.10192	6.8
98.06077	2.4
98.10525	1.9
98.20873	1.7
99.04488	1.8
103.05459	1.4
105.04520	1.8
105.07040	22.5
106.07410	1.9
107.04960	6.1
107.08611	13.5
108.05299	1.7
108.08933	1.9
109.02892	10.7
109.06518	4.5
109.10146	3.2
117.07011	6.8
118.83196	1.4
119.04946	11.2
119.08593	15.9
120.08943	1.3
121.06519	3.1
121.10152	3.8
123.08051	6.7
125.09644	4.4
127.03932	28.6
129.07068	11.5
131.04927	1.7
131.08565	4.9
133.06529	2.7
133.10149	7.9
135.08075	2.0
135.11705	2.9
143.08629	7.2
145.06485	1.6
145.10132	7.1
147.04425	36.0
147.08066	2.7
147.11702	30.4
153.09123	1.6
157.10045	1.3
158.10622	1.7
158.11795	4.8
161.09631	3.3
161.13264	7.3
163.11227	1.6
171.11696	23.8
177.16409	3.2
185.13206	1.5
189.12828	10.0
192.36488	1.3
193.12231	2.0
196.06299	1.4
207.13823	42.3
225.06631	2.6
225.14899	7.4
248.16389	1.4
254.17567	1.4
267.15924	4.3
274.15015	1.5
281.17490	100.0
295.07001	1.8
299.18472	3.2
314.19424	1.7
332.20657	26.5
333.16956	5.1
340.23386	1.5
350.21887	3.6
351.18033	20.3
368.23096	8.1
369.18979	13.4
385.23816	3.7
386.24072	12.7
404.25104	3.7
418.14093	2.6
460.15015	2.5
460.22052	2.3
460.28284	11.1
478.15924	5.9
478.28891	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	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01878	5.7
56.05025	1.0
57.03429	3.3
60.04529	1.4
61.02916	2.9
67.05508	1.0
68.05021	0.9
68.99799	1.6
69.03437	13.0
69.70656	4.6
70.06599	6.5
71.04973	2.2
72.04501	0.9
72.08151	1.3
73.02913	3.5
79.05480	2.9
80.05002	1.0
81.02985	1.2
81.03424	14.2
81.07046	1.1
83.04955	0.9
84.04494	1.7
84.08155	6.3
85.02911	37.1
85.08456	1.2
86.09689	2.2
87.00835	11.9
87.04491	0.9
91.03931	1.5
91.05474	2.6
93.07025	1.2
95.04964	2.9
97.02892	10.3
98.97571	0.8
99.04455	6.1
103.05469	2.5
105.01881	8.5
105.07021	1.7
107.04961	23.5
108.04468	4.4
109.02897	12.2
112.43565	0.8
117.01854	1.7
119.08527	0.8
120.05713	1.3
120.08115	2.2
121.06491	2.2
123.04431	1.0
124.05193	1.1
126.05536	2.7
127.02971	1.2
127.03925	22.5
129.01857	1.0
129.10246	1.2
131.04982	1.2
135.08072	6.5
137.05998	2.4
145.04962	10.3
147.02898	0.9
147.04500	1.2
159.02887	7.8
159.66953	0.9
163.07561	27.5
167.07047	58.8
172.06006	1.7
180.07845	1.9
180.76573	0.8
181.08595	5.1
187.10986	1.0
193.08760	1.0
195.10188	23.0
213.11227	100.0
223.09688	1.4
230.06578	2.0
231.05016	3.1
237.11237	3.2
248.07634	3.6
255.12183	1.6
266.08676	1.5
279.12274	2.1
285.11221	1.6
298.20224	1.7
303.12274	5.5
316.21317	0.9
321.13367	7.7
371.49542	1.0
382.22348	0.9
442.24390	1.7
478.28287	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02968	2.4
53.03188	2.6
53.03946	7.3
55.01878	10.0
55.05515	61.5
56.96564	3.0
57.03446	9.4
59.04998	2.3
61.02925	1.9
65.03938	4.1
67.05168	3.5
67.05509	49.2
69.03421	8.9
69.07069	12.4
70.14024	4.0
71.04992	4.6
79.05499	57.4
81.03418	18.0
81.07060	44.5
83.04985	10.8
83.08626	32.6
85.02920	4.7
85.06549	4.5
86.09715	2.1
91.05488	37.7
91.06016	3.3
93.07050	36.6
95.04968	15.4
95.08605	23.0
97.06516	9.3
97.10174	49.9
97.10773	2.7
98.97610	2.3
101.09658	1.9
103.05555	2.0
105.04523	3.1
105.07035	29.8
105.07684	2.6
107.04963	28.6
107.08598	33.2
109.02902	2.2
109.06523	9.7
109.10162	13.3
111.04478	1.5
111.08101	6.1
112.43943	1.5
115.05488	3.7
117.07018	18.0
119.04954	5.3
119.08601	19.8
121.06519	25.8
121.10167	10.1
123.04449	1.7
123.08067	10.5
123.11754	3.3
123.12710	1.6
125.06026	4.0
125.09647	39.9
127.03957	3.6
128.06247	3.1
129.07011	12.6
131.04967	6.6
131.08575	20.7
133.06473	11.2
133.10132	9.3
135.04460	2.3
135.08066	10.1
135.11711	4.8
137.06004	2.4
137.09641	2.3
141.06995	4.5
142.07849	2.3
143.08545	8.7
145.06503	19.4
145.10146	11.8
147.04436	13.9
147.08038	9.4
147.11707	15.4
149.06001	3.2
149.09634	3.8
151.07591	7.4
153.09077	9.3
153.12758	3.2
155.08591	6.4
157.06554	4.6
157.10120	10.8
159.08066	5.6
159.11728	5.2
161.06042	4.3
161.09665	6.2
163.11209	5.4
165.09123	2.1
167.08606	3.0
169.03517	1.6
169.06566	1.8
169.10188	5.3
171.08038	3.4
171.10350	3.5
171.11748	10.3
173.09674	5.3
174.99129	1.6
175.11229	6.1
177.12798	3.1
181.10156	4.2
183.08115	2.0
183.11838	2.6
185.09723	2.7
185.13338	3.1
187.11224	4.9
187.14908	4.6
189.11261	21.9
189.12822	7.6
193.12271	12.7
195.11771	4.9
197.09631	2.8
197.13339	5.0
199.11325	4.6
199.14790	2.0
203.14366	1.9
205.12302	4.6
205.15999	2.6
207.11853	1.7
207.13701	2.1
209.13464	2.1
211.11421	2.3
211.13350	3.5
213.12762	3.0
215.14349	7.5
217.12175	4.4
223.11310	2.0
223.13303	3.7
225.12755	3.5
227.12814	5.6
227.14662	2.3
231.13817	2.5
233.15343	14.5
237.12793	3.1
239.14314	2.1
241.14444	6.2
245.15602	3.2
249.14977	2.0
255.13922	4.8
257.15436	1.7
259.13315	2.9
261.14932	1.9
267.16034	9.6
269.10535	2.2
269.15460	2.2
271.16998	2.6
273.14813	20.3
275.16486	2.1
281.17685	6.0
283.17081	3.0
285.10120	1.9
287.16440	2.6
289.17938	3.8
291.16064	5.2
332.20685	2.8
339.23300	7.3
345.40427	1.7
347.18579	1.8
349.21661	20.1
352.26913	1.9
357.24356	7.4
367.22708	52.4
367.27371	2.5
385.23740	100.0
386.24298	2.6
403.24893	26.2
405.24307	1.9
423.25894	1.8
441.26456	8.8
459.27451	79.2
477.28619	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	477.2849
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.03939	4.8
55.01880	7.3
55.05511	18.3
55.82803	1.3
57.03438	14.0
57.07046	1.6
61.02916	1.5
65.03931	1.5
67.05170	2.3
67.05507	34.5
69.03436	8.4
69.07066	14.6
69.95023	3.2
69.95416	2.8
71.04992	3.7
73.02905	4.6
73.06533	1.8
79.05061	2.4
79.05491	30.4
81.03422	32.7
81.07060	41.4
83.04959	9.5
83.08620	9.9
85.02908	4.0
85.06533	2.9
87.04492	2.0
89.91999	1.2
91.05483	39.7
93.07040	28.7
95.04975	15.4
95.08606	20.7
97.02908	6.2
97.06520	6.2
97.10170	4.1
99.04443	3.4
99.08127	2.1
101.02337	1.4
103.03961	2.4
103.05455	3.1
105.07033	39.4
107.04945	8.8
107.08616	17.7
109.02883	1.5
109.06519	5.9
109.10172	5.9
109.30338	1.3
111.04452	2.5
111.08099	3.3
115.03922	1.9
115.05470	4.7
117.07010	24.6
119.04962	2.0
119.08586	26.8
121.06489	4.1
121.10158	12.1
123.04466	2.0
123.08060	4.7
123.11728	5.9
125.09606	2.1
127.03931	3.3
128.06224	9.7
129.05479	3.9
129.07007	25.5
131.04936	2.8
131.08566	32.2
133.06508	5.4
133.10123	13.3
135.08105	4.0
135.11690	7.0
137.09607	2.3
141.07002	14.9
142.07729	9.5
143.08560	25.6
144.05635	1.4
145.06493	11.2
145.10138	20.0
147.08055	6.9
147.11687	24.2
149.09592	2.9
149.13257	1.9
151.07516	2.5
153.07008	5.3
154.07697	3.4
155.08554	22.5
156.09364	3.1
157.06514	7.4
157.10135	23.5
158.10912	1.9
159.08081	10.3
159.11682	15.2
161.09654	5.2
161.13159	2.9
163.11227	2.8
165.07005	4.8
165.12785	9.9
166.07780	4.4
167.08534	12.6
168.09406	4.0
169.06525	1.6
169.10115	20.5
171.08047	10.0
171.11700	17.3
173.09642	8.3
173.13261	8.1
175.11214	6.6
175.14841	2.2
178.07849	2.3
179.08604	4.1
181.10118	11.5
182.07352	2.2
182.10956	1.8
183.08087	5.6
183.11694	15.9
183.13344	1.7
184.08835	2.3
185.09651	6.8
185.13258	10.3
187.07518	1.9
187.11232	7.0
187.14865	2.7
189.12761	1.4
191.10719	2.0
193.10156	5.0
193.12251	8.7
194.10976	1.5
195.08080	5.2
195.11655	11.7
197.09653	5.3
197.13248	9.7
199.11240	6.4
199.14906	3.9
199.91988	1.4
201.09232	2.2
201.12764	4.9
205.10156	2.6
205.12296	1.7
207.11737	4.2
209.09651	6.1
209.13248	8.1
211.11195	5.7
211.14856	5.3
213.12769	4.7
213.16386	1.4
215.14357	2.5
221.13289	3.4
223.11200	3.6
223.14871	2.9
225.12758	5.0
227.10831	1.8
227.14458	3.0
229.12288	1.7
233.13351	2.0
235.11134	2.5
237.12804	4.0
239.14336	2.2
241.12276	2.0
241.19595	2.4
243.13881	1.9
249.12735	1.5
255.13908	1.5
255.17336	2.1
258.19568	1.5
264.18848	1.5
265.19656	1.7
267.15854	8.8
269.15536	1.8
269.18930	2.0
271.20441	1.9
273.14893	1.8
274.73123	1.4
281.19153	1.7
283.20602	2.4
293.22849	1.4
295.20523	3.9
297.22156	1.8
299.20114	1.9
301.21719	3.0
307.20602	3.8
313.21713	5.5
315.23187	2.0
321.22055	4.8
325.21609	10.7
336.75922	1.5
337.21658	3.5
339.23233	7.3
341.21155	1.5
343.22775	3.7
345.24365	2.4
349.21573	16.5
351.25183	1.8
355.22693	1.9
357.24179	5.5
361.23862	3.8
367.22653	28.8
373.23822	4.4
385.23773	21.5
387.25323	8.6
399.20563	1.4
399.25412	4.2
403.24829	5.2
411.25287	1.9
413.07458	1.4
413.26852	3.8
417.26422	14.9
423.25546	6.6
429.26273	10.2
441.26395	53.5
459.27438	50.2
477.28537	100.0
478.28885	1.5
497.36948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.0
55.05267	3.5
55.05516	60.4
57.03433	8.3
57.07061	2.0
59.05030	2.5
65.03933	4.6
67.05509	58.8
69.03426	10.4
69.07070	17.6
70.67373	2.2
70.67698	5.0
71.05002	6.5
72.08141	1.9
79.05495	53.9
81.03424	33.8
81.07059	49.3
83.04985	10.8
83.08620	28.6
85.02909	3.0
85.06551	5.0
91.05485	38.5
93.07049	34.4
95.04975	22.1
95.08617	22.9
97.02888	2.9
97.06541	9.3
97.10178	50.8
97.10780	3.8
103.05473	2.2
105.07044	31.2
107.04962	34.1
107.08610	30.9
109.06516	14.2
109.10165	20.4
111.08085	6.1
113.06013	8.1
115.05465	4.8
117.07016	13.4
119.04955	2.9
119.08591	19.0
120.16853	2.1
121.06523	23.3
121.10145	11.3
123.04431	2.7
123.08062	8.4
123.11726	5.7
125.06062	2.4
125.09637	43.7
128.06262	2.6
129.07022	15.1
131.04956	4.5
131.08582	20.1
133.06499	12.9
133.10143	14.3
135.04424	2.6
135.08070	17.6
135.11723	6.9
141.07045	4.5
142.07796	2.9
143.08560	8.1
145.06473	20.1
145.10143	7.3
147.04417	6.2
147.08058	11.0
147.11653	12.4
149.09651	4.1
151.07547	3.2
151.11162	2.2
153.06966	2.0
153.09116	8.2
155.08591	4.3
157.06522	4.6
157.10152	7.8
158.11781	3.5
159.08083	5.5
159.11716	5.2
161.06009	3.6
161.09676	5.9
161.13284	2.4
163.03935	2.8
163.11166	6.0
165.12743	3.7
169.10138	4.5
171.08095	6.7
171.11707	8.1
173.09648	5.9
175.11194	9.6
177.12817	3.1
179.08670	2.7
181.10167	2.6
183.08075	2.6
185.09550	4.1
185.13268	3.2
187.11194	2.6
187.14891	4.2
189.11250	22.9
189.12785	5.2
193.12212	16.2
195.11708	4.0
197.13306	5.5
199.11299	5.7
205.12312	4.2
205.16133	2.3
207.11571	2.2
209.09747	2.1
209.13364	3.2
211.13269	4.2
213.12724	3.9
215.14351	6.0
217.12219	4.3
219.13821	2.2
223.11218	2.9
223.13309	4.5
225.12817	2.8
227.12575	11.9
233.15309	14.3
237.12903	2.9
239.14351	3.1
241.12206	3.1
241.14392	6.9
245.15440	3.0
249.14844	5.3
255.13892	4.5
257.15292	2.9
266.09735	2.0
267.15985	19.3
271.16867	2.1
273.14911	18.9
273.18048	3.3
287.16412	3.7
289.18112	2.0
291.19604	5.4
321.22214	2.6
339.23154	10.6
341.21417	2.6
349.21603	20.9
357.24100	10.2
365.23251	5.5
367.22711	55.9
385.18716	3.9
385.23761	98.7
403.24826	26.0
433.26080	5.8
441.26404	10.5
459.27463	100.0
477.28561	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.01870	4.0
55.05516	9.5
56.96558	1.7
57.03437	5.7
60.04544	1.8
61.02934	3.3
67.05506	26.0
69.03415	4.7
69.07072	7.4
70.06561	1.6
70.14709	6.7
71.04990	4.0
71.34943	1.2
73.02927	2.2
77.48010	1.3
79.05505	20.3
81.02986	1.8
81.03428	23.1
81.07061	34.4
83.04983	4.4
83.08625	6.1
84.08109	1.5
84.36584	1.6
85.02903	5.5
85.06538	3.2
89.42086	1.4
91.03992	1.6
91.05479	15.2
93.07047	22.1
95.04965	10.4
95.08615	20.9
96.08968	1.4
97.02911	4.3
97.06539	5.4
97.10178	4.3
98.21474	2.8
100.11253	1.6
101.41472	1.3
103.05478	1.9
105.07018	12.9
106.77959	1.2
107.04963	15.9
107.08620	10.9
109.02853	2.6
109.06519	4.8
109.10157	5.2
111.04419	2.0
111.08083	3.6
113.44173	1.3
115.05389	1.5
117.07024	8.4
119.04932	1.9
119.08582	6.5
120.08121	1.7
121.06480	5.0
121.10133	5.5
123.04415	1.8
123.08086	10.8
123.11723	2.0
125.09612	3.3
127.03921	3.3
129.07024	1.9
131.04944	2.7
131.08554	8.1
133.06538	3.0
133.10152	5.4
135.08020	5.0
135.11705	12.5
137.09663	2.4
141.06973	2.3
145.06490	9.6
145.10156	4.5
147.04433	7.0
147.11688	2.8
149.09589	2.2
149.13257	6.9
157.10185	2.4
159.08076	2.1
159.11714	12.6
161.09677	2.5
163.11203	1.6
165.09161	2.2
169.10123	4.8
177.12727	8.9
178.16753	3.3
187.11166	11.0
193.12196	1.6
195.13823	6.0
205.12248	3.1
211.17023	2.6
218.13277	1.6
223.13367	8.4
241.14279	11.7
267.16135	1.8
279.15921	43.3
292.81973	1.5
297.16977	100.0
301.07065	18.0
339.23187	2.6
349.21619	1.9
367.22647	5.4
385.23792	10.5
403.24774	2.6
441.21350	3.3
459.21866	2.1
459.27628	9.8
477.10278	5.4
477.28259	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	477.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57921	2.5
53.03947	3.9
55.01863	8.3
55.05516	27.4
56.96563	9.3
57.03434	7.9
67.05512	44.7
69.03423	11.9
69.07071	37.3
71.04984	4.4
71.57109	3.0
78.40043	2.8
79.05500	38.0
81.03419	14.8
81.07065	37.6
83.04979	8.5
83.08633	12.4
85.02912	3.5
85.06525	3.6
91.05478	26.4
93.07053	25.8
95.04976	10.3
95.08620	17.2
97.02905	13.5
97.06528	6.7
97.10175	16.0
98.97564	6.6
105.07061	18.2
107.04934	12.8
107.08595	18.1
109.06520	5.8
109.10171	14.9
111.08081	2.8
112.99277	4.8
113.00029	38.8
116.98571	4.3
117.07024	10.8
117.30760	2.6
119.08588	17.3
121.06521	6.1
121.10137	9.2
123.08128	3.4
125.09648	14.0
129.07018	5.3
131.00195	5.9
131.08574	11.6
133.06526	3.2
133.10132	15.9
135.08046	5.1
135.11716	7.7
141.07079	3.2
143.08551	5.9
145.06516	2.6
145.10126	8.2
147.08092	8.9
149.01231	4.3
149.09593	5.7
149.13275	6.3
151.11157	4.1
157.10094	5.7
158.99661	4.5
159.11714	3.0
161.09660	3.1
161.13266	2.9
163.11172	5.4
166.44795	2.6
169.02603	7.3
169.12222	2.6
171.11754	3.1
173.09656	4.2
175.26604	2.7
177.00682	2.4
177.12701	2.9
185.09676	2.5
187.03694	5.2
189.11230	9.9
193.12303	5.0
197.09946	3.1
199.06589	2.8
223.13300	23.1
227.12816	11.0
227.17657	2.8
259.08481	6.7
263.20309	3.6
265.14365	6.2
273.18484	13.5
276.13110	4.7
284.12601	8.5
284.62918	6.2
291.19547	92.1
293.05383	4.3
311.06354	3.1
347.22058	8.6
349.17386	3.3
365.23285	100.0
367.22360	5.9
385.23779	8.5
441.20340	8.7
441.26236	4.8
459.21594	5.2
459.27493	11.4
477.16391	8.3
477.28455	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1033
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
54.25427	0.2
55.05523	0.2
67.05540	0.2
69.62618	0.9
70.06620	0.3
80.70302	0.2
81.03429	0.2
81.07045	0.2
85.02931	0.4
91.05527	0.3
98.97617	0.2
118.65121	0.2
120.08141	0.2
147.04462	0.8
148.04784	0.4
153.01819	0.3
158.83603	0.2
229.05038	0.3
258.05264	14.1
259.05661	0.3
286.04739	34.1
287.05154	0.4
301.07080	100.0
302.07449	1.2
318.73648	0.2
327.26382	0.3
328.26733	0.2
329.27014	0.4
330.27374	0.2
349.13110	0.2
476.31076	0.5
477.10349	5.3
477.30865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.6
55.05518	34.8
57.94743	2.6
67.05511	23.9
69.03412	5.1
69.07078	13.2
70.14467	10.4
79.05500	24.7
81.07063	19.1
83.08614	15.8
91.05474	9.5
93.07029	11.4
95.08588	4.9
97.10173	42.6
103.05480	4.3
105.07008	9.0
107.08592	21.9
109.10145	7.9
115.05449	3.4
117.07023	9.5
119.08547	6.0
121.44259	2.7
122.30865	2.7
125.09634	38.3
129.07002	8.9
131.04909	3.2
131.08569	7.4
135.08064	10.1
141.07024	5.9
143.08533	5.0
145.06535	6.9
145.10104	4.7
149.09634	3.9
153.09094	10.4
155.08482	3.8
157.10059	3.3
166.59402	3.7
167.08629	3.4
171.11687	3.8
183.11650	2.6
195.11652	5.4
197.13214	5.8
203.12759	36.2
213.12785	3.9
215.14349	29.9
241.12282	4.2
247.16891	5.2
273.14810	4.9
327.59412	3.0
349.21667	7.5
353.75150	2.7
355.77155	3.0
367.22693	15.8
381.23837	7.0
399.25381	76.6
431.27966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05514	3.3
56.87572	0.5
62.06081	1.3
67.05506	12.4
69.07068	3.6
71.08043	0.8
79.05485	5.2
81.07057	9.6
82.03714	0.5
83.08614	1.5
85.05268	2.1
86.06051	0.8
91.05464	1.9
93.07043	4.0
93.87943	0.6
95.08608	7.5
97.06509	0.6
97.10160	0.6
98.06062	10.0
98.98479	1.1
105.07019	1.8
107.08584	3.2
109.10152	2.4
112.07582	1.6
119.08555	0.9
121.10128	1.6
131.08533	0.7
133.10129	0.7
135.11627	0.7
138.09149	0.7
140.10738	0.7
145.10144	0.8
154.12228	0.5
208.16896	1.1
236.20029	0.6
304.26343	100.0
335.25790	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.2
55.18530	1.6
57.03440	5.5
62.06090	35.5
63.02763	1.9
67.05166	3.2
67.05504	27.4
69.07073	8.8
69.81729	7.7
78.14674	1.8
79.05484	16.8
81.07059	25.6
83.08632	3.8
91.05501	9.0
93.07051	19.4
95.04977	1.8
95.08603	17.1
98.06037	2.9
98.98467	10.3
103.46814	2.1
105.07035	6.0
107.08569	10.8
109.10154	8.8
117.07003	2.9
119.08599	5.5
121.10162	10.7
123.11655	2.7
124.01569	2.0
133.10185	4.3
135.11725	5.1
145.10153	2.8
147.11653	2.2
155.01039	3.8
173.02058	2.3
216.06358	5.7
261.22125	7.5
300.42477	1.8
304.26395	17.5
310.88327	1.8
335.25803	100.0
338.26712	1.8
458.26480	7.6
476.27551	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05517	7.2
57.03443	5.4
57.07079	0.7
62.06078	0.9
65.03919	1.3
67.05508	25.8
69.06725	0.5
69.07069	6.6
69.92954	2.2
71.04982	0.7
79.05496	14.1
81.07063	22.0
83.04968	1.0
83.08616	2.1
85.05270	0.5
85.06522	0.6
91.05479	5.8
93.06471	0.8
93.07051	14.3
95.04984	1.0
95.08611	16.9
97.06527	1.0
97.10172	0.4
98.06071	1.8
98.20725	0.5
105.07019	3.6
107.08599	5.9
107.27618	0.4
109.06534	0.6
109.10154	6.2
117.07030	0.9
119.08597	2.3
121.10147	4.9
123.08055	0.5
123.11690	1.3
129.05339	0.4
131.08565	2.4
133.10118	1.9
135.11668	2.6
137.13319	0.5
145.10135	1.0
147.11719	0.7
149.13240	1.1
159.11691	0.8
161.13269	0.8
162.78587	0.4
173.13206	0.5
187.14729	0.5
216.06471	0.5
217.58394	0.4
229.07520	0.5
302.80457	0.4
304.26361	18.0
335.25809	100.0
336.26154	1.4
476.24011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70705	0.5
53.03939	0.6
55.01864	0.6
55.05510	2.0
60.04508	0.7
67.05498	1.6
69.03417	2.1
69.07069	5.1
70.61555	1.6
70.81532	0.5
71.05014	0.5
78.86018	0.4
81.03412	1.9
81.07047	1.9
83.08637	1.2
85.02912	5.1
87.00832	2.6
91.05478	3.3
93.07039	1.7
95.08621	4.6
97.02871	2.3
99.04451	1.1
105.01881	2.4
105.07040	5.5
107.08587	2.0
109.02886	2.0
109.10176	2.9
119.04951	1.9
119.08587	24.0
120.05273	1.2
121.10126	1.9
127.03937	3.5
131.08575	1.0
133.10136	24.2
134.10767	0.6
135.11685	1.9
137.09633	0.7
145.04935	1.4
145.10103	1.7
147.04425	7.0
147.11679	3.2
148.04756	3.0
149.18202	0.5
159.02884	1.1
173.13301	1.3
175.14832	100.0
177.16377	0.7
192.02937	0.5
193.15897	5.4
231.04982	0.8
256.24533	0.6
329.28000	3.8
330.28314	8.6
334.25336	0.6
387.17920	0.5
476.32068	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	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01876	2.5
55.05507	1.9
56.05048	1.4
57.03445	14.6
60.04520	4.4
61.02918	1.5
65.03934	1.1
67.05505	1.3
69.03435	47.0
69.07069	1.7
70.06602	7.9
70.24582	2.4
70.24972	2.2
71.04990	1.5
72.08146	5.7
75.04483	1.3
81.03407	3.4
81.07064	1.6
83.04995	1.6
84.04517	4.6
84.08140	3.1
85.02908	30.3
86.09722	10.7
87.04473	34.0
91.05492	6.5
95.04974	2.4
96.04467	1.6
97.02288	1.9
97.02899	38.6
97.06536	2.6
98.06033	2.0
98.09704	5.9
99.04443	2.4
99.10008	1.7
102.05539	1.2
103.03933	1.5
105.07059	1.7
110.07142	1.5
111.04429	1.3
115.03938	44.8
119.04955	15.2
120.08085	2.9
123.04425	1.8
126.05525	2.4
126.31689	1.0
127.03924	4.2
128.07059	2.9
129.10225	2.8
133.04973	48.2
136.07611	1.3
138.05508	9.3
143.04965	1.5
144.06564	3.3
145.04979	4.2
147.04422	100.0
148.04793	1.7
150.07623	14.9
159.11424	1.2
161.05995	2.6
165.05482	54.9
171.04379	1.8
172.05981	1.3
173.09299	2.6
180.08687	1.9
186.07692	1.2
189.05481	7.0
195.13687	1.0
201.12582	1.1
207.06532	9.8
222.18550	1.7
225.05515	1.3
230.11404	1.2
241.07100	2.0
243.06453	4.1
248.12541	1.3
259.08185	2.1
261.07675	1.6
261.77100	1.1
279.08582	4.9
295.10092	1.3
314.23309	5.3
324.68250	1.3
440.22427	2.9
476.29623	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	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55317	1.7
55.01869	6.9
56.96560	2.9
57.03440	4.0
57.44088	1.7
59.00996	1.6
60.04532	2.4
61.36864	1.7
68.05019	3.5
69.03439	13.0
70.06592	11.8
71.31749	4.0
72.08152	9.8
79.05439	1.8
84.04485	3.5
84.08145	5.2
85.02914	21.7
86.06069	10.8
86.09715	13.6
87.04478	6.2
87.10032	2.6
90.05542	1.9
91.05488	18.5
95.01328	19.3
95.04943	2.6
97.02894	12.6
98.97578	6.2
102.05573	2.1
103.05457	2.9
105.07045	11.6
107.04935	2.3
109.02879	4.3
110.07160	2.7
115.03918	5.9
115.05415	3.7
116.07066	6.9
116.98650	1.8
117.07027	3.0
118.04137	1.9
118.24421	1.6
119.04950	27.9
121.06505	2.1
123.04441	23.4
123.08092	2.5
129.10205	3.9
131.04942	7.7
131.08562	2.5
133.04935	6.5
133.06494	31.1
141.06992	3.9
145.04901	2.6
145.05310	2.8
145.06490	35.9
147.04417	100.0
147.08066	2.0
148.04753	4.0
149.05975	4.9
155.06091	2.0
157.06506	6.9
159.04367	4.5
159.08070	4.9
161.05992	45.5
163.03931	2.7
165.05473	20.8
169.06499	4.7
171.04428	7.2
171.08081	3.8
173.05997	54.3
175.03885	4.2
175.07494	2.6
177.05511	3.2
181.06496	2.2
182.04895	4.5
185.06001	11.4
187.07529	9.4
187.14441	3.1
189.05464	15.1
191.07050	8.4
193.08594	21.0
197.05965	22.4
199.07491	9.7
199.11191	3.4
201.05444	13.1
203.06953	2.2
207.06519	2.3
215.07045	34.7
217.05035	2.7
219.01773	2.3
219.06529	47.1
225.05351	2.2
231.06532	5.0
233.08136	21.7
237.02734	4.0
237.07555	4.3
239.02472	2.3
243.06554	39.5
245.15036	9.1
261.07593	61.1
261.11176	8.2
279.08636	49.1
293.09076	6.7
297.09848	2.2
305.05762	2.0
344.21817	2.9
355.94492	1.9
377.19202	7.7
404.69568	2.2
439.12540	4.2
476.18979	2.2
476.26144	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	475.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.2
57.07088	8.7
60.47894	2.8
67.05509	33.1
69.07072	57.0
69.44540	6.1
69.44939	17.0
72.51217	2.9
79.05493	17.1
81.07061	100.0
83.08613	14.6
88.77882	3.2
91.05486	14.8
93.07044	35.3
95.08610	65.4
96.08315	3.6
97.10162	8.0
105.07015	22.1
107.08600	41.9
109.10164	56.3
119.08599	31.6
121.10143	30.7
123.11714	24.4
131.08565	14.3
132.63451	3.7
133.10115	23.5
135.11687	24.0
137.13240	9.9
143.08543	7.8
145.10164	17.1
147.11696	24.7
148.37466	3.5
148.77501	3.0
149.13240	13.0
157.10094	13.3
159.11700	23.6
161.13281	16.4
163.14828	14.5
167.17476	3.2
171.11681	13.3
173.13243	15.3
175.14845	12.4
177.16373	4.3
179.22705	3.5
181.34299	3.0
183.11679	7.2
185.13297	7.6
187.14758	8.9
189.16376	7.6
191.18010	4.7
197.13322	4.9
199.14821	13.8
201.16382	12.3
203.18005	6.9
211.14783	4.8
213.16438	15.8
215.18002	10.5
225.16391	5.5
227.17989	6.3
229.19571	5.4
243.21236	4.4
251.04703	10.2
253.19371	4.3
255.21068	9.4
257.22598	18.0
269.22607	9.5
276.69012	3.5
283.24210	6.6
323.27426	5.5
325.28873	6.0
337.28760	4.0
363.17154	6.5
475.32950	7.7
475.42984	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
54.77945	1.4
55.05520	8.3
57.03438	18.5
57.06795	1.6
57.07079	41.3
61.02932	50.2
65.09105	1.4
67.05506	18.1
69.03083	1.9
69.03435	24.5
69.07071	8.7
71.01350	2.4
71.04992	3.7
71.08278	2.7
71.08634	27.9
71.57318	1.6
73.02917	21.0
75.04501	2.0
79.05487	4.1
81.03425	14.5
81.07058	21.4
83.04991	3.3
83.08618	13.5
85.02908	49.3
85.10191	17.1
85.79361	1.2
86.94857	1.5
91.03963	32.8
91.05480	2.5
93.07068	2.7
94.20403	1.4
95.08609	26.0
97.02895	48.3
97.10179	7.0
99.04478	7.6
101.02381	10.0
103.03960	13.2
105.07020	3.0
106.85498	1.4
107.08626	2.3
109.02910	7.8
109.06534	1.4
109.10142	12.8
111.11695	1.9
115.03969	4.3
117.05483	1.5
119.08566	2.4
123.11703	3.7
125.13268	2.5
127.03922	18.7
129.05511	3.3
137.13258	2.3
145.04973	8.2
183.06566	4.4
201.07620	6.6
221.22701	2.2
239.23703	31.2
257.24789	4.8
298.27393	1.8
313.27386	100.0
341.26941	4.0
355.28586	1.8
376.46713	1.6
383.27872	1.7
457.31555	4.8
475.32535	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83377	0.8
57.03423	1.3
60.14024	0.9
61.55567	0.9
67.05496	3.5
69.29576	0.9
71.57310	1.1
79.05481	2.3
81.07044	2.8
91.05465	1.1
93.07069	2.4
95.08595	2.5
100.47055	1.0
105.07047	1.3
119.08570	1.3
159.11740	0.9
171.06653	1.0
197.81908	0.9
249.12480	0.9
249.14622	61.3
475.30316	100.0
476.30682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83377	0.8
57.03423	1.3
60.14024	0.9
61.55567	0.9
67.05496	3.5
69.29576	0.9
71.57310	1.1
79.05481	2.3
81.07044	2.8
91.05465	1.1
93.07069	2.4
95.08595	2.5
100.47055	1.0
105.07047	1.3
119.08570	1.3
159.11740	0.9
171.06653	1.0
197.81908	0.9
249.12480	0.9
249.14622	61.3
475.30316	100.0
476.30682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01862	5.0
55.05499	3.4
56.96563	1.2
57.03425	5.6
60.04514	2.7
61.02920	4.5
67.05492	5.0
69.03431	17.3
69.07082	11.6
69.37019	10.3
70.06586	3.9
71.04992	2.5
72.08164	1.5
73.02914	2.1
79.05505	6.9
81.03433	7.8
81.07060	9.7
83.01341	9.4
83.04982	1.6
83.08605	1.5
84.08127	3.1
85.02908	37.6
85.06503	2.6
86.09682	2.7
91.03954	2.3
91.05478	8.2
93.03390	1.5
93.07045	6.1
94.06556	2.1
95.04945	3.6
95.08640	7.3
96.08121	1.5
97.02885	14.1
97.06544	3.3
97.10162	1.6
98.20702	2.2
98.97545	1.5
99.04439	3.3
103.03956	2.1
105.07045	6.5
107.04964	13.4
107.08562	4.6
109.02872	5.3
109.06524	23.7
109.10152	2.9
110.09672	2.8
115.05415	2.0
117.07007	2.6
119.04948	6.7
119.08555	3.9
120.08103	2.7
121.02812	1.5
121.06512	23.4
121.10149	2.6
123.04433	3.5
127.03926	10.1
129.07016	1.5
131.04877	1.9
131.08582	2.0
133.06499	33.4
133.10152	2.4
135.04384	7.5
135.08061	1.6
137.05983	67.5
145.02838	2.1
145.04980	9.4
145.06102	1.4
145.10060	2.4
147.04401	15.7
147.08040	3.0
148.04697	3.8
149.05981	7.5
151.07549	6.0
151.11179	1.3
159.08023	1.4
161.05981	10.7
163.07535	5.9
163.11232	1.6
165.09096	2.7
167.07002	1.5
173.05994	1.5
173.13231	1.5
175.07529	4.5
177.05431	2.2
179.06990	3.3
187.07561	1.3
191.10611	1.5
193.12132	1.9
203.07025	5.7
209.15198	1.6
209.19009	3.6
227.12708	1.4
227.16415	2.0
245.08046	1.9
248.62878	1.3
257.11731	100.0
263.08945	1.5
269.11652	1.6
271.05984	2.7
281.11691	9.6
283.08743	1.6
299.12805	7.7
301.09576	4.1
313.17990	58.3
323.12753	4.3
325.17896	3.9
327.26376	7.4
328.26794	2.9
329.27847	12.0
337.17773	1.4
347.12814	1.9
353.13800	2.0
353.24493	1.7
365.13828	1.8
379.18805	7.3
383.14841	6.8
383.22552	1.9
387.16681	2.3
401.15854	2.3
415.18088	4.7
419.18484	1.9
421.20160	1.7
427.17795	1.6
439.21030	6.1
457.30371	1.7
466.19455	3.5
475.14890	3.4
475.20352	2.7
475.31680	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	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
53.37336	0.8
54.51508	1.0
54.69527	0.8
55.01877	3.2
55.05514	6.2
55.73408	1.0
56.05040	1.2
56.96555	1.2
57.03431	3.1
57.07078	2.7
58.91979	0.9
59.05017	1.7
60.04518	1.5
61.02929	1.1
67.05503	7.1
67.64279	0.9
68.99793	1.0
69.03423	8.7
69.07065	6.7
70.06596	2.8
71.04984	2.9
71.57392	2.1
72.08158	1.8
73.02912	1.5
77.03916	1.1
79.05492	8.3
80.05006	2.4
81.03423	6.8
81.07063	13.4
82.06570	1.5
83.04972	6.2
83.08621	4.2
84.08140	10.1
85.02898	13.2
85.06545	5.9
86.09707	13.6
87.00841	5.3
91.03975	1.1
91.05478	9.0
93.07047	16.7
93.07629	1.4
94.06577	3.1
95.04973	4.4
95.08610	19.3
97.02902	6.1
97.06544	4.5
99.04471	3.3
99.08094	13.6
105.01881	5.6
105.04453	1.1
105.07038	10.3
107.04967	5.3
107.08595	32.9
109.02872	5.8
109.06504	7.0
109.10156	10.4
110.09665	1.8
111.04424	1.2
111.08070	4.9
117.07082	1.4
119.04951	6.1
119.05775	0.9
119.08568	5.1
120.05228	2.4
121.06489	14.3
121.10142	24.4
123.08076	14.9
123.11703	2.5
125.06040	2.5
125.09647	4.9
126.09145	1.5
127.03919	10.3
131.08571	10.4
133.06482	1.0
133.10141	16.9
135.08054	14.6
135.11691	4.9
136.08765	1.0
137.09630	5.6
139.07602	1.5
139.11206	2.4
145.04988	2.6
145.10149	3.6
147.04414	16.3
147.11658	6.2
148.04785	8.0
149.04999	2.9
149.09624	51.3
149.13268	15.3
149.14366	1.2
151.11183	17.3
153.09099	5.0
158.10995	1.8
159.02937	1.9
161.09735	1.4
162.59587	1.1
163.11238	2.1
163.14818	24.9
173.13272	16.3
183.60112	0.9
185.16574	1.3
191.14311	58.3
209.15370	90.0
210.15718	1.4
213.15942	1.6
223.21344	1.1
227.16518	4.6
231.05069	1.1
240.23289	1.3
253.22736	1.2
254.08893	0.9
263.14258	2.4
275.24823	1.8
311.26724	1.1
315.14978	1.0
327.26318	6.3
328.26645	10.5
328.29669	1.0
329.27066	13.5
335.09552	4.2
425.26572	1.3
457.29840	3.9
475.22549	15.0
475.32205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06834	0.4
55.01871	0.8
55.05507	1.5
56.96564	0.6
57.03428	0.6
57.07081	0.5
61.02938	0.7
65.03923	0.5
65.63905	0.5
67.05492	1.2
69.03443	3.4
69.07061	1.5
70.06588	2.0
70.50681	0.9
71.04989	1.7
72.08161	1.5
79.05495	1.5
80.05007	0.6
81.03414	2.0
81.07069	2.9
82.06596	0.6
83.04983	0.4
83.08620	1.3
84.04507	0.5
84.08157	1.4
85.02908	4.9
85.06518	1.0
86.09704	3.8
87.00806	2.5
91.05476	2.4
93.07065	2.5
94.06575	0.9
95.04961	4.5
95.08607	2.3
96.08144	0.5
97.02913	2.0
97.06532	3.9
98.97594	0.5
99.04465	1.4
99.08070	0.7
105.01867	2.2
105.07034	3.0
107.08597	3.2
109.02899	1.7
109.06528	5.8
109.10175	2.2
110.09673	1.0
111.08099	0.7
115.07560	0.7
119.04900	0.9
119.08595	2.1
120.08124	0.8
121.06522	0.7
121.10141	4.1
123.08108	1.6
123.11709	0.7
125.06017	0.5
127.03888	2.9
129.07086	0.4
131.08597	2.0
131.45235	0.5
133.10144	9.0
135.08043	1.6
135.11702	0.7
137.05930	0.5
137.09593	0.9
138.09106	0.6
139.11156	0.5
145.05066	0.9
145.10167	1.0
147.04404	4.7
147.11688	3.9
148.04759	1.2
149.09639	1.6
149.13313	1.7
151.11172	1.4
153.09099	2.6
158.10916	0.8
159.11594	0.4
163.11223	0.5
163.14822	1.4
165.12790	0.7
173.13269	5.5
175.14871	0.7
185.16389	0.6
191.14297	9.7
206.70093	0.4
209.15364	14.8
213.16101	0.6
223.21680	0.5
227.16432	9.2
247.12843	0.5
263.14383	0.9
287.56131	0.4
327.26367	0.8
328.26694	1.0
329.27481	1.4
364.66830	0.5
457.30750	1.0
474.30716	0.4
475.32541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01864	0.6
55.05506	1.0
56.96559	0.5
57.03423	0.5
61.02922	1.2
65.03610	0.4
65.03943	5.5
67.05516	1.8
67.05822	0.3
68.99789	1.2
69.03434	1.7
69.07079	1.9
69.35414	1.4
69.35840	1.0
70.06590	0.4
71.04991	0.6
73.02896	0.3
79.05480	1.5
81.03413	2.2
81.07049	2.0
83.04971	0.3
83.08609	0.7
84.08150	0.4
85.02904	3.2
85.06557	0.5
86.09738	0.4
87.00842	1.8
91.05483	100.0
92.05828	0.6
93.03412	3.4
93.07053	1.8
94.06549	0.3
95.04971	0.9
95.08600	2.3
97.02892	2.7
97.06529	0.9
97.10186	0.4
98.97569	0.6
99.04513	0.5
99.08157	0.4
99.73896	0.3
103.03948	0.8
103.05446	0.5
105.01846	0.5
105.03399	0.5
105.07027	4.8
107.04978	0.9
107.08620	0.9
109.02875	1.0
109.06512	0.6
109.10162	1.3
110.09729	0.5
111.08060	0.3
115.05468	0.9
117.07032	0.4
119.04945	1.7
119.08601	0.8
121.02906	0.4
121.06499	0.4
121.10168	0.9
123.08044	0.5
125.09602	0.5
127.03922	1.2
129.01859	1.5
129.07014	0.7
131.04951	0.7
131.08583	0.6
133.06468	0.7
133.10129	0.6
135.08069	0.4
135.11739	1.1
137.02509	0.3
137.06033	0.4
143.04942	0.6
145.04999	0.4
145.06512	0.7
145.10114	0.5
147.02919	0.3
147.03281	0.4
147.04436	3.0
147.08081	0.3
147.11694	0.4
148.04774	0.6
149.02377	1.8
149.09618	0.4
151.07527	2.1
153.12727	0.3
155.04926	0.4
157.06508	0.3
159.04439	0.6
161.02376	0.8
161.05992	1.0
163.11221	0.4
165.07037	0.5
165.09152	0.5
167.03397	2.3
173.01096	0.3
173.02408	1.3
175.03888	1.6
178.07855	0.9
179.03342	2.3
179.08618	0.6
181.01299	0.6
186.03189	0.4
187.03970	1.1
189.03995	0.5
189.05559	0.6
189.09192	0.4
191.03415	5.6
191.08585	0.7
191.10609	0.4
191.17987	0.9
193.12215	0.4
197.04437	0.6
201.05499	1.2
203.03345	2.5
203.10992	0.3
205.04971	0.7
209.19070	1.3
215.03372	2.4
217.05031	0.9
219.06525	0.5
221.04399	0.7
221.09535	0.8
223.07558	0.3
227.03433	0.6
227.07019	0.6
227.20099	1.6
229.04974	0.4
233.04446	6.4
239.07059	3.6
244.03709	0.6
245.04486	2.5
251.06924	1.5
257.04474	2.6
257.08075	4.2
262.04837	0.5
263.05493	1.0
265.08685	1.3
269.08136	1.7
275.05573	1.3
279.10117	2.1
281.08093	1.4
289.08679	0.7
293.08072	14.0
293.11398	0.7
297.07553	0.3
305.08087	0.6
307.09708	0.9
311.09137	9.2
317.08072	2.8
323.09073	3.2
327.26709	0.7
328.26865	1.0
329.27386	0.5
331.04443	0.4
335.09140	21.6
343.04602	0.5
353.10202	9.1
361.05795	0.6
371.11057	0.7
383.22388	0.7
409.09348	1.2
421.09201	1.7
439.10284	6.7
457.11298	3.3
457.25302	0.7
474.30463	1.2
475.14774	0.6
475.20700	0.9
475.26740	1.6
475.32675	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	473.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01869	0.9
55.05269	1.0
55.05515	12.8
55.37764	0.8
56.05021	1.3
57.03436	1.3
57.07084	7.0
60.04525	1.5
60.82311	0.8
61.02920	0.8
62.63384	0.7
65.03922	1.1
67.05177	1.3
67.05508	20.5
67.05865	0.7
69.03437	5.2
69.07068	31.1
69.80640	3.5
70.06581	2.4
71.04979	0.8
71.08616	3.4
79.05500	9.5
80.05028	4.0
81.03425	2.5
81.07061	53.1
82.06559	2.3
82.93429	0.7
83.04984	2.0
83.08626	17.7
84.08129	3.2
85.02908	10.5
85.06570	3.7
86.09669	0.9
91.05472	9.4
93.07043	14.4
94.06582	5.2
95.04944	2.5
95.08611	50.1
96.08118	3.0
97.02871	2.6
97.06537	2.2
97.08924	7.9
97.09464	1.1
97.09575	0.9
97.10178	10.1
98.09698	1.1
98.21407	1.1
98.97555	1.0
99.04479	0.8
99.08084	3.8
105.07029	6.1
107.08588	11.4
108.08138	1.7
109.02841	1.6
109.10162	30.5
110.09686	11.1
111.04431	1.1
111.08069	3.5
111.11728	9.3
116.98674	1.0
117.07015	1.0
119.04948	12.5
119.08614	5.4
120.08115	1.9
121.06490	1.0
121.10154	7.2
122.09660	1.2
123.08115	1.0
123.11713	19.1
124.11233	1.7
124.12104	0.9
125.09583	1.8
125.13269	6.2
127.03932	3.4
131.04819	0.9
131.08560	2.5
133.10162	4.7
134.09622	1.4
135.08040	3.2
135.11696	4.9
137.09567	0.9
137.13258	15.9
139.14795	1.1
145.04973	2.8
145.10115	1.9
147.04414	45.1
147.07994	1.5
147.11679	2.9
148.04752	1.0
149.09657	1.2
149.12094	0.6
149.13252	11.8
151.14839	5.6
155.14278	1.3
157.10130	1.5
159.11682	2.0
160.11154	0.8
161.09572	1.4
161.13235	1.3
163.03973	1.2
163.11195	1.3
163.14812	3.0
165.09163	1.0
165.16388	2.8
167.14319	4.6
169.10118	1.1
169.15863	1.2
171.11638	1.0
173.13246	0.9
175.14839	2.1
176.14349	2.4
177.09132	1.1
177.16382	2.2
178.14505	0.8
178.15889	4.6
179.17946	1.9
185.13309	1.0
187.14825	1.0
189.16345	1.4
191.17851	1.0
192.17323	0.8
193.19588	1.9
205.19530	1.4
206.19177	1.1
208.20583	1.8
209.18874	0.8
211.14807	0.9
215.05049	0.9
217.15918	1.1
219.21091	1.7
221.15492	0.9
221.20087	1.2
223.21761	10.5
224.20126	0.9
238.21599	1.9
250.21597	2.4
253.22745	7.9
256.20505	1.3
259.06061	0.7
261.23294	8.5
263.24838	1.2
273.23233	9.7
274.21689	2.0
275.27393	4.2
291.24213	2.5
292.22626	1.0
293.28372	11.9
309.25397	5.9
327.26425	33.1
409.30798	3.0
427.31903	3.1
437.30246	1.1
453.59018	0.8
455.28989	7.0
473.14859	7.0
473.30081	100.0
474.30457	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89275	0.6
53.03943	1.2
55.01879	1.2
55.05501	2.7
56.05026	1.5
56.96555	1.1
57.07050	0.8
60.04518	1.4
65.03945	0.9
67.05509	7.4
69.03425	2.2
69.07064	3.7
70.06581	2.5
71.04989	0.7
71.56716	1.0
77.34048	0.7
77.61349	0.6
79.05487	5.9
80.05038	3.5
81.03421	2.0
81.07057	11.2
82.06584	2.4
83.04984	1.7
83.08641	1.8
84.04480	0.7
84.08146	3.0
85.02922	1.2
85.06561	1.0
91.05477	9.8
93.07061	9.0
94.06577	3.9
95.04990	1.5
95.08613	12.2
96.08136	2.1
97.06549	3.8
97.08925	6.7
97.10172	0.8
98.09696	2.0
105.07042	14.0
106.06580	1.4
107.04930	1.1
107.08601	9.3
108.08133	1.1
109.06550	1.9
109.10177	5.0
110.09686	11.3
111.08086	2.0
115.05403	0.7
115.99403	0.7
117.07033	2.6
119.04940	12.3
119.08579	16.3
119.66645	0.7
120.08149	1.8
121.06529	3.7
121.10142	7.1
122.09672	1.3
123.08071	4.0
123.11709	1.6
124.11226	1.5
129.06989	1.2
131.08565	7.6
133.06577	0.8
133.10141	9.8
134.09648	1.4
135.08061	2.2
135.11719	3.2
136.11235	1.6
137.09647	3.1
143.08583	2.5
145.10143	11.1
147.04416	43.9
147.08057	2.1
147.11705	8.4
148.11250	1.5
149.09639	1.2
149.13246	3.4
150.12862	1.0
151.11234	1.1
155.08530	1.0
156.09361	0.8
157.03745	0.8
157.10178	4.0
158.10916	0.9
159.11694	6.6
161.09657	4.1
161.13275	5.3
163.11142	1.3
163.14883	2.4
165.09090	1.7
167.08501	0.8
169.10117	0.9
171.11699	3.1
173.09608	0.8
173.13271	9.3
175.11220	2.6
175.14857	7.7
176.14388	1.4
177.12758	1.9
177.16428	1.8
178.15947	3.1
179.14323	1.1
183.11630	1.0
185.13268	3.1
187.14815	6.7
189.12822	2.7
189.16357	5.1
191.14345	2.9
192.17505	0.7
194.19077	1.1
195.35283	0.8
197.13179	1.0
199.14862	2.6
201.12817	1.0
201.16396	2.0
203.14334	2.9
203.18176	0.8
205.15961	2.5
206.19046	1.0
208.20619	1.2
211.14867	1.1
213.16389	1.4
215.14362	1.1
217.15930	4.4
217.19731	0.8
219.13770	1.5
219.17403	1.0
221.13420	0.9
221.15404	5.0
223.21744	7.9
229.15585	0.8
235.16907	6.5
238.21764	1.5
249.18431	1.0
250.21667	1.4
253.22745	7.2
256.20551	1.1
261.23334	7.1
263.20105	2.4
263.24731	1.3
273.23306	11.2
291.24536	3.4
309.25290	4.8
314.29053	0.9
327.26413	35.3
328.27087	0.8
373.28641	1.3
379.29797	1.0
391.29724	3.4
397.30951	1.1
409.31088	19.7
410.31808	0.9
419.29456	1.2
427.32144	14.9
437.30453	5.2
455.29663	5.7
462.98129	0.9
473.15146	4.7
473.24310	4.6
473.30145	100.0
474.30542	1.7
499.01282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11037	1.0
55.05509	9.0
57.03436	2.7
57.07064	3.7
59.04982	1.1
65.70363	0.9
67.05509	5.3
69.07076	12.1
69.56039	3.9
69.56455	2.5
71.01112	0.9
71.08619	2.1
79.05488	2.8
81.07080	5.9
83.08635	7.0
91.05478	2.7
93.07053	4.6
95.08620	6.8
97.10162	4.6
105.07011	1.5
107.08576	4.2
108.28641	0.9
109.10133	2.6
111.08054	1.4
111.11740	1.1
119.04949	0.9
119.08610	1.5
121.10134	2.3
134.98192	39.0
135.11717	1.0
147.04404	4.1
155.85594	1.2
209.01860	2.3
326.22778	0.9
327.26425	5.8
339.29025	12.0
361.27078	3.8
379.28082	1.6
455.25055	1.2
473.26294	100.0
473.34543	5.1
474.26260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	1.8
65.03928	0.8
69.87689	1.3
69.88094	0.7
70.06587	0.4
72.78094	0.4
74.75902	0.4
80.05047	0.5
82.06562	0.9
84.08131	0.9
91.05482	6.8
94.06557	1.6
94.45333	0.3
95.08613	0.6
97.08906	2.6
98.09710	0.5
104.39420	0.3
106.06584	0.5
108.08117	0.5
110.09702	2.8
119.04947	20.3
122.09615	0.4
124.11266	0.4
134.09660	0.7
136.11237	0.5
147.04413	59.3
151.24866	0.4
176.63672	0.3
178.15941	1.3
192.17610	0.6
208.20694	0.7
223.21660	1.0
236.19939	0.6
238.21600	2.1
250.21654	2.2
252.32948	0.4
253.22755	4.3
261.23276	4.2
268.22717	0.7
273.23193	1.6
279.24359	0.6
291.24295	1.0
294.90817	0.4
309.25348	0.9
327.26419	100.0
328.26749	0.9
352.03510	0.3
381.33621	0.3
409.93039	0.3
409.98553	0.4
420.29630	0.5
437.53491	0.4
455.29126	3.2
473.30139	61.8
474.30460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.48713	0.7
55.05259	1.3
55.05512	15.8
56.72305	0.7
57.03439	7.5
57.07078	8.1
63.81543	0.7
67.05505	13.4
69.07069	25.8
69.44382	0.8
69.44738	5.4
71.04971	0.7
71.08623	3.0
79.05496	6.9
81.07061	15.7
83.08618	15.3
83.24583	0.8
85.02934	0.7
85.10188	1.5
91.05486	2.0
93.05967	0.7
93.07046	7.2
95.08609	12.7
96.59630	0.7
97.06516	1.8
97.10179	8.2
105.07021	1.5
107.08610	5.3
109.10156	5.6
111.08073	1.5
111.11699	2.3
119.04948	1.3
121.10146	7.5
123.11685	1.8
125.09650	1.5
134.98190	100.0
135.11713	5.8
137.13226	1.2
139.11082	0.8
144.11545	0.8
147.04387	4.7
147.11681	0.8
149.13260	1.8
163.14815	1.2
165.16255	0.8
176.00835	3.7
179.00861	0.7
195.34132	0.7
209.01852	2.1
265.31787	0.8
282.23523	0.7
321.27084	0.7
327.26419	5.7
339.28949	42.1
361.27246	6.6
455.29257	1.1
455.34723	1.4
464.05249	0.7
473.26236	94.8
473.31525	3.5
474.26736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
60.04528	1.3
64.17757	1.3
67.05504	11.5
69.03429	4.2
69.07045	1.7
69.09323	1.3
70.06592	3.8
70.82086	3.8
72.08147	1.6
79.05489	2.4
80.05023	4.6
81.03424	3.1
81.07073	2.7
82.06603	2.1
84.08157	3.2
85.02915	7.3
85.06552	5.5
85.19608	1.1
86.09708	3.7
91.05495	5.5
93.07040	4.6
94.06584	4.3
95.04923	1.6
95.08615	50.3
96.08167	2.4
97.08910	8.0
98.09698	2.0
104.11954	1.3
105.01855	3.3
105.07026	4.1
107.08583	4.9
109.02868	1.6
109.10194	1.7
110.09690	11.7
113.06003	7.3
119.04967	9.9
119.08596	8.8
121.10197	3.5
123.08096	15.7
124.11224	1.8
127.03922	2.4
133.10143	1.9
134.09645	1.4
135.11714	8.4
136.11140	1.4
137.03773	1.2
137.09688	1.2
145.04955	2.3
147.04416	38.4
147.08064	1.6
147.11716	3.6
149.09639	15.8
151.07504	1.6
151.14816	1.9
161.13268	7.4
163.11224	3.6
165.12762	4.2
174.10292	1.6
176.14377	1.9
178.15947	4.5
179.14360	1.6
189.12770	8.0
194.19014	1.4
205.51140	1.4
207.13818	37.2
223.21761	9.4
250.21735	1.7
253.22749	3.6
257.27499	1.3
261.23248	8.6
266.06042	1.5
273.23254	10.5
277.35822	1.4
291.24374	2.1
309.25372	3.9
327.26404	23.9
359.07874	1.3
422.75195	1.4
455.29099	2.0
472.54739	1.3
473.14566	3.2
473.24097	3.9
473.30136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91771	0.8
53.03938	1.7
55.05505	3.8
55.26553	0.8
57.07069	2.4
60.04525	1.0
65.03939	1.6
67.05505	20.7
69.03433	5.0
69.07063	1.5
69.53444	4.9
69.53862	1.6
70.06579	2.8
71.04992	1.9
75.81947	0.9
79.05509	2.1
79.31326	0.9
80.05020	4.3
81.03441	1.6
81.07063	4.6
82.06577	2.2
83.05013	1.3
84.08120	3.2
85.02906	8.2
85.06547	8.7
87.00821	3.7
91.05471	7.6
93.07027	5.7
94.06574	6.6
95.04983	1.9
95.08611	68.2
96.08126	3.7
96.08932	0.8
97.02898	3.7
97.08915	7.9
98.09700	2.5
99.77056	0.9
105.01855	5.8
105.07038	5.4
107.08595	6.5
109.02887	2.7
109.06528	1.2
109.10135	2.1
110.09013	1.2
110.09689	12.7
113.05990	10.8
119.04936	9.8
119.08580	12.1
121.10163	6.0
122.09660	1.5
123.08073	22.6
123.11761	1.4
124.11246	2.5
127.03918	6.1
131.08511	1.8
133.10141	1.5
134.09674	1.2
135.11690	11.5
137.09619	2.0
145.04980	1.9
147.04424	35.4
147.11696	4.0
148.11232	1.2
149.09622	24.8
151.07571	1.5
151.14848	4.2
155.13055	1.3
159.02902	1.6
161.13281	9.0
163.11165	6.8
165.12775	5.0
171.11699	1.0
176.14386	2.7
178.15868	3.0
179.14343	2.5
189.12733	10.7
192.17488	1.5
194.19005	1.5
207.13806	54.8
223.21713	12.5
225.14908	1.9
237.15508	1.1
250.21674	2.0
253.22777	3.9
261.23248	10.0
263.24777	1.4
273.23282	13.0
274.21875	1.6
291.24271	3.6
309.25375	5.2
327.26434	19.8
455.29321	1.6
473.24454	3.6
473.30127	100.0
474.30548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.272
Annotation	Stigmatellin X
Peak:m/z	Relative Intensity
55.01854	0.4
55.05518	3.2
57.03427	1.0
57.07088	0.6
65.80679	0.4
66.87869	0.4
67.05177	0.6
67.05511	7.0
69.07071	2.7
71.01246	0.8
74.09383	0.4
75.18494	0.4
79.05508	2.8
81.03421	1.2
81.07066	6.2
81.94117	0.4
83.04997	0.5
83.08628	2.2
85.02924	0.5
87.04514	0.4
91.05478	1.4
93.07038	2.0
95.05006	0.5
95.08623	4.0
97.02874	0.5
97.06582	0.5
97.10171	1.3
105.07024	0.8
107.08570	1.0
109.10181	3.3
117.07056	0.4
119.08603	1.0
121.10144	0.9
123.11741	0.9
125.09646	0.7
133.10136	1.0
134.98196	12.7
134.99164	0.8
135.11708	0.5
147.08067	0.5
150.77899	0.4
157.10141	0.6
162.71597	0.4
173.11818	2.0
195.13872	0.6
221.17722	0.4
307.11905	0.6
313.73410	0.4
337.27350	3.9
359.25638	1.9
446.23444	0.5
471.27264	100.0
472.27554	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	472.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24581	4.6
55.01860	5.3
55.05509	33.7
57.03435	6.9
59.04994	8.9
67.05505	69.1
69.07064	19.1
71.04958	6.1
71.57381	7.1
71.57732	7.7
79.05505	26.0
81.03433	28.2
81.07062	47.1
83.04965	16.4
83.08623	25.2
85.02891	13.9
87.04456	10.7
91.05468	21.4
93.07034	22.8
95.04944	14.0
95.08591	18.7
97.06533	14.3
97.10168	16.2
105.07014	11.0
107.08584	18.0
109.06486	6.2
109.09563	5.9
109.10172	57.9
111.08073	12.4
119.08575	16.9
121.10160	9.3
125.09618	19.4
131.08553	6.7
133.10101	5.8
134.98166	14.6
137.09637	6.7
143.10536	5.7
145.10063	7.8
147.11627	8.5
149.60439	5.1
155.10637	11.2
157.10150	5.8
163.11111	7.3
173.09596	5.9
173.11755	58.8
187.13266	16.7
193.12212	20.4
209.11761	12.3
308.87891	5.2
327.26837	4.4
332.63269	5.6
338.27753	5.9
472.25189	100.0
472.33896	9.7
473.34854	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	470.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14261	1.3
51.19847	1.2
53.03951	2.7
55.01870	1.4
55.05515	13.4
57.03428	2.2
64.98385	1.3
67.05508	47.6
69.07069	13.3
71.05006	3.7
79.05497	22.0
79.47202	1.2
81.03418	3.3
81.07059	61.0
83.04989	5.0
83.08627	12.4
85.06535	4.6
87.04468	5.6
89.06019	3.7
91.05483	20.4
93.07050	43.9
95.04993	4.5
95.08053	1.8
95.08617	21.1
97.06541	11.3
97.10178	2.0
98.21548	2.3
99.08119	3.2
105.07041	11.5
107.08602	21.3
109.06486	3.1
109.10165	4.6
111.08085	5.6
117.07018	11.2
118.25180	1.2
119.08569	9.2
121.06526	3.4
121.10159	12.4
123.08105	1.4
123.11723	3.7
129.07016	3.2
130.20209	1.2
131.08577	17.5
133.10138	19.0
135.08119	1.7
135.11702	15.1
143.08542	2.3
145.10132	4.6
147.11664	2.7
149.09557	1.9
149.13268	42.2
151.11241	2.0
154.94165	2.9
155.08559	2.1
157.10051	1.8
159.11707	22.1
167.14325	2.6
168.38272	1.3
171.11708	1.7
172.95224	1.5
177.12775	23.8
177.14291	2.5
195.13812	100.0
209.15388	5.5
213.14850	25.8
224.69032	1.2
227.16422	93.1
247.14319	1.3
261.58356	1.9
313.26727	1.9
351.37457	1.6
353.24829	4.9
371.25845	5.0
403.28238	8.6
417.30005	5.8
447.17999	5.0
470.22672	2.0
471.24823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01864	1.5
55.05512	10.8
57.03437	2.4
57.07087	2.2
59.52821	1.2
59.89463	1.3
63.77142	1.2
65.03928	1.8
65.35346	1.2
67.05508	41.7
68.85529	1.2
69.07071	16.0
71.04987	3.6
71.57382	2.0
78.83678	1.4
79.05502	25.1
81.03384	1.8
81.07063	64.0
83.04984	3.2
83.08629	11.2
85.06550	4.5
91.05487	22.7
93.07048	43.8
93.07632	2.7
95.04967	6.0
95.08617	20.4
97.06541	7.6
99.08078	2.8
105.07050	12.3
107.08603	23.4
109.06520	1.7
109.10159	5.4
111.08095	5.5
112.63577	1.3
113.00070	1.4
117.07012	14.9
119.08613	9.6
121.06486	3.0
121.10139	12.0
123.11744	2.3
131.08578	12.6
132.85944	1.5
133.10150	19.8
134.98135	1.9
135.08051	2.3
135.11700	16.4
136.93120	3.6
138.83043	1.5
141.06946	1.5
145.10106	2.2
147.11710	2.9
149.13271	41.4
151.11192	2.8
154.94191	4.2
155.08513	1.5
157.10185	1.9
159.11700	26.6
159.13016	1.7
167.14363	1.4
169.10104	1.8
172.72002	1.3
172.95293	7.3
177.12773	24.0
190.96310	2.6
195.13824	96.7
209.15353	5.9
210.15033	1.4
210.96883	2.5
213.14854	31.9
227.16434	100.0
228.97839	3.6
230.99268	1.5
313.26340	2.2
335.23663	1.4
346.22507	1.6
353.24542	2.2
363.17328	1.4
371.25565	2.7
397.05008	1.5
403.28452	4.5
417.29886	7.1
447.18369	9.0
471.24640	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	470.2751
Annotation	Circinasine F
Peak:m/z	Relative Intensity
51.57192	0.4
53.03951	1.0
55.01882	1.5
55.05521	2.7
56.05039	0.6
56.96566	1.0
57.03442	1.0
60.04516	0.5
61.02956	0.5
65.03927	0.7
67.05508	4.2
68.05022	1.2
69.03424	3.1
69.07079	2.9
69.45545	1.0
69.45965	2.2
70.06589	1.3
71.04987	0.9
73.02917	0.6
79.05510	3.8
80.05018	1.6
81.03419	1.7
81.07065	4.8
82.06585	1.7
83.04568	0.5
83.04974	2.9
83.08604	0.5
84.04509	2.2
84.08146	1.0
85.02899	1.2
85.06543	0.8
86.06090	1.1
89.73103	0.4
91.05494	1.9
93.07055	3.5
94.06583	3.3
95.04967	2.4
95.08618	2.4
96.04479	2.2
96.08123	0.7
97.02891	1.0
97.06532	3.6
98.06100	0.8
98.06868	0.9
98.97629	0.5
99.04427	0.9
100.03980	0.7
105.07027	2.7
106.06551	1.0
107.04946	0.8
107.08606	1.8
108.08116	1.0
109.10185	0.8
110.06059	3.2
111.04472	1.0
111.08076	1.5
112.07609	1.5
114.05524	0.5
117.07018	0.7
118.06527	0.8
119.08587	2.2
120.08109	1.4
121.06480	0.5
121.10155	0.9
122.06057	2.1
122.09654	0.8
123.04478	0.6
124.03920	0.4
124.07591	1.4
126.05514	1.0
127.03940	0.8
128.03426	0.5
128.07104	0.7
131.08595	0.8
132.08086	1.2
133.10141	1.0
134.06038	0.9
134.09677	1.0
135.08116	0.6
135.11707	0.8
136.07549	1.2
136.11221	0.6
138.05519	0.8
140.07065	1.2
144.08128	0.5
145.02823	0.7
145.08963	0.5
145.10187	0.7
146.05939	0.4
146.09607	0.5
147.04372	0.5
147.11760	0.7
148.07556	0.9
150.05493	0.9
150.09120	0.5
152.07062	0.7
156.06509	0.5
157.10175	0.5
159.05305	0.7
159.08018	0.6
159.11693	0.6
160.07581	1.0
160.11134	0.6
161.09651	0.7
161.13271	0.4
162.05511	0.7
162.09213	0.6
163.03912	2.1
164.04221	0.5
164.07043	1.1
166.05154	0.4
168.06589	1.4
172.06158	1.0
173.02377	0.8
173.13332	0.6
174.02663	0.7
174.09293	0.6
176.07054	0.4
180.06676	0.5
184.06052	1.2
186.07648	1.2
186.09224	0.6
194.08243	0.7
212.05540	0.4
215.07005	1.1
216.07278	0.5
222.07562	0.5
246.14539	0.4
254.86185	0.4
259.09723	2.0
260.10034	3.1
274.21661	0.7
282.24881	0.4
288.19626	0.5
292.22754	0.6
314.21024	0.5
316.22647	1.0
328.22678	0.7
330.23889	0.5
332.22311	0.8
340.49991	0.4
342.24335	0.9
348.25159	0.6
350.23422	0.7
358.23862	0.7
360.21527	0.5
360.25470	0.6
366.22766	1.5
370.23807	1.3
372.20404	0.5
372.25143	0.6
378.26514	0.7
388.24902	1.7
390.26419	1.1
394.22211	1.4
396.19827	0.5
396.27216	1.1
398.23123	1.6
406.26239	2.3
416.24265	3.1
424.27139	5.8
434.25427	7.3
452.26486	100.0
453.26682	1.9
470.27588	15.9
471.22043	4.4
471.28027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2751
Annotation	Linearilin
Peak:m/z	Relative Intensity
53.03942	2.0
55.00999	0.7
55.01869	2.9
55.05511	8.0
56.05052	1.8
56.96578	1.1
57.03437	2.0
58.06586	0.9
58.33991	0.7
60.04527	5.2
67.05173	0.9
67.05507	10.7
68.05024	3.2
69.03433	10.0
69.07067	3.8
70.02972	4.5
70.06590	4.8
70.56354	2.2
71.04990	6.4
72.04512	2.2
79.05497	8.9
80.05026	9.2
81.03414	5.5
81.07058	11.9
82.06580	6.6
83.05002	3.7
83.08603	1.1
84.04486	1.6
84.08141	2.1
85.02903	1.1
85.06528	1.3
86.06078	2.1
87.91956	0.7
91.05467	5.6
92.64019	0.7
93.07051	7.8
94.06574	9.7
95.04949	2.6
95.08620	7.0
96.04487	2.1
96.08134	2.1
97.02882	5.1
97.06516	3.9
98.06039	2.4
98.97588	1.4
99.04459	2.2
100.04002	1.7
100.07606	1.8
101.06054	0.8
105.07037	5.1
106.06561	1.2
107.04940	1.4
107.08616	4.1
108.08109	2.0
109.06529	2.1
109.10151	2.2
110.06035	4.4
111.08100	4.3
112.07610	3.0
117.07036	1.8
119.04982	1.2
119.08575	3.4
120.08104	2.1
121.06474	1.2
121.10168	2.5
122.05997	1.7
122.09682	1.0
124.07574	1.8
125.09676	0.7
128.07082	2.8
129.06978	0.8
131.08572	2.6
132.06609	1.1
132.08069	0.9
133.10149	1.7
134.09668	1.5
135.08032	0.9
135.11742	1.6
136.07617	1.3
137.05905	0.8
138.05505	1.4
138.09175	1.0
140.07059	2.3
143.08572	0.9
145.10091	1.7
147.04434	0.9
147.11652	1.1
148.07584	0.9
149.13290	1.0
150.09120	1.5
157.10097	0.9
159.11726	1.5
179.14404	1.0
180.73534	0.7
184.09700	0.9
202.10719	1.3
212.09250	1.6
218.15482	0.8
224.20042	1.4
236.20166	2.9
237.98589	0.7
244.20630	1.0
251.20102	0.8
254.21211	0.9
262.21622	2.1
264.23187	1.1
270.20706	0.8
274.21591	4.2
282.20673	2.1
292.22751	3.0
296.22354	1.3
300.21735	1.2
305.10730	1.7
310.23782	1.1
320.22064	1.7
336.21677	1.8
338.23212	4.4
356.24353	2.3
360.25620	0.8
370.23874	0.8
374.25461	1.8
378.26385	1.1
384.23810	21.1
388.24976	2.7
396.27628	1.6
406.25882	13.5
408.27557	0.8
424.26910	11.1
434.25330	2.4
442.28027	41.9
452.26465	74.4
453.26901	1.9
470.27512	100.0
471.27811	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	470.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01862	3.6
55.05519	7.2
55.87901	0.6
56.05026	2.2
56.96553	1.3
57.03431	1.3
57.07068	0.8
59.00740	0.5
60.04534	4.6
65.03938	0.9
67.04259	0.7
67.05173	1.0
67.05512	13.1
68.05036	3.3
69.03436	9.5
69.07075	4.0
69.79153	3.1
70.02969	3.5
70.06597	4.1
71.04998	6.7
72.04530	1.7
79.05495	8.8
80.05028	8.9
81.03419	5.9
81.07061	11.5
82.06593	6.7
83.04992	4.2
83.08618	2.2
84.04513	2.1
84.08150	3.3
85.02898	1.1
85.06546	2.2
86.06058	1.0
87.04444	0.6
88.17975	0.5
90.27277	0.6
91.05495	5.7
92.05000	0.7
93.07057	7.7
94.06573	10.1
95.04974	3.2
95.08043	0.9
95.08606	7.4
96.04492	2.0
96.08134	2.8
97.02905	5.7
97.06525	2.6
98.06053	2.4
99.04435	1.6
100.03974	3.1
100.07619	1.1
105.07037	5.4
106.06561	2.0
107.04948	1.6
107.08593	4.0
107.15465	0.8
108.08106	2.2
109.06558	1.4
109.10175	2.8
110.06046	6.3
110.09676	0.8
111.08083	3.2
112.04005	0.6
112.07609	2.0
117.07023	2.3
119.08591	2.7
120.08125	1.9
121.06504	1.1
121.10161	2.7
122.06036	2.1
122.09693	1.2
123.08051	0.6
123.11728	0.9
124.07608	2.1
124.11241	0.7
125.09641	0.8
128.07077	2.6
129.06998	0.6
130.04984	0.9
131.08575	1.9
132.08115	0.8
133.10136	2.5
134.09695	1.8
135.11743	1.1
136.07597	0.9
136.11099	0.8
138.05513	1.9
138.12794	0.8
140.07077	2.2
143.00183	0.6
145.10123	1.8
147.03181	0.6
147.11760	1.2
148.07607	0.9
150.09167	1.3
159.11737	1.7
161.13261	0.8
162.09183	0.8
165.12788	0.7
177.12706	0.6
179.14192	0.8
184.09688	1.6
202.10838	1.0
208.17050	1.0
210.31114	0.6
212.09138	1.0
224.08073	0.8
224.20096	1.6
236.16386	1.3
236.20096	4.1
239.20195	0.6
244.20479	0.6
250.21767	1.2
251.20108	0.6
253.68938	0.5
254.21181	2.0
262.21686	1.4
264.19736	0.8
274.21719	3.0
282.17535	0.6
282.20734	1.8
290.21506	0.6
292.22586	3.2
296.22357	1.4
300.21692	1.3
305.10687	1.4
308.22186	0.7
310.23868	1.0
314.25183	0.7
336.21799	2.1
338.23285	3.7
342.23730	0.7
356.24301	2.0
358.23895	0.9
360.25418	1.0
370.23782	2.4
374.25369	1.2
378.26501	1.1
384.23843	20.8
385.24094	0.7
388.24722	3.8
396.27475	1.7
406.25870	11.4
424.27057	8.9
434.25555	2.2
442.19016	1.0
442.28058	43.2
452.26483	74.4
453.26794	1.5
470.27527	100.0
471.27582	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	469.3316
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03942	2.3
55.01871	2.0
55.05515	17.3
56.96553	1.8
57.03431	3.2
57.07071	4.8
65.03936	2.2
66.97832	1.6
67.05507	20.3
69.03421	5.2
69.07071	16.9
69.91185	7.8
74.09194	1.5
79.05495	20.6
81.03403	2.3
81.07059	40.8
83.04977	11.3
83.08623	14.0
84.08113	1.7
85.02908	2.4
91.05482	26.3
91.06020	2.5
93.07045	40.7
95.04976	6.3
95.08611	60.0
97.06526	12.5
97.10160	2.4
98.20764	1.9
101.49331	1.5
105.07032	75.0
107.08598	56.4
109.02846	1.8
109.06547	6.4
109.10163	31.0
109.23918	1.7
111.08092	9.0
113.09716	2.2
115.05470	1.7
117.07014	11.5
119.08582	90.4
121.06513	8.1
121.10147	47.7
123.08098	13.0
123.11697	13.5
125.09673	4.8
128.06230	3.4
129.07004	3.9
130.07837	1.9
131.08557	34.1
133.06554	1.9
133.10135	76.0
135.08060	13.3
135.11684	19.9
136.18538	1.7
137.09647	6.0
137.13258	2.5
142.07794	3.8
143.08545	13.3
144.09293	3.7
145.10129	56.5
147.08057	6.0
147.11696	60.0
149.09637	11.6
149.13261	15.7
151.11250	3.6
153.09142	4.7
155.08667	2.1
156.09277	1.8
157.10138	23.8
158.10925	2.5
159.11694	46.5
161.09627	13.1
161.13261	30.9
163.11180	9.0
163.14807	9.2
165.09161	3.3
165.12810	2.7
169.10237	3.2
170.10922	3.2
171.11740	15.4
173.09679	4.8
173.13269	42.1
175.11214	11.9
175.14833	85.0
177.12720	8.0
177.16359	13.8
179.10645	1.9
183.11702	6.7
185.13274	17.1
187.11220	3.1
187.14844	26.0
189.12762	15.5
189.16391	20.1
191.14319	15.7
191.18007	2.4
193.12280	5.1
193.15907	6.8
195.11763	2.1
197.13319	6.9
199.14827	22.8
201.12735	7.7
201.16357	17.5
203.14305	22.6
203.17923	13.9
205.15910	8.7
209.13368	2.6
211.14850	6.6
213.12828	2.1
213.16382	13.7
215.14429	7.1
215.17963	10.0
217.15903	14.7
219.13824	5.2
219.17393	7.9
221.13353	3.7
221.15402	33.2
223.15033	2.6
225.16328	3.9
227.14445	1.9
227.18015	2.3
229.15863	7.5
231.17442	37.1
233.15521	4.9
233.19061	5.2
234.82161	1.6
235.14934	2.0
235.17056	6.5
237.14729	2.7
239.17998	2.5
243.17516	3.2
245.15359	2.2
247.16917	3.9
249.18510	22.8
253.19493	2.2
257.18982	2.1
259.16867	1.8
263.20090	2.0
269.10757	2.0
271.20676	1.7
281.22534	1.9
289.21756	1.9
297.22260	2.4
309.22061	1.7
323.23831	2.1
327.23169	3.1
329.24872	3.8
335.23846	2.4
337.25497	2.8
341.24799	2.0
355.26440	3.9
369.27924	1.9
371.16562	2.1
377.32126	3.6
387.30780	3.2
395.29437	2.2
405.31540	30.2
407.33212	4.2
415.30017	3.3
421.31061	2.9
423.32602	100.0
425.34210	5.6
433.31036	22.9
441.33951	5.9
451.32104	47.2
469.20932	5.1
469.33252	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
53.03933	3.8
53.81864	1.6
55.01867	2.8
55.05518	11.1
57.07077	4.2
57.07371	1.8
58.01008	1.5
59.04990	6.6
65.03941	2.1
65.35332	1.6
67.05504	18.0
69.03426	3.2
69.07066	12.6
70.30647	6.8
75.22941	1.6
78.20921	1.7
79.05494	15.5
81.03435	2.5
81.07056	34.0
83.04978	7.5
83.08620	8.5
85.02898	3.7
85.06528	3.8
85.95407	1.6
86.36098	1.7
86.77557	1.7
90.95588	1.6
91.05489	26.9
93.07053	33.3
95.04972	5.5
95.08611	50.9
97.06528	10.2
97.10175	2.0
97.22600	1.6
103.05452	1.8
105.07033	70.1
107.04937	2.1
107.08598	49.4
109.06526	4.9
109.10159	26.1
111.08083	11.3
115.05502	2.0
117.07020	9.6
119.08589	86.7
121.06531	8.6
121.10150	35.0
123.08072	9.7
123.11723	8.1
124.46986	1.8
125.09627	4.7
128.06123	2.5
129.06982	5.5
130.07755	2.8
131.08577	30.0
133.10139	54.5
135.08078	7.6
135.11694	16.8
137.09633	7.8
141.06929	3.2
142.07803	5.1
143.08565	14.1
144.09413	2.3
145.10135	59.7
147.08052	6.1
147.11693	50.3
149.09608	5.8
149.13258	16.4
151.11172	1.9
155.08553	4.6
156.09343	5.0
157.10133	27.4
158.10838	2.1
159.11702	42.2
161.09631	15.0
161.13271	26.5
163.11205	7.3
163.14850	8.9
165.09140	1.8
165.12695	2.3
169.10170	5.4
171.11673	18.4
172.12483	2.1
173.09653	2.6
173.13266	46.0
175.11290	9.6
175.14828	100.0
177.12740	10.1
177.16342	14.9
183.11678	6.1
185.13280	16.2
187.11317	2.2
187.14822	32.1
189.12798	14.3
189.16376	17.7
191.14331	16.0
193.12343	2.5
193.15887	10.4
197.13272	7.4
199.14806	19.2
201.12840	8.9
201.16394	21.3
203.14323	25.9
203.17963	12.2
205.15956	8.3
211.14880	6.0
213.12648	2.0
213.16409	17.2
215.14322	16.6
215.17996	6.2
217.15935	16.8
217.19516	2.8
219.13844	3.8
219.17369	8.5
221.13353	3.3
221.15375	27.1
225.16354	4.2
227.17938	3.4
229.15874	7.9
231.17458	65.8
233.15363	4.2
233.19057	4.8
235.16939	5.1
237.14827	3.1
243.17627	1.8
245.19102	2.6
247.17044	3.2
249.18536	4.1
259.20566	3.4
273.18701	1.6
275.20468	2.4
295.20694	1.9
337.25540	2.1
383.25864	4.7
387.30380	2.2
393.31625	3.5
405.31595	26.5
407.33115	7.4
411.32840	4.6
421.30847	8.6
423.32602	63.9
425.34296	6.9
433.31131	18.2
439.32034	7.1
441.33734	9.7
451.32117	38.8
469.20895	5.8
469.33157	63.9
470.33688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18449	1.9
53.03941	5.7
55.01866	7.5
55.05516	11.6
55.19177	1.9
56.96560	3.8
57.03433	6.7
57.07068	2.0
61.02942	3.8
66.45174	1.9
67.05172	2.4
67.05503	22.5
68.41711	1.8
68.99780	5.0
69.03434	25.4
69.07073	27.6
69.10372	1.9
69.33752	17.7
70.06610	2.2
71.05001	14.1
71.08602	3.1
73.02930	3.4
76.22083	1.8
79.05118	2.4
79.05505	25.5
81.03426	19.2
81.07064	43.1
83.04969	10.0
83.08615	8.5
85.02423	2.8
85.02912	28.4
87.00841	15.5
89.03902	2.4
91.05493	16.3
93.07048	27.9
95.04979	10.7
95.08611	34.5
97.02896	15.0
97.06538	83.3
97.10148	4.8
98.06884	2.1
98.97590	3.8
99.04448	5.1
99.08096	3.7
103.03962	3.9
103.05475	3.1
105.01871	6.4
105.07037	35.3
106.34792	2.3
107.04963	5.0
107.08606	29.0
109.02882	12.2
109.06514	5.7
109.10162	31.1
111.04474	5.5
111.08085	2.8
111.11689	2.3
113.03442	2.6
115.03904	6.4
115.14510	1.9
117.07001	6.8
118.81612	2.1
119.04935	3.0
119.08596	29.9
120.08104	2.1
121.06509	8.1
121.10151	31.2
123.04402	5.7
123.08057	8.6
123.11698	14.9
123.22071	1.9
125.09612	4.5
127.03924	15.5
127.11196	11.9
128.06271	3.4
128.11647	2.1
129.01833	6.0
129.05458	2.2
129.07031	5.1
131.00136	2.4
131.08559	13.8
133.10143	24.2
135.04410	9.3
135.05324	2.1
135.08078	5.9
135.11694	15.7
137.05988	3.5
137.09590	5.1
137.13246	5.5
139.11185	2.2
141.06984	4.2
142.07785	2.8
143.08606	10.8
145.02852	7.9
145.04939	3.6
145.06572	3.0
145.10123	18.5
147.02927	3.3
147.04399	7.2
147.08095	2.0
147.11696	22.6
149.01303	2.0
149.09608	3.7
149.13235	10.2
151.11177	2.0
153.12801	3.0
155.08543	5.2
157.10159	15.0
159.02965	5.3
159.04408	5.0
159.08058	5.1
159.11688	22.5
161.02336	14.6
161.09671	5.1
161.13254	9.8
163.03925	59.0
163.11183	5.0
163.14864	4.3
164.04224	4.5
167.08530	2.4
169.10121	4.6
170.15366	2.7
171.11731	10.1
173.02365	39.0
173.09523	4.2
173.13306	6.9
175.03906	2.5
175.11159	3.5
175.14861	6.9
177.12784	3.7
177.16364	4.0
181.10121	2.3
183.04218	2.3
183.11685	5.5
185.09601	3.6
185.13251	4.2
187.11223	3.4
187.14824	6.5
189.03961	3.4
189.16396	6.7
191.14400	5.2
192.09462	2.1
195.11719	3.4
197.13249	5.1
199.11191	3.1
201.03918	3.3
201.12727	3.5
201.16409	8.0
203.18008	17.5
205.15800	2.8
205.19600	3.0
209.13280	3.0
210.14944	3.2
213.05685	2.3
213.16306	3.3
215.07051	56.3
219.17389	5.0
221.18999	10.0
225.12767	5.9
225.16393	2.5
227.17828	3.3
231.05061	2.6
231.17415	4.9
233.19012	5.4
241.08540	2.5
243.13945	2.7
243.17314	4.7
244.09590	6.4
245.19052	8.6
257.18994	4.1
259.09677	100.0
260.10013	15.0
263.20087	5.3
269.10553	4.6
277.10724	58.1
287.11545	2.4
287.20224	3.2
293.18973	4.1
305.21136	2.8
311.20081	12.6
329.21069	12.0
331.62338	2.5
347.22073	3.4
415.21133	6.5
433.22150	6.8
444.44965	2.1
451.23560	16.4
469.19000	3.1
469.24289	15.0
469.33347	3.8
487.18475	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01873	11.8
55.05513	14.8
56.96553	5.4
57.03428	5.3
59.04984	2.7
61.02923	5.6
65.03941	2.6
67.05511	23.2
68.99768	4.9
69.03135	2.3
69.03435	26.1
69.07072	26.2
69.33439	15.3
69.33848	3.4
70.06580	2.1
71.04992	15.1
73.02898	2.6
75.51220	2.0
79.05502	21.0
81.03431	20.9
81.07061	44.6
83.04976	7.5
83.08606	7.6
85.02909	26.3
85.06554	2.9
87.00833	15.2
91.05486	15.7
93.07048	34.5
95.04982	11.3
95.08610	37.0
97.02918	14.6
97.05914	4.4
97.06536	80.4
97.10165	4.9
98.06872	3.8
98.20784	4.9
99.04447	6.1
99.08109	3.0
103.03941	4.2
105.01887	7.3
105.03405	2.1
105.07032	36.4
107.04968	4.4
107.08601	31.3
109.02874	11.3
109.06514	5.9
109.10159	28.3
111.04437	7.3
115.03938	8.9
115.05477	2.0
115.99916	2.0
117.03333	4.2
117.07023	7.5
119.08591	33.4
121.06497	7.7
121.10140	26.4
123.04484	3.6
123.08092	7.0
123.11732	14.3
125.05952	2.7
125.09638	3.4
127.03938	13.8
127.11230	12.5
129.01820	4.9
129.07004	4.8
131.00131	3.3
131.08574	15.0
133.10141	24.8
135.04414	9.1
135.08061	5.2
135.11700	17.7
137.05981	4.9
137.09622	4.3
137.13249	5.4
141.07004	5.0
143.08574	9.0
145.02843	6.1
145.04977	3.7
145.10120	20.5
147.02930	2.8
147.04419	5.6
147.08006	5.4
147.11713	19.1
149.01215	3.3
149.09593	2.5
149.13258	9.7
151.11246	4.0
153.12712	3.0
155.08560	5.1
156.09258	2.8
157.10129	12.9
159.02907	5.0
159.04434	4.1
159.08069	2.6
159.11707	20.0
161.02332	12.6
161.09749	2.4
161.13290	12.7
163.03917	53.3
163.11235	3.7
163.14755	2.7
164.04263	3.0
169.10184	4.6
170.15411	3.8
171.08041	2.8
171.11679	10.9
173.02353	43.5
173.09596	3.9
173.13264	6.6
175.11179	4.0
175.14757	5.1
177.12743	3.3
177.16408	3.9
181.10159	2.4
183.11684	5.6
185.09618	3.0
185.13274	4.3
187.11201	5.2
187.14865	5.6
189.03986	4.3
189.09125	4.3
189.12776	4.9
189.16344	6.3
191.03433	2.8
191.14285	4.0
191.17848	3.1
193.10245	2.5
195.11690	2.2
197.13264	4.0
199.14865	3.4
201.12720	3.3
201.16391	8.3
203.17987	16.3
205.19495	2.9
207.11801	3.7
209.09627	2.3
213.16374	3.4
215.07033	53.2
215.17903	3.5
216.07156	2.7
219.17436	6.8
221.19119	10.1
223.14850	2.9
225.12679	4.5
227.14299	2.2
227.17982	5.7
231.04927	3.5
231.17390	3.2
233.19060	4.3
239.17842	2.8
243.13670	2.4
244.09662	4.5
245.19028	7.2
257.19049	3.6
259.09689	100.0
260.10016	12.7
261.14923	2.0
261.18326	2.6
263.20203	2.8
269.10596	4.5
269.19156	3.2
277.10727	56.7
281.68726	2.1
283.20816	2.4
287.20111	2.1
293.18915	4.2
305.21164	3.4
311.20071	12.2
329.21170	10.8
347.22333	2.3
415.20840	4.7
433.22165	7.6
451.23141	13.9
469.19434	6.3
469.24475	10.3
469.33316	2.5
487.18243	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01851	8.7
55.05508	15.3
57.03418	6.2
57.07071	4.5
59.04998	2.1
61.02899	6.2
63.53035	2.2
65.03922	4.0
67.05506	19.7
68.99786	4.0
69.03436	32.0
69.06734	2.3
69.07066	30.1
70.06574	2.0
71.04994	20.9
71.56731	2.4
73.02891	3.0
73.06524	2.3
75.15032	1.9
79.05494	22.7
81.03425	22.5
81.07058	46.9
83.04964	6.6
83.08631	10.5
85.02450	2.1
85.02907	37.2
87.00842	17.3
87.17158	1.8
89.03903	2.5
91.05486	21.2
93.07050	27.8
95.04975	11.3
95.08608	32.3
97.02903	15.6
97.05934	4.4
97.06533	80.4
97.10143	2.7
98.06838	3.7
98.97540	2.8
99.04421	7.7
99.08102	9.6
103.03906	5.3
105.01839	8.3
105.03394	2.7
105.04530	2.6
105.07030	40.2
107.04896	6.5
107.07973	2.5
107.08605	28.5
109.02882	14.1
109.06491	6.2
109.10158	31.7
111.04407	7.6
115.03887	3.6
117.03355	4.2
117.07063	10.5
119.07832	2.3
119.08592	35.6
121.06435	7.2
121.09315	2.3
121.10130	24.0
123.04390	8.8
123.08028	3.8
123.11707	19.3
125.09601	4.1
127.03916	18.9
127.11181	18.6
128.06198	4.1
129.01790	5.8
129.06956	6.2
131.08560	16.8
133.06541	3.2
133.10129	22.6
135.04430	12.6
135.07991	7.0
135.11702	17.6
137.05928	4.8
137.09587	4.0
137.13251	4.3
139.07469	2.4
139.11174	2.6
141.06947	3.3
142.07785	2.6
143.08554	12.8
145.02805	7.1
145.04921	5.5
145.10129	22.2
147.04401	3.8
147.07983	5.0
147.11674	24.5
149.13196	7.0
151.07471	3.5
151.11139	3.2
151.12383	1.8
153.12685	2.4
155.08505	4.0
156.09338	2.6
157.10127	14.2
158.10912	2.3
159.02933	3.8
159.04352	4.0
159.07977	6.0
159.11697	23.0
161.02342	16.5
161.09547	4.6
161.13184	10.4
163.03914	51.0
163.11110	2.8
163.14796	3.4
165.12686	2.4
167.08499	3.3
169.10042	6.8
171.08022	4.1
171.11629	9.2
173.00958	3.2
173.02341	42.7
173.09415	2.8
173.13214	6.7
175.11165	4.6
175.14781	6.2
177.12666	4.7
177.16344	3.7
182.10822	2.2
183.11621	5.0
185.05978	2.5
185.13264	5.6
187.07524	2.1
187.11093	3.8
187.14702	8.2
189.03859	4.8
189.12735	4.6
189.16353	10.2
190.00880	2.4
195.11583	3.6
197.13150	5.4
197.52991	2.1
199.11113	4.0
201.12715	3.1
201.16432	13.4
203.10548	2.5
203.17957	14.0
207.11623	5.6
209.13139	2.1
213.12738	2.7
215.05058	3.5
215.07028	56.1
215.17737	2.8
216.07431	2.8
219.17368	6.6
221.19003	9.9
225.12779	4.6
225.73689	2.0
227.17976	5.7
231.17432	3.5
233.18976	2.9
243.13791	3.2
243.17389	3.4
245.18936	7.9
257.18997	3.2
259.09668	100.0
260.09958	12.9
263.20004	6.2
269.18893	2.4
277.10709	61.0
283.20349	2.6
287.20068	4.4
293.18845	4.3
295.07086	2.1
311.20163	15.4
327.26291	3.5
329.21088	11.3
341.50909	2.4
347.22089	3.1
365.23190	3.2
407.24060	2.3
415.20993	3.6
433.22113	9.5
451.23300	18.9
452.18152	3.7
469.20123	82.0
470.19849	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74541	0.4
55.05499	0.5
62.98253	5.9
65.78427	0.5
66.13435	0.4
67.05500	0.8
71.43113	0.5
79.05524	0.5
81.07059	0.8
89.06068	0.7
93.07038	0.5
104.44550	0.5
107.08608	0.5
113.00031	2.0
119.08556	0.6
124.93781	27.7
140.70901	0.5
156.96385	42.9
169.02631	2.7
212.98987	4.1
301.21072	0.8
304.18915	0.5
313.27542	0.7
379.88782	0.5
437.20392	10.2
456.22565	0.5
469.23032	100.0
470.23520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	9.5
55.05515	49.4
56.05854	6.5
57.03421	13.2
57.07075	14.1
58.06580	5.4
58.07427	6.1
61.61184	5.3
67.05511	48.1
68.05797	6.0
69.07064	36.8
69.20869	64.3
70.07388	6.5
70.11913	4.9
71.08628	13.0
72.08921	6.9
76.07653	5.9
79.05498	31.0
81.07059	48.8
83.08623	31.3
85.10164	5.7
91.05486	34.0
93.06532	5.4
93.07036	36.2
95.04977	11.1
95.08599	33.1
97.06521	7.9
97.10170	23.7
98.98469	58.6
100.98886	17.2
103.05495	7.0
105.07030	34.8
107.08584	19.4
109.06475	7.5
109.10149	13.6
111.08037	7.5
117.07049	12.0
119.08556	17.6
121.06544	9.6
121.10152	10.6
123.11726	6.3
125.09621	9.8
129.07005	23.9
131.01512	7.2
131.08534	31.7
133.10106	10.6
134.98193	9.3
135.11726	8.5
143.08557	15.9
145.10127	17.4
147.08005	8.2
147.11679	6.4
153.09128	7.1
155.01082	39.2
155.02171	6.2
155.08612	10.2
155.92697	5.5
157.01457	12.7
157.10149	14.6
159.08076	6.4
159.11766	6.9
169.10049	7.8
171.11700	9.0
185.13210	8.6
201.54089	5.6
203.12781	15.7
209.53581	5.3
223.14938	6.6
257.15448	8.0
311.25638	15.7
312.26111	33.4
313.26758	19.9
314.27325	63.1
333.22055	11.2
341.24619	8.1
351.23062	23.3
355.26404	6.5
369.24216	40.2
383.25674	6.4
401.26971	100.0
415.28195	20.0
433.29449	44.5
450.26175	24.9
469.23166	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	468.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05311	1.2
55.05517	15.4
55.87855	1.5
57.03448	7.2
57.07088	9.4
62.98267	1.3
67.05500	4.5
69.07072	18.7
69.59575	2.1
69.59985	6.6
71.08636	6.5
72.24297	1.2
79.05496	4.5
81.07066	6.0
82.90515	1.3
83.08637	20.0
85.10180	3.9
89.06063	1.5
91.05519	2.0
92.83019	1.3
93.07034	3.4
95.08604	4.7
96.31451	1.4
97.06557	2.1
97.10173	12.6
98.98481	3.0
99.52608	1.2
105.07064	2.2
107.08554	1.5
109.10176	1.6
111.11736	2.2
113.00024	30.6
117.06981	1.8
121.10143	3.4
124.93779	7.9
131.08588	2.6
155.00998	1.8
155.08609	2.1
156.96391	12.7
157.96631	1.3
169.02612	20.1
187.03697	5.9
198.97531	1.8
210.91753	1.3
212.98900	2.0
237.22102	1.8
311.25812	100.0
314.27689	4.6
351.23035	2.3
371.88898	1.3
405.23975	3.6
419.28058	1.5
433.30142	1.7
436.19315	2.6
450.27231	1.5
468.21872	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	468.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01850	0.9
55.05484	0.7
57.03404	0.6
65.03899	0.7
67.05471	2.4
67.05801	0.6
68.42643	0.7
69.03394	0.8
69.07033	2.5
70.06554	1.2
71.04961	1.1
79.05497	4.1
80.04976	1.8
81.03378	1.4
81.05743	0.6
81.06998	2.0
82.06542	2.4
84.08105	1.2
85.02863	1.5
86.09674	1.2
91.05480	3.9
93.05764	0.7
93.06486	0.5
93.07049	8.6
94.06570	9.0
95.04964	1.4
95.07359	9.1
95.08559	2.1
96.08135	21.1
97.02878	0.8
97.06534	13.5
98.97514	0.7
103.05448	1.4
105.07006	0.9
106.06517	1.0
107.08549	0.9
108.04439	2.3
108.08131	9.8
109.08888	1.2
109.10117	0.6
110.09689	40.0
111.04444	0.5
119.04929	1.4
120.08112	24.7
121.06484	1.2
121.10099	0.9
122.05992	0.8
123.06770	1.6
133.10121	0.9
134.05995	1.1
135.04367	1.0
136.07556	2.6
138.09148	41.6
140.07011	0.9
145.02852	1.0
146.05981	2.3
147.04427	4.1
148.07579	7.8
153.01714	0.7
154.08521	1.2
159.04382	0.8
161.02295	2.4
161.07054	3.5
163.03923	5.1
166.08647	53.1
167.08754	0.9
168.06494	1.1
173.02371	3.8
173.10841	0.7
174.09178	0.8
176.06975	0.7
187.08667	1.7
194.08002	0.6
198.09096	0.7
199.08644	0.9
201.10275	4.1
211.08582	0.8
212.10822	0.8
213.10207	1.1
215.06990	6.9
215.11752	1.5
223.12297	0.6
225.10231	1.4
227.08110	0.7
227.11794	0.6
229.09683	3.1
229.13333	1.3
239.11755	1.1
242.10417	0.9
243.11301	2.7
247.14442	1.9
249.12001	0.6
251.08493	0.6
255.11328	3.1
257.12811	3.0
259.09674	16.3
267.11285	0.9
269.12891	1.2
275.13864	5.6
277.10840	3.7
285.12280	6.0
287.13867	1.0
297.12323	3.3
299.13898	4.3
303.13397	100.0
304.13712	1.3
315.13406	13.7
323.23227	2.0
327.26355	1.7
329.07251	0.6
405.58902	0.6
422.20831	1.0
440.21509	0.6
450.20334	4.1
468.21375	38.2
468.33334	2.1
469.21167	0.7
469.27283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
67.05516	1.1
69.03403	0.9
69.07037	1.9
69.32979	4.9
79.05469	2.4
80.05003	1.3
81.05773	0.7
81.07027	0.8
82.06556	2.1
85.02881	0.7
91.05491	3.1
93.07053	5.6
94.06583	6.4
95.04971	0.9
95.06841	0.5
95.07355	6.9
95.08589	1.5
96.08132	14.5
97.06532	10.8
103.05446	1.1
105.04485	0.6
107.08552	0.6
108.04459	1.3
108.07512	0.6
108.08121	6.0
109.08848	0.6
109.10160	0.6
110.09686	27.6
120.08113	17.8
121.06538	0.5
122.06006	1.1
123.06755	0.7
124.07520	0.6
127.03903	0.6
133.00145	0.6
133.10124	1.3
134.05971	1.1
135.04430	0.6
136.07571	2.0
138.05571	0.6
138.09146	27.6
145.02859	0.7
146.06013	0.9
147.04419	1.3
148.07579	4.1
149.09590	0.6
149.39783	0.5
151.11147	0.9
154.37430	0.5
159.04372	0.7
161.02290	1.6
161.07092	2.8
163.03922	3.7
166.08644	37.8
173.02435	2.7
184.07399	0.9
187.08716	0.8
194.08154	0.5
201.10237	3.0
209.15288	0.8
215.06883	5.2
215.11754	1.7
225.10204	0.7
229.09717	2.4
229.13441	0.9
241.09688	0.8
243.11284	2.0
247.14456	1.0
255.11308	2.0
257.12888	2.9
259.09668	13.8
267.11194	0.6
275.13953	3.9
277.10849	1.3
285.12317	5.0
287.13828	0.8
297.12366	1.0
303.13388	100.0
304.13617	1.5
315.13406	6.6
327.26514	0.7
468.21298	28.8
469.21448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49757	0.2
53.03955	0.5
55.05511	3.2
57.07083	1.1
65.03941	1.0
67.05509	32.8
69.07075	3.4
69.26598	2.0
71.08643	0.9
79.05511	2.3
81.07062	12.1
83.08637	1.2
83.31586	0.2
85.10172	0.4
91.05464	1.5
93.07050	4.3
94.07851	0.2
95.08614	7.0
97.10173	0.8
105.07039	4.5
107.08605	6.8
109.10162	100.0
110.10513	0.5
119.08584	5.1
121.10156	4.3
123.11713	1.9
131.08635	0.5
133.10126	2.7
135.11708	4.6
137.13257	0.8
138.57555	0.2
145.10120	1.4
147.11694	3.8
149.13239	1.8
157.10017	0.2
159.11703	1.4
161.13260	3.3
163.14769	1.0
173.11740	0.5
173.13242	0.6
175.14821	1.3
177.16386	0.6
187.14786	1.0
189.16382	3.4
191.17963	6.5
201.16322	1.2
203.17949	2.7
205.19609	0.4
213.16510	0.3
215.17992	1.3
217.19540	2.4
219.53273	0.2
229.19550	0.7
243.21199	0.3
271.24121	0.2
283.17224	0.3
351.30365	0.7
407.36743	2.2
411.32288	0.3
467.38104	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	467.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75844	0.3
56.96567	19.0
61.37182	0.3
67.05477	0.4
69.07028	0.4
71.15516	0.6
71.95260	2.7
72.96059	1.6
72.96371	0.3
74.97604	0.4
79.05457	0.4
79.31236	0.3
81.07021	1.0
84.96019	0.7
85.02867	0.6
90.98702	0.3
91.05447	0.4
93.07042	0.4
94.75928	0.3
95.08539	0.4
97.96793	0.7
98.97527	0.4
105.00143	0.4
105.07014	0.5
107.08569	0.6
110.97528	1.6
118.00287	0.3
119.01666	0.6
119.08569	0.4
127.00656	0.3
128.98608	0.6
137.02740	0.9
141.02197	0.4
151.04335	0.7
151.55666	0.3
155.03816	0.6
157.31412	0.4
158.99876	0.4
179.07379	0.5
197.08528	0.7
211.06578	0.5
223.10033	4.3
229.07388	0.3
235.10033	6.5
241.11116	41.1
253.11121	80.9
254.11465	0.6
259.12183	31.0
260.12482	0.7
264.12732	2.8
269.10605	0.5
271.12173	100.0
272.12402	0.9
276.12723	2.5
282.13794	1.6
285.13867	0.3
289.13138	2.4
294.13776	12.2
295.14383	0.3
301.11703	0.3
302.13718	0.4
351.18658	0.4
369.19479	1.2
387.20804	0.4
431.24426	0.4
467.26859	21.5
468.26703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
70.01416	0.2
71.00903	0.4
71.01236	0.3
84.08124	0.6
97.06528	0.2
107.07053	0.3
107.08555	0.3
119.89127	0.2
127.03880	0.3
133.10063	0.4
138.28270	0.3
145.10201	0.3
147.04417	0.5
165.05589	0.3
180.47760	0.3
310.16260	2.2
318.20044	0.3
324.17834	1.1
346.19958	2.3
364.20746	0.7
376.46750	0.3
379.16858	0.5
389.24112	1.5
401.23840	0.3
407.25302	1.6
431.25232	1.6
449.26248	27.4
450.26401	0.4
463.75891	0.3
467.27304	100.0
468.27866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2107
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
55.90013	0.4
56.96566	1.7
59.47445	0.4
67.45319	0.4
68.70554	0.4
69.03422	0.6
70.06592	2.4
70.73375	1.2
71.05000	1.4
72.08157	2.1
81.03413	0.8
84.08138	0.9
85.02920	1.0
86.09718	1.4
91.05495	1.2
94.42813	0.4
95.04942	0.4
97.02920	0.5
97.20432	0.5
98.97597	4.2
102.68086	0.4
110.97600	1.4
116.98644	1.2
119.04960	1.8
120.08144	1.3
128.98602	1.1
130.06544	0.6
131.04881	0.4
136.07631	1.3
137.06015	0.9
143.00201	0.7
144.02223	0.5
145.02908	0.9
147.04424	5.9
158.99692	1.1
161.01328	0.5
172.03972	1.2
177.00726	0.8
177.05528	1.8
217.05067	0.6
219.01840	1.7
221.72327	0.4
223.99951	0.6
229.08600	0.5
234.98984	0.7
237.02852	2.3
275.08521	0.5
279.14478	0.5
293.09030	4.3
294.04407	1.5
305.06604	0.4
305.15741	10.6
323.13287	0.5
407.12283	8.4
410.74417	0.5
425.13055	0.6
443.08945	0.5
467.21091	100.0
468.09808	1.8
468.21350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.96562	0.5
57.07084	5.2
58.06594	2.0
65.03918	1.4
67.05486	0.8
69.07043	0.8
70.06594	14.8
71.08640	2.6
71.26495	0.3
71.26813	0.4
72.08128	0.3
81.07030	0.5
84.08132	0.5
85.10176	0.8
88.07636	16.7
89.11120	0.4
95.04956	0.3
97.02850	0.4
97.10142	0.4
98.97608	0.4
102.09185	12.9
104.24335	0.3
111.26152	0.3
116.35316	0.3
118.92023	0.4
121.02877	0.5
139.03894	0.5
147.03094	0.4
147.24519	0.3
149.02354	43.9
149.03424	2.5
156.03644	0.4
193.04971	48.4
194.37466	0.3
201.76884	0.3
208.88527	0.6
212.23834	0.4
224.08069	3.2
224.58203	1.4
237.07581	51.2
238.07846	0.5
244.59430	0.5
256.26358	45.6
257.26703	0.5
260.67438	0.3
270.85657	0.4
296.56372	0.6
300.28897	1.1
356.35251	0.4
357.54532	0.5
401.61447	0.4
448.30856	0.6
466.31668	100.0
467.31924	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	4.4
57.03444	17.8
69.03088	4.1
69.03437	74.5
69.85992	15.8
70.06586	7.8
72.08149	6.6
73.16990	3.1
81.03392	4.1
84.04533	4.2
84.08108	4.5
85.02431	4.4
85.02914	48.0
86.09717	3.8
87.04475	48.0
91.05445	2.8
97.02910	60.4
111.04450	3.5
115.03939	81.6
117.18566	3.1
119.04975	4.2
127.03915	4.5
133.04012	5.4
133.04979	100.0
133.05983	4.8
137.02367	34.7
137.05888	4.3
143.85324	3.3
145.04935	9.0
147.04408	10.6
150.07581	20.6
155.03403	59.7
180.08630	4.1
238.72119	3.5
259.08350	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	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.05517	3.2
57.03440	5.7
57.07059	1.3
61.02922	1.9
61.64023	0.6
67.05509	18.6
69.03419	2.2
69.07076	5.9
70.06585	1.0
71.01350	0.6
71.04980	1.7
71.14110	1.5
73.02924	4.3
79.05494	11.3
81.03448	3.0
81.07061	42.4
83.04995	3.0
83.08628	4.9
85.02909	4.4
85.06543	2.7
86.09709	0.7
91.04001	0.8
91.05489	5.6
93.06481	1.0
93.07052	18.4
95.04980	1.3
95.08028	1.1
95.08606	9.7
97.02897	3.3
97.06543	5.0
97.10157	0.9
99.08086	1.0
105.07013	2.7
107.04930	1.0
107.08600	8.8
109.02864	1.0
109.06491	0.8
109.10139	2.4
111.08084	2.4
115.03941	2.4
117.07021	2.0
119.08575	1.5
121.06518	0.7
121.10151	7.8
123.11747	0.7
127.03904	2.0
131.08568	3.1
133.04947	1.1
133.10136	3.2
135.08061	0.8
135.11725	3.6
137.13272	4.1
139.11162	0.6
145.04997	1.8
147.04404	0.9
149.09592	0.9
149.13272	14.0
159.11707	7.0
163.05894	0.7
177.12770	4.7
193.12234	2.4
195.13834	6.4
225.14786	2.0
225.56050	0.6
269.17490	100.0
431.22980	1.5
466.33081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79129	0.9
51.26831	0.9
53.03945	1.6
55.01873	1.5
55.05511	6.8
55.54177	0.9
57.03448	4.9
61.02937	2.5
67.05508	17.1
69.03434	2.6
69.07065	10.2
69.27554	9.0
70.06586	2.1
71.04994	2.2
72.08141	2.3
79.05498	10.5
81.03413	3.1
81.07059	54.2
83.05007	5.4
83.08626	6.0
85.02898	4.9
85.06535	3.0
87.04478	2.5
87.30203	0.9
91.03967	1.0
91.05476	14.2
93.07062	5.6
95.04984	1.9
95.08618	11.7
97.02896	2.8
97.06522	5.5
97.10199	1.1
98.06063	3.6
99.04462	1.3
99.08099	3.3
105.07028	24.2
107.04939	1.1
107.08595	9.6
109.02895	1.9
109.06546	4.2
109.10182	1.7
113.06040	1.8
119.08582	18.5
120.08113	1.1
121.06529	1.2
121.10165	12.3
123.08062	3.4
123.11712	21.4
127.03941	2.1
127.07565	2.1
129.07115	1.1
131.00204	1.3
131.08601	1.3
133.10126	3.0
137.13275	3.0
140.10727	1.4
141.08992	0.9
145.02855	1.3
145.10130	1.5
147.04417	1.4
147.08131	1.3
147.11693	53.9
149.01306	1.1
155.08481	0.9
157.10129	3.2
158.11766	5.9
159.12091	4.6
165.12773	21.6
175.11206	2.4
177.05325	1.1
183.13882	3.5
193.12259	2.7
202.14441	1.1
203.14749	1.1
229.14354	12.2
267.15927	52.0
276.19299	0.9
285.16965	100.0
287.05573	1.5
289.06256	1.3
304.67767	1.1
355.17618	1.1
384.21625	1.0
447.22244	1.4
447.27634	4.9
465.13849	2.6
465.31073	1.3
479.60922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08213	0.5
53.03930	1.0
55.01859	1.6
55.05511	5.3
57.03445	4.2
57.07079	0.7
61.02915	2.1
64.71697	0.5
65.03915	0.7
67.05177	0.9
67.05508	14.1
69.03419	1.5
69.07070	8.1
70.06586	0.5
70.17258	0.5
71.04983	2.4
71.57543	1.0
73.02895	0.7
79.05496	7.8
81.07060	40.7
83.04980	4.1
83.08626	4.9
85.02924	2.5
85.06530	2.9
87.04482	1.1
91.05480	13.0
93.07041	7.0
95.04966	1.4
95.08604	8.5
97.02879	1.4
97.06545	4.7
99.08109	2.9
105.07031	19.8
107.08596	7.9
109.02826	0.5
109.06524	3.3
109.10158	1.0
111.08074	0.6
113.05997	1.0
117.07050	0.6
119.08586	14.8
120.08069	0.6
121.09307	1.0
121.10150	14.8
123.08078	2.9
123.11712	16.5
127.03901	1.1
127.07572	1.9
129.06955	0.6
129.58676	0.5
133.10126	2.1
134.40796	0.5
137.13255	1.8
141.09027	0.6
145.10094	1.3
147.04337	0.6
147.11696	45.8
149.09615	0.6
153.20972	0.7
157.10155	2.0
159.11888	0.7
165.12764	21.1
175.11198	2.0
183.13792	3.5
193.12270	1.8
211.13287	0.9
216.07616	0.7
217.08440	1.0
229.14316	8.4
267.15921	35.5
285.16974	100.0
289.06006	0.6
327.18198	0.7
393.18573	0.6
421.14725	3.1
447.22366	5.3
465.13672	10.5
465.33191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
53.63023	2.5
55.01861	3.2
55.05519	16.5
56.96569	2.8
57.03436	4.0
57.07079	16.3
59.05007	3.8
67.05498	7.3
69.03425	17.6
69.07073	81.5
70.07417	2.5
71.04984	10.9
71.08620	8.4
71.56274	2.8
71.56651	3.4
73.02921	5.0
73.06572	12.5
73.93744	2.5
79.05485	4.4
79.35651	2.4
81.03398	10.3
81.07028	8.9
83.04981	2.6
83.08593	4.1
85.02911	34.0
85.10176	6.9
85.78817	2.5
87.00831	20.8
89.06035	33.8
91.03998	3.2
91.05478	4.7
91.88747	2.2
93.07080	4.9
95.08620	4.4
97.02880	22.8
98.97550	2.8
99.04446	3.9
105.01865	23.6
105.07017	3.3
107.08595	5.3
109.02863	14.9
111.04429	3.8
111.11727	77.5
117.01917	2.6
117.97130	2.9
118.75809	2.9
120.87585	2.3
121.10145	3.0
127.03922	30.5
129.12762	100.0
131.08594	3.3
135.11726	2.7
145.04999	12.9
147.11687	3.0
159.02991	2.5
199.16928	11.4
217.17995	5.2
231.05029	6.6
255.09024	5.0
287.05530	7.1
288.05737	4.0
289.06006	9.0
293.13251	6.3
293.63470	4.9
294.13885	2.9
302.13748	7.0
333.51431	2.6
343.42239	2.7
356.48532	2.6
365.16183	4.0
399.89786	2.9
465.28897	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05519	14.1
57.06820	3.1
57.07079	34.2
67.05511	5.8
69.07076	25.4
69.43191	13.9
71.08636	29.4
71.17480	1.8
79.05494	3.3
81.07072	22.1
83.08620	16.9
85.06528	2.2
85.10201	13.9
91.05481	4.1
93.07040	8.2
95.08609	14.2
97.10151	10.5
99.04462	6.5
105.07031	7.2
107.08622	5.2
109.06536	13.2
109.10156	8.9
111.11694	4.2
119.08602	5.2
121.10131	4.3
123.08070	11.0
123.11693	3.7
125.06018	15.0
125.13219	2.7
127.07561	42.6
133.10155	4.0
135.08076	2.8
135.11699	2.6
137.06021	2.5
137.09618	2.6
139.07549	100.0
147.11736	3.4
149.05983	4.9
149.09602	3.1
151.07550	6.4
161.09650	2.2
161.13248	2.1
163.07562	4.2
167.07048	5.2
175.11023	1.9
177.09129	14.8
179.10551	2.6
187.11290	2.2
189.12602	3.0
193.12184	2.1
219.13704	2.5
287.05478	7.7
301.29059	4.6
319.26685	2.4
319.29861	9.7
347.29990	1.9
347.33197	19.7
373.31018	5.8
385.34760	2.6
390.82889	2.3
399.36029	3.0
403.35742	3.6
417.37280	21.0
427.35703	3.3
445.36807	58.7
463.37802	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
51.16901	5.4
55.05508	25.2
57.07082	30.9
63.71740	5.6
67.05497	26.0
69.07073	62.3
69.41132	23.1
69.41558	21.0
71.08649	34.5
79.05498	21.8
81.07063	73.3
83.04987	7.4
83.08617	38.2
85.10176	23.9
91.05480	20.5
93.07045	43.5
93.83657	5.6
95.08614	86.5
95.09184	10.1
97.10180	25.4
98.20746	7.2
105.07026	58.5
107.08612	52.8
109.06552	9.4
109.10160	46.7
111.11723	19.2
117.06996	13.2
117.28224	5.5
119.08599	43.4
121.10149	45.1
123.11716	21.0
131.08609	27.8
133.10123	34.1
135.11737	28.5
137.13278	10.8
143.07045	7.0
143.08594	11.3
145.10118	49.5
147.11670	34.5
149.09596	6.8
149.13289	24.6
155.07030	6.4
157.10158	13.6
159.11702	22.2
161.13274	24.9
163.14761	11.6
164.00330	6.1
165.09149	8.0
169.35820	5.6
171.11687	10.7
173.13306	14.3
175.14838	7.7
177.09195	10.7
185.13274	9.7
187.14809	13.9
189.16513	7.8
191.10669	17.4
199.14978	7.3
201.16338	6.8
203.17947	8.4
227.17827	8.8
228.91261	5.8
233.15291	9.2
247.16968	5.5
247.24110	6.1
263.16437	7.0
273.18469	12.6
287.05487	70.9
287.20108	12.9
341.31964	16.3
343.33569	25.4
367.33749	6.6
385.34552	14.7
401.46716	6.0
409.34668	7.3
427.35846	71.2
445.36823	100.0
463.26715	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.53119	2.1
53.03954	1.8
55.05514	14.4
57.06826	2.6
57.07078	35.5
67.05504	8.4
69.03411	2.3
69.07073	29.1
71.08636	25.8
71.56720	2.5
79.05481	3.8
80.36639	1.9
81.07065	18.4
83.08627	22.8
83.50197	1.8
85.10199	16.5
91.05476	4.6
93.07059	6.5
95.08616	15.9
97.02888	2.3
97.06538	3.7
97.10201	13.2
99.04478	5.9
105.07042	7.7
107.08611	6.9
109.06528	17.6
109.10166	8.9
111.08058	2.3
111.11735	8.0
113.02932	1.8
119.08595	4.4
121.10139	6.5
122.82339	2.1
123.08095	13.2
123.11729	2.7
125.05996	17.6
125.09626	2.4
127.07570	49.3
128.05499	2.0
133.10178	4.1
135.08055	3.9
137.05994	7.9
137.09651	4.8
139.07552	100.0
147.11670	3.4
149.06073	4.9
149.09673	5.3
149.13274	2.3
151.07532	8.7
151.11230	3.0
161.09669	2.8
163.07542	2.3
165.09158	1.9
167.07068	7.1
175.11217	2.2
177.09126	17.4
177.12746	2.3
189.12672	2.7
228.03662	2.2
257.56760	2.2
287.05582	7.8
301.29013	5.0
319.29990	8.6
336.04681	2.0
339.72229	1.9
347.29272	3.3
347.33124	17.2
373.31091	7.5
385.34711	2.6
399.36267	4.2
403.35880	3.6
417.37198	16.1
427.35730	5.1
445.30566	4.0
445.36823	70.3
463.37912	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88721	0.5
55.05510	2.6
56.05032	5.3
56.96541	0.7
57.03427	1.0
60.04522	5.6
67.05494	4.0
67.82931	0.5
68.05036	0.6
69.03429	0.7
69.07072	1.0
69.38366	0.7
70.06596	6.7
71.56723	0.9
72.08153	1.5
73.02898	0.6
79.05496	3.6
80.04990	0.8
81.03418	2.6
81.07061	4.0
82.06589	1.6
83.04964	0.7
83.08636	0.7
84.04501	1.5
84.08145	100.0
85.02902	1.8
85.08482	0.9
86.03207	0.7
86.09701	5.5
91.05463	3.8
93.07032	3.3
94.06558	0.9
95.04976	3.2
95.08604	2.5
96.08132	2.2
97.02878	1.0
97.06542	0.7
97.08928	1.1
98.09686	8.3
98.97591	1.6
99.04471	1.0
102.05550	1.1
104.05333	0.6
104.26383	0.5
105.07069	2.9
106.05054	0.9
107.05012	1.3
107.08637	1.2
109.02938	0.7
109.06506	0.9
109.10160	0.6
109.48120	0.5
110.09681	4.6
110.97679	0.6
111.04467	0.6
112.07626	0.6
117.07012	1.0
119.08591	1.5
120.08117	1.6
121.10152	1.3
122.09660	1.1
122.23051	0.6
123.08119	0.6
123.10468	1.7
124.11237	2.1
126.09159	16.1
128.98631	0.7
129.10265	1.0
131.08562	1.8
133.10162	1.1
134.09589	0.7
135.11734	0.6
136.07570	2.1
136.11246	1.6
137.09561	0.7
142.12286	5.7
144.08093	0.6
145.02824	0.8
145.10115	1.6
149.09546	0.6
150.12794	0.8
161.05896	0.6
163.03879	0.8
181.12268	0.7
193.12259	1.0
204.17461	1.0
205.04710	8.9
210.14954	0.8
222.18617	1.2
236.20187	1.9
237.02840	0.7
246.07843	0.8
246.17067	0.6
248.20178	1.2
266.07629	1.2
266.21121	1.4
272.19965	0.7
278.21173	1.7
280.07278	0.7
283.11368	1.1
287.05563	2.3
288.18051	4.6
290.21234	1.2
293.22421	0.7
301.07144	1.1
301.12582	6.8
302.19748	1.0
308.22214	2.5
326.23117	2.7
367.25961	2.9
385.26981	28.1
386.66739	0.6
403.28021	2.0
420.12769	0.6
421.28925	1.2
427.28116	2.1
445.29095	69.0
446.29535	1.6
463.16074	21.7
463.30118	57.5
464.15643	0.8
464.24893	0.8
464.30545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01879	1.4
55.05517	5.9
57.03445	6.6
67.05509	23.3
69.07088	10.8
70.95509	1.6
70.95843	2.4
71.05019	1.4
71.08636	27.0
79.05492	20.8
81.03418	3.5
81.07067	25.5
83.04980	4.7
83.08630	7.0
85.06564	1.3
91.05486	14.7
93.07051	27.7
95.04974	6.3
95.08620	19.8
97.06542	5.2
97.10152	1.9
99.08097	19.2
105.07033	11.1
107.04993	3.0
107.08607	11.5
109.06522	2.0
109.10135	6.2
113.00023	19.0
113.09631	2.7
117.07037	2.8
119.08598	10.2
121.10165	12.3
123.08005	2.1
131.08606	1.7
133.10139	9.6
135.11693	16.8
137.09686	2.0
145.10161	3.1
147.11682	4.6
149.13303	4.0
151.11200	10.4
157.10135	1.7
159.11725	1.7
161.13268	7.7
163.11217	3.5
169.02695	6.6
171.11653	1.9
173.13248	1.2
177.12708	1.7
179.14317	49.8
185.13310	1.5
189.12772	2.3
195.14043	1.9
207.13779	1.3
225.58714	1.3
235.16905	2.4
241.19539	1.4
259.20380	3.0
277.21628	33.4
287.05511	25.4
295.22598	1.4
351.25308	100.0
378.29675	1.2
458.54788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.2
57.07060	8.7
63.39735	3.2
67.05499	6.5
69.07058	8.8
71.08643	8.3
79.05485	4.3
81.07053	6.1
85.10200	3.9
86.79103	3.0
93.07027	7.2
95.08636	5.8
96.59906	2.7
98.20778	6.4
107.08586	5.3
117.12697	2.9
125.06026	4.0
150.95618	59.8
151.07597	3.3
153.01802	4.0
154.94164	8.2
157.10068	3.3
168.95795	12.0
172.34631	3.4
172.95222	6.1
186.96803	31.9
204.97906	15.5
209.98451	4.3
224.98460	6.0
242.99530	5.6
285.00284	3.0
287.05499	100.0
293.35654	3.4
313.20721	3.8
313.27393	10.2
403.74847	4.0
449.19669	7.4
462.97379	3.2
463.21902	34.3
463.30167	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.39960	0.2
55.01865	0.7
55.05510	1.8
56.96550	0.3
57.03444	1.3
57.13118	0.2
60.04517	0.5
61.02912	0.5
64.43917	0.2
67.01860	0.4
67.05503	2.8
68.05042	0.2
68.99783	0.4
69.03415	1.0
69.07079	1.7
70.06586	0.8
71.05002	0.4
72.08154	0.4
73.02910	0.6
79.05497	4.1
80.05009	0.3
81.03401	1.0
81.07057	3.4
83.05004	1.1
83.08610	1.8
84.08146	0.5
85.02898	0.6
85.06516	0.3
86.09699	0.6
91.03983	0.3
91.05461	1.9
93.07053	5.9
94.06568	0.3
95.04979	1.5
95.08611	6.5
97.02908	1.2
97.06538	2.2
97.08918	0.5
97.10160	0.3
98.06884	0.3
99.04461	0.8
100.11254	0.4
101.02380	0.3
101.06113	0.3
105.07005	1.1
107.05003	1.3
107.08604	4.5
109.02885	0.3
109.06496	0.3
109.10145	0.7
111.04454	0.6
112.11231	0.3
112.61397	0.4
117.07047	1.8
119.04957	0.5
119.08569	1.9
120.08092	0.5
121.06501	0.9
121.10168	2.4
125.02323	0.3
125.06009	0.6
125.09494	0.3
127.03912	0.5
129.07005	0.3
130.07761	0.3
131.11992	0.7
131.62242	0.5
133.10144	0.4
135.04424	1.8
135.08058	0.3
135.11705	8.9
137.02397	0.5
137.06029	0.2
137.11932	0.3
139.07521	0.4
139.80579	0.2
145.10141	4.8
146.12572	0.4
146.62735	0.3
147.04424	2.2
148.04727	0.3
153.01845	5.6
155.13062	0.7
155.63234	0.7
161.02368	0.5
163.03954	0.3
163.11195	12.2
171.02887	0.3
171.04300	0.2
173.02443	0.3
179.03383	0.4
181.12231	2.4
190.12283	0.2
194.19096	0.4
209.11740	0.6
213.05470	0.3
215.07176	0.4
223.21683	0.6
224.21979	0.3
227.12791	16.9
241.04942	0.6
251.08624	0.4
253.22833	0.4
259.09613	0.4
261.23126	0.4
269.04538	0.3
271.06009	0.5
273.07205	0.8
273.23267	0.3
283.15417	30.5
284.15854	0.4
286.04575	0.4
287.05508	100.0
288.05893	1.5
301.07162	0.5
311.05475	0.2
313.07324	0.3
325.13895	0.3
327.26453	1.7
328.26749	0.9
366.69705	0.4
377.14063	0.2
445.20822	0.4
454.23184	0.4
462.73218	0.6
463.08716	11.9
463.32077	1.9
464.09161	0.3
474.30905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23069	0.4
53.03950	2.8
53.08536	0.4
55.01875	3.5
55.05515	2.6
56.96560	1.4
57.03437	2.9
57.07077	1.9
59.04986	0.7
61.02932	2.2
67.01863	0.6
67.05502	4.0
68.99790	1.5
69.03075	0.8
69.03432	9.2
69.06727	0.6
69.07072	6.2
70.06595	0.5
70.09792	0.4
70.56895	1.2
71.04993	2.8
73.02917	2.1
73.06570	0.4
79.05499	1.6
81.03422	9.2
81.07064	4.0
83.01344	0.6
83.04976	0.8
83.08620	2.0
84.08112	0.4
85.02909	25.1
86.09732	0.4
87.00838	8.4
87.04471	1.0
89.06026	0.7
91.03944	1.1
91.05491	1.7
93.07050	2.5
94.66862	0.4
95.04980	0.8
95.08608	2.7
97.02898	11.3
97.06528	1.4
97.10159	2.7
98.06023	0.4
98.97579	1.1
99.04457	4.5
105.01868	8.2
105.07012	1.1
107.04972	0.7
107.08605	1.3
109.02895	8.6
109.09447	0.7
109.10161	8.4
111.11731	3.2
113.09617	0.4
115.03986	0.9
116.98658	0.4
117.01855	1.0
119.04991	0.5
119.08566	0.6
121.02856	0.4
121.06493	0.4
121.10152	1.5
123.11724	1.5
127.03922	21.0
127.11193	10.7
129.01848	0.9
129.12796	0.9
131.08531	0.5
133.10120	0.7
135.04427	2.0
135.11722	1.2
137.02313	0.5
137.13266	1.2
143.00186	0.4
145.04979	8.2
145.10190	0.5
147.02893	1.0
147.04367	0.9
149.13234	0.6
153.01816	4.3
157.10187	0.4
159.02882	5.9
159.11671	0.8
161.01062	0.5
161.02277	0.8
171.02911	0.6
175.74699	0.4
179.14204	0.6
191.17982	0.6
197.15398	0.6
205.19586	0.4
213.03999	1.3
215.07124	0.6
215.16438	8.5
231.04988	4.9
241.05000	0.5
243.15958	1.1
247.24199	1.0
259.09625	0.7
265.25369	1.6
267.09106	0.9
269.04599	0.8
269.12592	0.4
269.17520	1.6
283.26328	5.3
287.05508	100.0
288.05841	1.3
299.45428	0.4
305.10880	0.5
327.26715	0.5
332.28336	0.5
340.10291	0.6
356.97345	0.4
429.17401	0.6
434.55103	0.4
463.08868	3.7
463.14813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01868	4.0
55.05513	15.2
56.96555	3.1
57.03190	1.0
57.03443	10.5
59.05005	2.6
61.02924	2.5
63.36343	0.8
67.05511	35.5
67.52548	1.0
69.03436	8.3
69.07071	7.8
71.01365	1.4
71.04984	2.8
71.08662	1.0
71.56766	1.7
73.02919	3.1
79.05497	11.0
80.83300	0.9
81.03419	14.1
81.07063	13.4
83.04978	6.2
83.08617	6.1
85.02914	11.7
85.06561	1.7
86.05832	1.0
87.04492	1.5
89.94211	0.9
91.03947	1.8
91.05469	7.7
93.07050	7.5
95.04973	3.4
95.08614	6.4
97.02900	14.0
97.06512	2.0
97.10177	8.6
98.97595	3.9
99.04462	3.1
101.02444	1.0
103.03966	2.3
105.07035	3.7
107.04978	3.6
107.08601	9.2
109.02892	3.7
109.06538	3.4
109.10168	27.8
111.04446	3.9
111.08091	2.8
112.99213	2.1
113.00030	6.4
113.06018	2.5
116.98629	1.8
117.07024	2.9
119.08578	5.0
121.10159	3.5
125.06067	1.1
125.09636	10.9
126.60098	0.9
127.03914	4.2
129.05479	3.7
129.07077	1.1
131.00163	4.5
131.08601	2.4
133.06546	1.1
133.10138	3.1
135.04411	2.3
135.08136	1.9
135.11723	5.1
137.05959	1.3
137.09671	1.2
143.10667	1.4
145.10124	3.7
147.03075	1.4
147.11649	1.9
149.01239	5.3
149.13315	1.1
151.11145	1.0
153.01848	4.5
153.12756	3.0
155.10693	2.5
156.03610	5.0
163.11195	5.8
167.02298	0.9
169.02621	2.3
173.04474	4.4
173.09612	2.4
173.11768	9.4
180.64798	1.1
181.12236	1.7
191.10634	2.5
199.13307	2.6
199.26268	1.0
201.07617	1.3
209.11761	6.4
212.71777	1.0
224.08058	20.8
224.58110	1.1
227.10561	0.9
227.12735	4.9
229.07516	5.3
229.14366	24.1
229.16553	1.6
242.12703	1.1
244.59341	1.5
245.04692	4.0
245.10817	2.4
245.13730	2.2
247.08592	2.6
257.13876	1.1
259.20630	1.2
271.08536	1.5
277.21680	4.2
283.15405	13.9
287.05518	100.0
291.19629	2.4
292.12451	2.3
293.05392	3.1
301.07263	2.8
301.16544	4.5
305.10699	1.4
347.15332	1.8
351.25290	3.3
365.16495	1.4
427.20129	1.2
434.24844	1.0
440.00629	0.9
445.20514	6.2
463.08624	3.5
463.21869	11.1
463.27612	1.5
463.30737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
57.03339	0.2
57.86723	0.2
61.02823	0.2
67.01779	0.3
67.05402	0.5
68.99701	0.4
69.03285	0.2
69.48167	0.6
69.48577	0.8
69.93674	0.2
70.06512	0.2
79.01758	0.2
79.05418	0.2
84.04380	0.2
84.08056	0.4
85.02777	0.7
86.26326	0.2
93.06901	0.3
93.11582	0.2
95.08488	0.3
97.02785	0.4
97.06437	0.2
98.21468	0.5
107.04845	0.3
111.04376	0.5
121.09990	0.2
135.04425	1.3
135.11642	0.4
136.07474	0.2
137.02341	2.0
137.28287	0.2
145.10062	0.3
147.04283	0.5
147.77827	0.2
151.03896	3.1
151.04988	0.5
153.01826	4.9
153.12593	0.2
161.02211	0.7
163.03712	0.2
163.11032	0.7
165.01759	0.7
171.02759	0.3
175.03807	0.5
177.01749	0.5
179.03247	0.3
181.12173	0.6
191.10712	0.3
217.04956	1.4
226.06082	0.3
227.12788	1.3
241.04840	0.8
241.08540	0.3
243.03009	0.4
243.06482	1.2
258.09018	0.2
259.05948	0.5
261.03964	0.7
269.04279	0.6
270.05167	0.8
271.06015	0.7
272.06848	0.7
282.05167	0.3
283.05997	0.4
283.15414	1.5
284.06705	0.6
285.07608	0.7
286.04785	0.5
286.08453	0.7
287.05496	100.0
288.05911	1.4
295.06036	0.3
296.06769	0.3
297.07321	0.4
298.04721	4.4
299.05545	1.0
300.06287	2.0
301.07156	0.8
301.16266	0.3
309.07675	0.5
310.04733	1.3
310.08398	0.9
311.05493	2.8
312.06274	2.5
313.07056	15.4
314.07828	5.6
314.11252	0.4
324.06403	0.8
325.07056	2.9
327.08560	3.6
327.12085	0.3
328.05771	5.2
328.09335	0.4
337.07175	0.4
338.04251	0.3
338.07840	2.1
339.08707	0.6
340.05792	0.4
341.06628	0.9
343.08118	21.9
344.08737	0.3
352.05893	0.6
353.06345	0.3
353.10193	3.6
355.08224	1.2
366.07233	0.3
367.08075	4.9
373.09207	2.1
379.08252	0.4
381.09583	1.5
385.09293	0.4
397.09103	3.2
409.09250	2.2
427.10327	7.0
445.11316	13.4
463.12677	28.7
464.12772	0.7
471.05737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
55.01867	0.2
57.03416	0.4
61.02915	0.4
67.01868	0.5
67.05507	0.4
68.99803	0.3
69.03410	0.3
69.37851	0.4
69.38253	1.1
70.06589	0.3
73.02911	0.3
75.11975	0.2
79.05476	0.4
81.03418	0.4
81.07061	0.3
83.05003	0.2
84.08131	0.3
85.02926	0.9
86.09710	0.2
91.05464	0.3
93.07070	0.3
97.02877	0.3
97.06551	0.2
98.21479	0.3
107.04951	0.4
109.02843	0.4
111.04391	0.2
117.03354	0.4
131.00122	0.2
135.04413	1.6
135.11717	0.3
137.02342	0.5
145.10139	0.2
147.04391	0.6
149.05995	0.3
151.03847	0.9
153.01839	4.7
161.02309	0.7
163.11191	0.4
165.01854	2.0
167.03297	0.3
171.02870	0.3
175.04012	0.2
177.01921	0.2
181.12317	0.3
183.03033	0.2
189.05588	0.2
191.10709	0.3
195.02896	0.3
217.05005	0.2
227.12756	0.2
241.04974	0.6
245.04613	0.3
259.05975	0.3
259.08508	0.2
269.04468	0.4
270.05215	0.6
271.06009	0.6
282.05225	0.8
286.04535	0.3
287.05499	100.0
288.05820	1.4
296.06741	1.5
297.07623	0.5
298.04706	3.2
300.06183	1.0
301.07162	0.8
301.16492	0.3
310.04648	0.6
310.08331	0.5
311.09146	0.9
313.07071	16.3
314.07761	0.9
320.06705	0.2
324.06290	1.5
325.07016	0.9
325.10715	0.4
327.08575	0.3
328.05780	2.4
336.06332	0.3
337.06979	0.3
338.07870	1.0
339.04868	0.3
339.08615	2.4
343.08105	13.4
344.08353	0.3
348.06418	0.6
353.10147	2.6
363.08670	0.5
364.05743	0.3
366.07239	0.3
367.08121	7.0
376.05554	0.3
379.08124	1.8
381.09570	0.3
391.08087	1.3
394.06885	0.5
397.09180	4.4
409.09229	3.4
409.18335	0.2
427.10306	4.1
445.11261	2.9
463.08051	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
52.37074	0.1
53.03925	0.2
54.08314	0.1
55.01850	0.2
55.05495	0.4
57.03431	0.3
57.18985	0.1
61.02910	0.2
67.05474	0.7
69.03403	0.6
69.07043	0.2
70.06562	0.3
70.80942	0.4
70.81288	0.2
79.05470	0.4
80.05023	0.2
81.03413	0.3
81.07021	0.5
83.04958	0.4
83.08585	0.2
84.08131	0.2
85.02894	0.7
90.45422	0.2
91.05476	0.4
93.07037	0.2
95.04942	0.2
95.08597	0.2
97.02859	0.3
97.06501	0.6
99.04407	0.2
107.04932	0.3
109.02847	0.2
109.10159	0.4
110.09718	0.2
111.04377	0.2
119.04932	0.3
120.08116	0.2
121.10135	0.2
123.08080	0.2
126.39330	0.2
131.11975	0.3
131.62144	0.4
135.04393	0.4
135.11656	0.2
137.02332	0.2
146.12520	0.2
147.04424	0.8
153.01831	1.3
155.13036	0.6
155.63174	0.3
163.11188	0.2
172.06006	0.2
173.02249	0.2
223.21603	0.2
229.04980	0.2
229.14285	0.3
253.22989	0.2
258.05249	13.9
259.05786	0.2
259.09683	0.2
261.23196	0.3
263.24521	0.2
283.15384	0.2
286.04721	34.0
287.05493	19.7
301.07062	100.0
302.07401	1.4
327.26407	0.7
328.26669	0.6
366.69937	0.3
445.26022	0.3
462.73279	0.3
463.13547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46112	0.1
53.21838	0.1
54.66894	0.1
55.05501	0.1
61.02906	0.1
67.01854	0.5
67.05505	0.1
68.99797	0.3
69.72619	0.6
70.06580	0.2
79.05490	0.3
79.72482	0.1
81.07055	0.1
84.08134	0.5
85.02876	0.2
86.09686	0.1
89.03947	0.1
90.89950	0.1
91.05500	0.1
95.08586	0.2
97.02813	0.1
105.03419	0.2
107.04909	0.2
107.08594	0.2
109.02871	0.1
111.04433	0.1
117.34830	0.1
127.03862	0.2
135.04410	1.7
137.02347	0.5
147.04379	0.4
153.01830	4.7
155.13077	0.1
161.02354	0.5
163.11169	0.2
171.02873	0.1
179.03406	0.2
199.06277	0.1
227.12782	0.3
228.13785	0.2
237.14383	0.3
237.64587	0.3
241.04974	0.4
246.14919	1.5
246.65013	1.1
247.15160	0.2
263.08167	0.2
269.04391	0.3
283.15500	0.2
287.05493	100.0
288.05792	1.3
324.11386	0.3
343.10855	0.1
444.27875	0.2
455.43607	0.1
463.08713	3.8
463.15152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0873
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
61.02911	0.2
67.01867	0.5
68.99814	0.3
69.76435	1.1
80.46971	0.2
84.08147	0.5
117.03350	0.2
135.04405	1.5
137.02351	0.5
153.00574	0.2
153.01837	4.9
161.02321	0.4
163.11179	0.2
171.02916	0.2
184.07346	0.2
203.03368	0.2
241.04916	0.5
259.06039	0.2
266.36877	0.2
269.04373	0.2
287.05508	100.0
288.05847	1.3
329.91080	0.2
401.01166	0.2
445.29108	0.3
463.08743	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	462.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.8
55.05266	3.2
55.05515	50.0
56.96564	4.1
57.03429	3.3
59.04982	9.3
62.70292	2.5
67.05508	94.2
69.03415	6.8
69.07069	15.9
71.01350	2.8
71.04992	3.1
71.58235	3.0
73.02917	4.7
74.92453	2.4
79.05494	15.3
81.03415	10.1
81.07052	19.0
83.04980	7.2
83.08632	20.1
85.02901	20.2
86.87529	2.7
87.04459	9.9
91.05502	15.9
93.07043	12.0
95.04962	4.5
95.08594	13.2
97.02872	5.8
97.06516	3.1
97.10179	38.6
103.03934	3.6
105.07063	4.7
107.04993	2.9
107.08610	12.8
109.10159	80.5
111.08089	5.3
117.07048	5.4
119.08578	11.6
121.10138	5.0
123.08026	4.4
125.09647	43.7
131.08501	5.2
135.08057	2.9
135.11684	6.0
136.93121	5.6
137.09604	8.6
143.10701	6.2
145.10112	10.0
153.12766	5.1
154.94202	7.3
155.10689	16.4
157.12221	4.1
163.11205	17.7
168.95766	15.2
172.95256	8.3
173.11740	100.0
181.12300	3.2
186.96799	35.7
187.13303	20.1
191.10698	7.7
199.13237	2.9
204.97844	15.1
209.11708	9.8
209.98389	5.4
224.98424	6.9
227.12737	6.2
228.97873	2.8
242.99304	6.5
287.05502	9.7
406.17307	5.6
448.18506	7.7
462.20688	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	462.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01875	6.5
55.05514	56.8
57.03440	6.1
57.07065	1.8
57.86018	1.4
59.05008	6.6
65.03949	2.4
67.05508	96.3
69.03416	4.8
69.07081	8.6
69.15753	1.1
70.07376	1.3
70.88322	2.8
71.01342	2.3
71.05000	5.8
73.02929	2.9
79.05495	16.6
81.03429	8.9
81.07059	27.0
83.01377	1.1
83.04991	6.0
83.08623	25.9
85.02908	20.3
85.06535	1.4
87.04475	9.9
91.05478	13.5
93.07046	9.9
95.04974	3.5
95.08623	13.0
97.02913	3.4
97.06546	3.2
97.10173	47.0
103.03954	3.1
105.07050	4.2
107.04981	3.0
107.08617	16.4
109.06509	2.7
109.10162	86.9
111.04472	2.8
111.08086	5.3
117.07014	3.7
118.92089	1.6
119.08613	7.9
121.10153	4.7
123.08057	2.4
125.09640	49.8
129.06979	1.5
131.08524	3.4
135.08018	1.6
135.11734	5.7
136.93141	1.8
137.09599	5.1
143.10727	6.7
145.10126	9.4
150.94557	1.6
150.95601	4.6
153.12781	7.1
154.94170	2.0
155.08597	1.9
155.10664	17.3
157.12279	4.5
163.11191	18.9
168.95761	4.1
172.95233	2.7
173.09546	3.6
173.11748	100.0
181.12212	4.8
186.15005	2.1
186.96832	11.0
187.13335	11.7
191.10669	5.4
199.13268	4.4
203.12735	1.8
204.97902	5.3
206.03531	1.4
209.11725	16.3
209.98372	2.1
223.13280	2.0
224.98357	1.4
227.12791	10.5
228.97780	1.4
242.99565	2.4
287.05493	4.9
330.76392	1.4
411.77997	1.3
430.17609	1.3
448.18512	3.9
462.20663	5.8
462.29156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39849	0.5
56.96555	0.7
59.06673	0.5
60.04527	1.6
61.02937	0.8
67.05505	1.0
69.03448	2.9
69.07063	0.9
69.18316	0.5
69.22150	0.6
69.22456	6.0
70.06593	4.6
71.04994	1.1
72.08158	2.4
81.03411	1.4
81.07048	0.9
84.04494	1.6
84.08145	12.1
85.02904	6.2
85.08479	2.5
86.09715	2.8
87.04478	2.1
89.06038	85.5
91.05445	1.5
93.07059	0.7
95.04994	1.0
97.02907	2.1
98.09719	1.3
98.97604	1.3
99.09999	0.6
105.07036	1.0
107.07069	1.3
109.02908	0.7
118.95200	0.5
119.04950	1.5
126.09148	2.2
127.03960	1.1
127.09512	0.9
129.10254	0.7
132.06592	1.0
133.08617	36.7
135.08084	0.7
136.07549	0.8
145.04941	0.9
147.04393	4.0
159.09167	0.8
163.03900	0.7
177.11237	15.1
195.12291	3.3
199.11279	0.6
221.13791	1.1
223.07230	0.6
239.14922	3.0
247.13173	0.8
252.91711	0.5
265.14218	2.9
283.17532	100.0
284.17770	0.8
287.05472	1.1
355.56866	0.6
366.24646	1.2
384.25797	1.3
402.26718	0.8
426.26614	0.9
444.22076	1.0
444.27924	14.0
461.70459	0.6
462.24158	0.6
462.29071	7.1
484.15341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87590	0.7
55.05508	2.1
56.05039	6.3
60.04537	2.7
67.05500	2.8
69.03429	1.4
69.07071	1.5
70.06592	3.9
71.56950	1.1
72.08141	1.2
79.05496	2.0
80.05044	1.6
81.07065	2.0
82.06583	2.9
83.04998	0.9
84.04497	0.8
84.08146	100.0
85.02917	1.4
85.08492	2.0
86.06073	1.1
86.09709	15.6
87.05618	1.6
87.09981	0.8
91.05486	2.4
93.07043	1.9
94.06599	2.3
95.08612	1.4
96.08110	4.1
97.08920	2.8
98.06094	0.9
98.09693	4.9
98.97586	1.3
105.07041	1.5
107.08587	1.0
108.08111	1.2
108.74830	0.8
109.10128	0.9
110.09671	10.3
114.09183	2.9
120.08099	1.0
122.09702	2.7
123.10460	2.7
124.11255	2.2
126.09179	3.4
128.10687	0.8
130.05051	0.8
131.08656	1.0
133.10254	0.7
134.09654	1.0
136.07585	1.7
136.11211	4.3
148.06099	1.3
148.11203	0.9
150.12811	1.2
158.99730	0.8
168.13898	3.7
173.12897	5.3
178.15936	1.7
201.12350	4.5
204.17543	3.0
222.18706	0.9
234.18561	2.4
236.20096	36.9
237.02837	1.4
237.20554	1.4
243.10867	2.1
246.00610	0.8
254.21167	13.4
259.21860	2.4
261.14542	4.6
263.87949	0.6
264.19614	4.0
275.21036	1.2
278.21252	2.4
283.23822	2.1
287.21268	5.5
293.22195	3.9
295.23853	1.8
296.22272	5.3
305.22375	1.2
306.20718	2.5
309.21909	1.5
311.05692	1.6
314.23343	12.8
323.23389	2.1
324.21671	1.5
325.24985	1.7
327.26251	0.8
341.24005	0.8
343.25934	0.8
347.23407	1.1
355.25790	1.0
358.22482	1.1
365.24283	6.2
373.26984	1.6
383.20767	1.5
383.25418	14.3
401.26511	7.6
425.26419	6.6
429.25989	1.0
443.27527	47.0
444.28073	0.8
461.18829	2.8
461.28549	89.1
462.28857	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	461.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
56.05042	4.9
60.04535	1.8
61.81913	0.6
63.89241	0.6
67.05511	2.7
69.81937	3.4
70.06606	0.9
77.49187	0.6
79.05503	1.8
80.05024	0.9
81.07061	1.4
82.06591	1.0
84.04486	0.7
84.08151	89.8
86.09705	4.5
91.05485	2.7
93.07034	1.4
94.06595	0.9
95.08613	0.9
96.08160	3.4
97.08929	1.5
98.09677	4.3
107.08656	1.0
108.08134	1.1
110.06064	0.9
110.09692	7.0
114.09169	2.1
119.08582	1.5
122.09703	2.5
123.10472	2.1
124.11266	1.6
126.09174	2.7
135.67897	0.6
136.11243	5.4
148.11189	0.8
150.12781	3.3
154.12291	2.8
160.11263	0.8
164.14362	0.9
176.14465	1.8
178.15872	0.9
188.14378	1.0
190.12289	1.0
190.16061	0.8
192.13800	0.6
196.13205	0.7
203.86937	0.6
204.17500	2.3
215.13988	0.7
216.17529	1.9
222.18739	0.9
234.18631	1.9
236.20012	0.8
251.21277	2.3
254.41441	0.7
259.21820	1.0
263.21112	1.3
264.19644	2.7
266.21249	1.0
269.20145	1.0
275.21198	11.3
278.21143	1.2
287.21237	4.7
288.19702	0.9
293.22250	39.8
305.22305	1.2
306.20654	2.5
311.05566	0.7
311.23322	5.9
323.23413	1.8
324.21622	1.8
347.23267	1.8
365.24429	2.6
371.25482	3.4
383.25443	12.4
401.26617	4.6
425.26620	1.1
443.27594	16.8
444.27716	0.9
461.28616	100.0
462.29001	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	461.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47709	0.4
55.05524	1.2
56.05035	5.5
60.04526	6.1
67.05507	1.9
68.05041	0.7
69.03432	0.5
69.07061	0.6
70.06590	1.9
70.68949	0.8
70.69281	0.8
71.60271	0.4
72.04533	2.3
76.68936	0.4
79.05498	2.5
80.05032	1.4
81.07056	2.2
82.06591	1.3
84.04510	1.1
84.08147	93.9
85.02901	0.7
86.06079	0.7
86.09721	1.1
90.05560	1.2
91.05474	1.9
93.07053	1.5
94.06590	1.3
95.08610	1.1
96.04504	0.7
96.08139	1.4
97.08908	1.8
98.09710	6.8
105.07072	0.8
106.06573	0.7
107.08608	0.7
108.08129	1.2
110.06075	0.8
110.09689	5.3
114.05531	1.2
114.09144	2.6
115.41589	0.5
117.07035	0.7
119.08601	0.7
120.08158	0.6
121.10132	0.6
122.09672	1.9
123.08091	0.6
123.10471	1.1
124.11280	1.5
126.09173	7.7
131.08609	0.8
132.06555	4.9
134.09679	1.5
134.86044	0.6
135.10490	0.6
136.11218	3.7
137.12048	0.6
142.12259	3.2
145.10109	0.7
148.11211	1.0
150.12769	1.4
154.12315	1.0
160.11224	0.9
162.12769	0.7
164.14418	0.9
172.11209	0.6
172.13380	1.9
174.12766	0.7
176.14378	1.2
178.12379	0.6
184.13367	0.6
188.14384	0.8
190.12341	1.7
190.15944	2.1
197.93755	0.5
204.17491	1.5
208.13446	0.9
208.17024	0.9
209.11726	0.6
216.17343	0.6
217.11749	0.6
222.18658	0.8
226.14439	1.2
234.18539	2.0
236.19984	0.5
244.15335	0.6
246.18539	1.2
251.21199	0.6
252.19722	0.8
257.20084	0.8
259.21799	0.6
263.21259	1.0
264.19632	0.9
268.15054	0.5
269.20221	1.0
270.18671	0.8
275.21179	4.4
287.21246	2.2
288.19608	2.2
293.22260	8.3
293.25287	0.9
300.18063	0.6
305.22229	1.0
306.20874	0.8
323.23410	1.7
324.21515	0.7
329.22293	1.3
341.24484	1.1
347.23373	2.9
353.24445	1.7
365.24374	10.8
371.25549	1.4
383.25449	13.1
401.26492	4.9
425.26370	2.1
443.21045	0.9
443.27557	35.8
461.28595	100.0
462.28842	2.1
469.01962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
56.05040	6.1
56.96555	1.6
58.06586	2.5
60.04528	0.9
69.07072	7.1
70.06586	4.5
71.56561	1.3
72.07751	1.7
72.08156	35.3
73.04048	1.5
74.06078	12.2
84.04508	11.3
84.08147	14.6
85.02914	1.7
86.09706	100.0
91.05486	6.0
92.49629	0.9
98.09663	1.1
98.97633	1.2
101.07138	13.4
102.05555	5.6
108.08138	1.2
110.07153	0.9
110.09661	3.0
112.07629	1.0
116.07028	0.8
119.04948	7.0
120.06583	0.9
126.09174	1.2
127.56290	0.8
128.10716	8.1
129.06606	1.1
129.10257	5.2
130.04988	4.5
132.10197	0.7
147.04404	22.9
147.07652	1.8
148.04846	2.0
148.06047	9.4
155.11783	1.3
158.99693	1.1
161.01192	1.7
162.07600	0.8
167.07013	1.0
168.98227	1.0
172.94388	0.8
172.96959	0.8
173.12868	47.9
185.16505	1.7
187.10837	1.6
197.12904	1.1
199.18062	1.0
201.08621	1.4
201.12344	31.7
215.13928	3.2
229.11908	1.0
239.02277	2.4
243.13437	5.0
247.12967	1.3
260.16110	0.9
261.14450	62.1
269.18549	1.8
293.21954	0.8
314.20761	7.6
333.03058	1.0
342.20566	0.9
365.24316	1.1
383.25473	2.2
395.06442	1.4
413.07813	1.1
443.20645	0.7
443.27435	5.5
461.16003	2.5
461.28760	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	461.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57176	0.5
53.03951	0.7
53.44259	0.4
55.01878	0.7
55.05503	1.7
56.04810	0.6
56.05040	5.6
56.96574	0.5
57.03445	0.8
60.04531	9.6
67.05509	1.8
68.34565	0.5
69.03432	1.0
69.07069	1.0
70.06597	5.0
71.13781	1.2
72.04518	4.0
72.08163	5.8
73.02919	0.6
74.06094	0.8
74.55628	0.5
79.05489	2.5
80.05020	1.6
81.03419	1.1
81.07068	3.4
82.06580	1.2
84.04518	3.4
84.08147	99.8
85.02921	3.0
85.08466	0.8
86.06056	0.9
86.09279	0.8
86.09718	8.3
87.04452	0.6
89.06043	2.5
89.19276	0.5
90.05549	2.9
91.05466	2.8
93.07043	2.0
94.06569	1.6
95.04983	1.0
95.08612	1.4
96.04488	1.0
96.08135	2.0
97.02896	1.2
97.08910	1.1
98.06059	0.8
98.09703	10.0
98.97591	1.5
102.05552	1.5
105.07033	1.5
106.06573	0.8
107.04961	0.7
107.08593	1.0
108.08071	0.8
109.06515	1.2
110.06062	1.3
110.09704	4.2
112.20092	0.5
114.05540	3.1
117.07027	1.1
119.04962	0.9
119.08606	1.3
120.08112	1.2
122.09656	1.4
123.10453	1.5
124.07642	0.6
124.11217	1.1
125.06008	1.3
126.09158	18.2
127.03973	0.7
129.10274	1.0
131.04935	0.7
131.08601	1.4
132.06577	12.1
133.08620	1.3
133.10112	0.7
134.09682	1.2
136.07643	0.6
136.11284	1.9
137.05965	0.7
142.12303	1.0
143.08604	0.6
145.10182	1.0
146.09698	0.8
147.04443	2.1
147.08058	0.6
150.12770	1.2
150.91924	0.5
151.03995	0.7
151.56847	0.5
158.99600	0.6
163.03934	0.7
164.14442	0.6
166.12225	0.7
167.07120	1.0
173.13037	1.1
176.14322	0.9
177.05518	1.0
186.12776	0.6
190.12317	3.0
190.15916	1.7
201.12289	2.5
204.17497	1.0
208.13394	1.9
208.16852	1.3
213.07672	2.0
215.10091	0.6
215.13953	1.0
219.13322	0.7
226.14354	2.0
229.11842	1.0
232.16956	0.5
233.11414	1.0
234.18520	1.9
237.02748	0.6
244.15424	5.4
246.18613	0.9
247.13127	1.3
252.19647	0.8
257.20160	0.9
261.14444	1.0
263.21124	1.0
264.19751	0.7
268.15466	0.7
270.18619	0.7
275.21182	1.4
283.17453	3.0
286.16473	5.6
287.21240	1.6
288.19659	1.8
305.22290	0.9
323.23361	1.8
329.22067	0.9
347.23389	2.1
365.24399	8.1
383.25409	12.6
401.26541	2.4
407.25580	2.9
425.26450	8.2
443.27557	100.0
444.27814	1.6
461.28592	50.8
462.28711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
55.05519	13.3
57.03418	5.4
60.20913	1.3
61.02913	1.6
62.55349	1.3
64.57293	1.3
67.05177	2.4
67.05505	31.9
69.03416	5.1
69.07076	9.1
69.48603	11.3
71.04960	2.3
73.06531	1.9
78.69068	1.6
79.05490	44.3
81.03430	12.2
81.07059	25.7
83.04976	9.5
83.08610	3.4
85.02917	8.4
85.06525	1.9
91.05478	37.2
93.07046	52.9
95.04967	11.0
95.08604	14.9
97.02880	3.5
97.06535	4.5
97.10135	3.4
98.97576	1.5
99.04469	2.2
105.04527	2.4
105.07029	25.4
107.04949	5.7
107.08601	11.7
109.02850	4.8
109.06511	5.2
109.07268	1.3
109.10174	3.9
115.05486	2.2
117.06988	5.8
118.06512	1.6
119.08579	16.3
121.06480	3.6
121.10144	4.5
123.08059	5.0
127.03916	22.7
128.06242	2.6
129.06979	10.9
131.08559	3.6
133.10092	8.2
135.08051	1.8
135.11638	2.0
143.08553	7.8
145.10144	9.8
147.04417	3.0
147.08008	2.7
147.11682	31.6
151.07553	10.1
159.11703	1.8
161.09608	6.2
161.13266	9.7
161.14424	1.5
163.11247	2.0
165.09209	1.8
171.11678	21.5
177.09143	3.4
179.14215	1.5
189.12782	13.6
191.10681	9.3
205.12248	4.6
207.13797	55.1
225.14757	2.8
230.15527	2.0
236.47501	1.5
281.17480	100.0
315.10895	1.6
333.16849	2.1
351.18088	11.2
369.19501	2.3
443.27545	1.6
461.28702	4.9
478.82016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.05498	4.6
57.03430	4.1
67.05509	15.3
69.07061	3.6
69.41294	8.5
79.05069	1.4
79.05496	21.5
81.03400	3.8
81.07064	13.3
83.05006	5.9
83.08605	2.5
85.02901	2.4
91.05489	17.2
93.07054	21.0
95.04981	3.8
95.08612	9.1
97.06532	1.9
97.10150	1.9
98.20776	1.7
105.07045	12.8
107.04990	1.1
107.08596	6.5
109.06485	2.2
109.10163	1.8
110.50265	1.2
111.08106	1.2
117.06992	4.3
119.08593	6.5
123.08025	1.3
127.03947	1.1
129.06979	3.7
133.10129	3.7
143.08560	1.7
145.10121	2.8
147.11707	11.0
161.13263	3.5
171.11703	8.9
189.12752	2.7
207.13791	7.2
281.17487	100.0
347.13452	1.1
443.22360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05518	10.1
56.91560	1.5
57.03432	6.2
67.05506	24.3
69.03406	3.8
69.07053	6.5
70.50512	2.1
70.50867	4.9
73.02910	2.2
79.05494	30.5
81.03412	7.1
81.07059	21.9
83.04964	7.0
83.08610	3.6
85.02903	5.9
85.06532	4.2
86.03031	1.8
91.05474	25.1
93.07044	32.2
95.04973	9.8
95.08608	13.1
97.06517	3.3
97.10136	2.8
98.97556	2.4
103.16817	1.8
105.07043	17.7
107.04941	3.2
107.08598	7.8
109.06508	2.2
109.10154	3.8
113.00029	2.1
117.07002	3.1
119.04902	2.8
119.08575	9.6
121.10159	4.4
123.08097	3.1
123.11686	1.8
129.06990	6.9
131.08578	3.3
133.10147	4.2
143.08533	4.8
145.10126	2.8
147.04417	4.9
147.08055	2.0
147.11691	14.7
161.09636	2.3
161.13231	4.9
169.02623	1.8
171.11676	11.7
175.03046	2.1
189.12747	3.1
207.13756	8.6
213.14650	11.5
241.14108	7.6
250.09703	3.8
271.06039	8.7
275.20319	2.2
281.17496	100.0
331.12244	11.0
331.62573	2.5
349.23590	2.9
357.18726	3.1
375.19946	19.1
417.20950	48.1
461.19925	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.7
55.01876	10.5
55.05513	23.0
57.03439	11.6
57.07079	4.6
59.04998	3.4
60.04527	2.0
61.02939	8.8
67.05521	10.4
68.99794	4.2
69.03435	69.9
69.06723	2.9
69.07074	43.6
69.50991	11.3
70.06588	1.8
71.04998	13.6
71.76918	1.7
73.02934	12.3
74.06079	2.8
79.05488	7.8
81.03428	55.7
81.07063	29.9
82.97514	1.4
83.04997	13.7
83.08625	8.6
84.08154	2.2
85.02910	100.0
85.06544	20.4
86.09735	2.1
87.00838	39.8
87.04480	3.5
91.03969	2.7
91.05483	7.1
93.07061	12.0
95.04963	2.7
95.08613	37.4
97.02905	31.3
97.06530	10.6
97.10176	13.7
98.20757	2.6
98.97577	2.1
99.04453	22.2
99.08103	28.2
101.02403	2.0
103.03959	2.5
105.01878	25.4
105.07022	3.8
107.08603	25.1
109.02888	56.0
109.06550	2.4
109.10163	19.5
110.98587	1.5
111.08073	4.1
111.11735	10.5
113.09645	12.1
117.01881	6.2
119.04962	3.4
119.08653	2.0
121.10154	32.3
122.90339	1.7
123.11709	10.4
125.09644	10.7
127.03925	97.6
127.11160	2.4
129.01854	9.3
133.10062	2.1
135.11713	13.6
137.12219	2.1
137.13260	14.8
139.11197	11.5
145.04971	34.4
147.02921	5.4
147.04405	10.9
148.04799	1.6
149.13268	5.4
151.14835	4.8
153.12750	17.5
157.12305	2.0
159.02904	34.2
169.04770	2.1
177.03986	2.4
177.16403	77.0
189.04007	2.6
195.17462	86.1
213.03951	3.8
213.18520	86.3
231.05028	22.9
233.15002	3.5
255.19379	1.6
271.06003	2.6
281.10080	1.7
285.07471	2.9
327.26416	3.6
411.39822	1.8
425.21469	2.4
461.24319	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	461.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28715	4.0
63.11044	4.2
63.45556	4.6
67.05534	4.3
70.96423	9.7
116.60084	5.2
118.92085	6.8
134.79459	4.5
136.93111	15.6
150.94598	6.0
150.95677	7.3
153.57140	5.5
168.95766	21.2
172.95270	8.8
177.29266	4.6
186.96791	34.8
204.97870	14.4
210.96779	5.1
224.98421	7.0
242.99478	12.4
397.05972	4.6
405.17279	7.2
447.18234	10.8
461.20584	100.0
461.30844	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98213	0.9
55.01861	1.2
55.05503	3.2
57.03432	2.6
67.01624	0.9
67.05507	8.4
69.03422	2.0
69.07062	2.5
71.28467	1.5
74.27576	0.8
79.05498	10.5
81.03429	3.0
81.07057	10.6
83.04989	2.5
83.08612	1.8
85.02912	2.3
85.06532	1.9
91.05489	9.9
93.07053	10.6
95.04958	3.6
95.08611	6.6
97.02872	1.7
97.06518	2.2
97.10146	1.0
98.97601	1.4
105.07053	5.9
107.08540	4.4
109.10173	2.1
112.99997	1.0
117.07024	1.4
119.08576	3.6
120.08081	0.8
121.06544	1.1
121.10159	1.7
125.09607	1.3
127.03914	2.2
128.43222	0.9
129.07018	2.0
130.48700	1.0
131.08574	0.9
133.10143	2.4
143.08521	1.5
145.10172	2.3
147.04408	4.0
147.11668	5.4
149.13225	1.2
151.07661	1.0
152.52483	1.0
161.09595	1.1
161.13293	1.0
171.11711	3.4
177.16360	2.1
189.00635	0.9
189.12733	2.3
207.13861	1.7
213.14645	10.8
241.14130	7.6
250.09648	1.8
271.05911	4.6
281.17474	35.4
306.22607	0.9
331.12228	7.1
357.18839	3.3
375.19916	22.4
384.81461	1.1
389.27185	1.3
417.20944	63.2
418.21472	1.3
443.22507	2.3
461.19943	100.0
462.20969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74334	0.5
55.01870	0.7
55.05520	2.3
56.96552	0.7
57.03432	1.5
61.02925	0.7
62.83212	0.4
64.43284	0.4
65.03956	0.5
67.01614	0.6
67.05217	0.5
67.05508	5.0
69.03419	1.0
69.07056	1.9
69.84459	1.3
69.84869	1.0
70.06584	0.5
71.04985	0.7
73.02917	0.8
79.05494	6.8
81.03411	1.7
81.07060	4.8
83.04977	1.4
83.08615	1.4
85.02914	1.6
85.06550	0.8
91.05485	5.5
93.07059	4.9
95.04955	1.7
95.08616	3.6
97.02891	1.1
97.06537	1.7
97.10181	0.9
98.97588	1.5
103.05486	0.6
105.07026	3.2
107.04977	0.9
107.08622	2.3
109.06528	1.2
109.10149	1.0
113.00010	0.6
113.48424	0.5
116.98565	0.7
117.07063	1.2
119.04932	1.7
119.08588	1.6
121.06530	0.6
121.10150	1.0
123.08053	0.9
127.03941	0.8
129.07069	1.0
131.00168	0.9
131.08572	0.6
133.10123	1.7
135.11668	0.8
137.09708	0.5
145.10143	1.1
147.04414	2.1
147.08113	0.7
147.11690	2.7
149.01225	0.7
149.09702	0.5
153.01854	2.2
156.03693	0.7
159.02968	0.4
159.11711	0.6
161.13283	1.2
163.03990	0.8
171.11676	1.9
207.13757	0.9
211.13226	0.6
213.14644	8.2
219.75508	0.5
241.14098	7.3
250.09607	2.8
255.15985	0.5
259.09760	0.6
267.09052	0.7
269.12341	0.8
271.06036	46.5
272.06491	0.7
275.20044	1.5
281.10764	0.9
281.17490	12.6
285.10193	0.8
306.58658	0.5
327.26389	1.2
331.12292	12.5
331.62439	1.8
341.19601	0.9
349.23740	3.2
357.18936	3.1
375.12625	0.8
375.19922	23.9
417.20972	44.3
461.19971	100.0
462.20264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1083
Annotation	Apigenin 7-O-glucuronide methyl ester
Peak:m/z	Relative Intensity
55.01888	0.1
56.05037	0.2
56.96539	0.1
60.04535	0.2
67.01850	0.4
67.05494	0.2
68.99807	0.2
69.03407	0.1
69.07066	0.1
69.77561	0.3
69.77968	0.2
70.06578	0.5
70.42020	0.1
72.08158	0.2
73.92378	0.1
79.05510	0.1
81.03408	0.3
81.07053	0.3
83.08617	0.1
84.08124	0.1
85.02895	0.5
86.09692	0.3
89.38486	0.1
91.05482	0.7
91.15107	0.1
93.07030	0.2
95.04979	0.1
95.08598	0.2
97.02885	0.2
97.06547	0.3
98.97539	0.2
99.04383	0.1
105.07053	0.2
107.08574	0.1
109.02870	0.1
109.10170	0.1
111.04425	0.1
112.11324	0.1
119.04939	1.9
120.08067	0.2
121.02856	0.7
121.10132	0.1
123.11679	0.1
127.03892	0.1
129.01788	0.1
131.08511	0.1
133.10098	0.1
145.02859	0.5
147.04393	0.7
147.11728	0.1
153.01831	4.1
163.03949	0.3
171.02898	0.3
171.11458	0.1
187.03940	0.2
193.12198	0.1
225.05472	0.2
229.05022	0.3
243.06494	0.2
257.04535	0.2
259.09677	0.1
271.06012	100.0
272.06296	1.0
276.12662	0.1
293.07278	0.1
293.24982	0.1
315.26364	0.3
327.26682	0.2
334.62418	0.1
461.10626	1.0
461.30029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1083
Annotation	Apigenin 7-O-glucuronide methyl ester
Peak:m/z	Relative Intensity
51.51074	0.1
55.01868	0.2
55.05505	0.4
55.16341	0.1
56.96562	0.1
57.03426	0.2
60.04507	0.5
60.71528	0.1
65.08411	0.1
67.01859	0.3
67.05502	0.6
68.99803	0.2
69.03419	0.2
69.07066	0.3
70.06567	0.3
70.36415	0.4
71.04981	0.1
72.08153	0.1
75.69632	0.1
78.73222	0.1
79.05506	0.6
81.03395	0.2
81.07056	0.6
83.04964	0.3
83.08621	0.2
85.02894	0.4
85.06516	0.1
91.05476	0.6
93.07037	0.5
94.06553	0.1
95.04947	0.2
95.08607	0.3
97.06511	0.3
98.06042	0.1
98.97543	0.2
105.07027	0.3
107.04953	0.1
107.08587	0.2
109.06493	0.1
111.00770	0.1
111.08082	0.2
114.53473	0.1
117.07040	0.1
119.04968	1.7
119.08616	0.2
121.02893	0.6
121.10156	0.2
131.08617	0.1
133.06424	0.1
135.11659	0.1
145.02840	0.4
147.04401	0.7
153.01836	4.1
163.03947	0.5
171.02863	0.4
177.16347	0.2
187.03905	0.1
193.12227	0.1
195.17598	0.1
197.06061	0.1
211.13252	0.1
225.05446	0.4
229.04994	0.3
243.06549	0.2
251.12556	0.1
259.09573	0.1
267.09106	0.2
269.12433	0.2
271.06021	100.0
272.06339	0.8
275.20361	0.1
285.10187	0.2
290.20929	0.1
327.26517	0.2
344.24344	0.2
349.23666	0.2
388.26947	1.3
389.27252	0.3
417.20844	0.2
442.31476	0.2
443.32440	0.2
460.32404	0.7
461.10718	1.9
461.20624	0.6
461.27344	0.1
461.33105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63796	0.9
55.05513	6.1
56.05028	1.5
56.96585	1.0
57.03416	2.9
59.05009	5.1
60.04527	2.1
61.02910	1.3
69.03421	4.2
69.04534	1.0
69.07072	7.1
70.06254	0.9
70.06599	11.2
71.56776	1.0
72.08158	100.0
73.02907	3.7
73.06562	10.1
73.08484	1.5
74.02416	1.7
74.06065	1.2
75.05609	14.4
81.03416	1.7
81.07099	1.3
83.06061	1.2
84.04486	3.0
84.08150	11.2
85.02911	6.0
85.08472	1.5
86.09708	80.3
87.04442	0.9
87.05588	1.4
87.10020	1.6
88.03980	2.8
90.65411	1.2
91.05481	2.6
95.82214	0.9
97.02882	3.4
98.06081	1.2
98.09695	1.5
98.97543	1.5
100.63172	1.1
107.04985	0.9
110.07188	1.4
115.03951	1.4
116.07121	1.2
117.03394	1.2
117.09142	1.3
118.00087	1.2
120.08086	1.1
127.03906	3.0
129.10245	83.6
130.06577	1.7
131.10683	1.9
134.04509	5.1
136.07558	1.6
141.10251	1.1
143.11801	68.9
145.04938	1.4
149.11734	12.3
157.09738	35.0
158.99699	1.0
160.07596	1.2
171.11304	31.2
177.05507	2.1
181.09674	1.9
183.11320	1.4
185.16541	1.2
186.12447	2.6
187.14377	2.4
197.12782	1.2
197.16515	4.2
200.13901	1.7
214.11919	2.0
215.14067	1.5
219.01790	1.6
225.15926	2.1
228.13449	30.1
229.11743	1.0
229.15268	1.2
233.11362	8.6
246.14520	1.9
247.12973	2.1
252.17206	1.5
272.12408	1.2
281.19775	3.8
282.17969	1.3
290.13416	10.2
297.08054	1.0
299.20767	41.0
302.19620	1.0
309.19000	1.0
327.20297	22.7
442.22238	6.6
460.27032	5.9
461.28949	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	459.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01866	6.1
55.05508	19.8
57.03439	27.5
57.07064	11.6
61.02930	69.8
67.05505	33.9
68.82067	3.2
69.03436	27.4
69.07059	28.3
71.01341	5.2
71.04985	3.5
71.08608	2.9
71.57303	2.8
73.02924	29.4
79.05480	25.6
81.03430	17.2
81.07063	41.2
83.04977	4.1
83.08617	28.0
85.02903	69.0
85.06530	3.3
87.04433	2.8
91.03957	48.9
91.05473	8.3
91.99968	3.9
93.07038	34.8
95.08598	21.7
97.02898	65.8
97.06532	21.9
97.10165	11.1
99.04453	8.4
101.02359	9.9
103.03913	14.6
105.07019	3.0
107.08596	25.9
109.02852	7.4
109.10155	21.1
110.01276	3.1
111.08088	3.9
115.03918	7.0
119.08572	4.2
121.10145	42.3
123.11720	17.7
127.03916	24.1
129.05489	15.4
135.11694	36.9
137.13248	4.5
145.04947	11.1
147.06494	4.4
149.13248	12.5
149.93275	2.9
183.06516	9.8
201.07635	8.3
205.19508	50.4
223.20558	34.4
277.48535	2.7
297.24219	100.0
332.30109	3.3
441.28195	10.9
444.72522	3.1
459.29507	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	459.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73367	0.3
53.05533	0.3
66.02596	0.3
69.41231	2.7
75.81182	0.3
89.34869	0.3
94.64780	0.4
95.08614	0.4
217.37372	0.3
302.64340	0.4
324.01321	0.3
347.20770	0.3
413.01050	0.5
441.25195	1.6
459.27173	100.0
460.27554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
52.65981	0.8
53.03946	2.9
53.82992	0.7
55.01881	4.3
55.05515	9.6
56.96566	1.6
57.03438	5.8
57.07074	1.6
58.49828	0.8
65.03934	1.2
67.05507	12.7
69.00300	0.9
69.03418	3.7
69.07076	6.8
71.04984	1.6
71.56544	1.2
73.87299	0.9
79.05492	11.5
81.03419	15.7
81.07063	12.5
83.04974	3.8
83.08640	4.1
85.02911	2.0
85.06570	0.9
91.05486	13.8
93.07049	10.6
95.04980	9.6
95.08595	7.9
97.02930	2.0
97.06509	1.5
97.10171	3.0
98.97606	2.5
103.05484	1.6
105.07030	12.0
107.04955	5.2
107.08603	6.7
109.02897	2.8
109.06499	2.1
109.10156	3.4
111.04438	3.4
113.00028	2.4
113.14915	0.9
115.05457	4.0
116.06255	1.3
116.98598	1.2
117.07002	7.4
118.07838	1.1
119.04934	1.4
119.08582	7.7
121.06497	2.8
121.10136	3.4
123.04414	2.0
123.08087	0.9
125.09643	1.8
127.03875	1.2
128.06218	5.4
129.07001	12.7
130.07779	1.5
131.04938	1.8
131.08588	11.7
133.06479	3.5
133.10104	4.7
135.08069	1.3
135.11732	1.9
135.63506	0.8
141.06976	9.6
142.07829	5.3
142.82675	0.9
143.04863	0.8
143.08546	13.2
144.05713	1.3
145.06473	5.2
145.10112	8.2
147.04425	1.0
147.08034	2.3
147.11700	2.3
149.06055	1.1
149.13274	2.1
152.06197	1.4
153.07022	5.6
154.07838	4.8
155.08562	17.9
157.06468	4.8
157.10141	10.0
158.07295	1.6
159.08061	4.7
159.11699	4.6
161.05936	1.9
161.09647	1.1
163.07506	1.0
165.06964	5.5
165.09193	1.0
166.07776	3.6
167.08559	11.5
168.09328	4.4
169.02711	1.2
169.06522	2.3
169.10126	15.7
170.07323	2.1
171.08037	6.8
171.11690	7.0
173.09639	3.5
173.13304	2.9
175.07602	1.3
175.11255	1.2
178.07768	2.1
179.08536	6.6
180.09344	2.4
181.06534	3.0
181.10141	12.8
182.07343	2.0
182.10904	1.9
183.08069	8.2
183.11714	11.8
184.08839	1.0
185.09663	5.2
185.13278	4.0
187.07556	2.6
187.11201	2.1
189.09213	1.5
191.08611	1.3
192.09312	1.9
193.10136	5.7
194.10922	1.0
195.08011	7.6
195.11716	9.1
196.08852	4.1
197.09592	8.6
197.13287	6.3
198.10417	1.1
199.07565	1.2
199.11278	3.8
199.14864	2.0
201.09167	1.7
201.12929	1.3
205.10184	2.3
206.10924	2.2
207.11667	4.4
208.08896	1.7
208.12563	1.0
209.09647	6.9
209.13220	6.1
210.10437	3.3
211.11192	8.7
211.14848	2.8
211.25885	1.0
213.09286	1.7
213.12769	3.6
215.10707	1.4
215.14233	1.4
218.11005	1.2
219.11710	2.4
221.13306	3.0
223.11198	6.1
223.14783	2.2
224.12021	2.1
225.12846	6.4
227.10690	1.2
227.14362	1.6
229.12344	1.3
233.13359	1.1
235.14874	1.9
237.12733	3.5
238.13654	1.4
239.14345	3.4
241.12320	1.5
243.13739	1.4
251.14285	2.1
251.17874	0.9
253.15826	1.0
255.13850	1.3
255.17429	1.2
257.15457	1.1
257.19009	1.1
273.18600	1.6
280.26260	0.9
293.15582	1.2
293.19003	1.6
303.21014	1.0
307.20627	2.1
309.22095	1.2
311.20050	1.1
311.23492	1.1
321.22177	4.0
325.21735	3.7
331.20618	1.8
337.21793	2.5
339.23306	7.0
341.81625	0.9
347.22198	4.1
349.21539	14.5
357.23965	1.3
367.22681	26.1
385.23874	7.4
399.25635	1.7
411.25330	1.4
415.24350	1.3
423.25284	5.2
429.26285	7.8
441.26376	100.0
442.26764	1.8
455.16196	1.0
459.27411	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	459.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05031	3.0
57.03428	0.4
57.45067	0.3
59.66308	0.4
61.62851	0.4
67.05501	0.9
69.03424	0.8
69.39602	2.5
70.06584	1.0
72.08143	0.9
72.52481	0.4
79.05488	1.1
80.05006	1.4
81.03414	0.7
81.07065	1.0
82.06569	0.9
83.04985	0.5
84.08146	100.0
85.02887	0.5
85.08472	0.4
86.09721	1.9
91.05479	0.6
93.07068	0.6
94.06560	0.8
95.08587	0.5
96.04435	0.8
96.08131	0.5
97.08942	0.5
97.86796	0.5
98.09713	1.4
98.20769	0.6
105.07032	0.8
107.37074	0.4
109.06515	0.7
110.09686	1.7
114.09122	0.5
119.04920	0.5
119.08505	0.5
120.73612	0.4
122.09780	0.5
124.11247	0.6
126.09157	26.5
133.10132	0.4
136.07513	0.4
136.11229	0.6
147.04430	0.8
178.12361	0.5
183.67212	0.4
194.11827	0.7
214.14429	1.4
219.60785	0.4
236.20087	1.7
246.14876	1.9
257.20120	0.4
259.21747	1.1
260.14728	0.5
264.19693	0.7
264.81555	0.5
274.16559	0.4
275.21283	1.5
276.19623	0.9
277.22699	0.5
293.22260	1.5
295.23871	0.5
301.22873	0.9
313.25079	0.4
316.17636	0.8
317.22388	0.7
335.23279	3.5
337.25003	2.3
339.22699	0.8
353.24319	1.0
363.22745	0.9
381.23700	3.8
399.24954	2.8
417.26089	0.8
423.24768	2.4
423.32983	0.9
441.25983	67.4
442.26175	0.6
459.18124	1.4
459.27103	7.9
459.35138	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	459.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.05040	5.8
60.04523	0.8
67.05502	1.2
68.04985	0.5
69.36227	4.4
70.06577	1.3
72.04556	0.7
74.86610	0.5
79.05484	1.2
80.05022	2.3
81.07066	1.5
82.06587	1.6
84.04494	0.8
84.08147	86.0
86.09710	0.9
91.05441	0.9
93.07030	0.8
94.06586	1.9
95.08595	1.0
96.08132	3.6
97.08906	1.8
98.09695	2.5
102.05553	3.2
108.08120	0.8
110.09689	9.8
114.09176	2.3
120.08131	1.2
122.09680	1.4
122.38804	0.5
123.10446	1.4
124.11230	2.1
126.09178	2.4
129.21594	0.6
134.09598	0.9
136.11234	2.1
138.12767	0.8
146.09647	0.5
148.11211	0.6
150.12776	0.9
162.12820	1.6
174.12843	0.5
176.14334	0.7
178.12309	2.0
178.15903	0.9
208.54147	0.5
214.14369	1.0
236.20117	4.0
247.21657	0.8
248.20229	1.2
254.21227	0.7
257.20062	2.5
259.21710	6.8
264.19553	1.5
275.21152	5.8
277.22766	2.7
285.19675	1.4
293.22305	5.0
295.23920	4.5
301.22809	4.0
311.23398	1.0
317.22290	1.5
327.20840	1.1
335.23322	0.8
337.24835	12.8
337.28705	0.8
339.22690	3.9
353.24243	0.8
357.23865	1.1
363.22980	1.0
371.25366	0.7
381.23868	17.9
399.24881	7.9
417.26019	0.8
441.19931	1.1
441.25983	16.6
459.27048	100.0
460.27460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01884	3.4
55.05504	9.2
56.96541	2.4
57.03432	4.1
57.07059	3.1
61.02931	2.3
66.93764	1.8
67.05511	21.0
69.03435	15.3
69.07074	12.6
69.23172	1.8
70.06587	4.9
70.16242	7.0
71.04993	5.2
72.08164	3.1
79.05491	7.7
81.03434	8.8
81.07059	30.5
83.04987	10.6
83.08616	7.1
85.02908	22.1
85.06548	5.1
86.09705	5.5
87.00839	8.4
91.05474	8.6
93.07069	14.3
95.04953	5.2
95.08617	37.0
95.39598	2.3
97.02896	7.0
97.06539	6.3
97.10163	3.9
98.21395	2.9
99.04494	4.5
99.08110	4.6
99.51759	1.9
105.01878	8.4
105.07047	15.8
107.05012	2.1
107.08601	26.4
109.02896	6.6
109.06543	9.4
109.10159	92.0
111.04443	2.3
111.08063	3.7
116.06072	1.8
119.04971	2.3
119.08593	40.8
120.08105	2.2
121.02843	3.1
121.10153	15.1
123.08053	13.7
123.11746	10.6
125.09625	3.7
127.03916	12.5
133.10146	20.7
134.84344	1.8
135.11697	93.7
137.09618	16.5
145.04974	5.0
147.04428	9.8
147.11702	11.9
149.13261	10.6
151.11220	11.5
151.14809	12.0
153.12785	2.0
159.02858	3.5
165.12740	5.1
165.16370	4.0
175.14838	42.4
191.14308	2.1
193.15900	69.8
211.16943	100.0
229.14380	4.4
267.15927	2.4
316.49225	2.1
367.17575	6.1
441.21320	3.4
441.27393	2.8
459.21927	8.3
459.31488	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69876	0.8
53.03944	1.7
55.01862	1.1
55.05511	7.5
57.03437	2.6
57.07075	1.0
59.04984	2.0
60.69732	0.9
67.05505	14.4
69.03433	9.3
69.07068	10.7
69.34785	6.8
69.81560	0.8
71.04987	3.1
71.08646	1.0
79.05474	4.4
81.03419	5.1
81.07059	15.5
83.04977	7.6
83.08636	5.1
85.02907	11.6
85.06552	4.1
87.00849	5.3
87.21947	0.8
91.05488	2.8
93.07053	4.9
95.04986	1.8
95.08613	27.5
97.02904	3.1
97.10175	1.5
99.04482	1.7
99.08084	3.0
105.01884	3.5
105.07028	5.8
107.08604	15.4
109.02879	4.0
109.06502	7.6
109.10159	78.2
111.08080	2.2
113.09664	2.5
119.08588	25.4
121.10135	8.7
123.08080	8.8
123.11698	6.9
125.09637	1.2
127.03905	8.4
127.11199	1.1
133.10133	15.4
135.11696	72.2
137.09628	14.3
139.11200	2.1
145.04994	2.7
147.04480	1.2
147.11836	0.9
149.13266	6.1
151.11172	7.5
151.14828	8.2
153.12741	2.0
159.02931	1.8
165.16422	1.9
175.14841	35.4
193.15891	40.5
195.17464	1.4
211.16936	100.0
212.17307	1.7
231.04893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	10.8
59.55541	1.8
61.02924	2.8
65.89683	2.1
69.03416	5.7
70.06588	8.9
70.59135	2.0
71.56276	2.9
72.08176	2.3
73.02919	4.2
78.02499	1.9
81.03439	2.0
83.60514	1.7
84.08131	5.6
85.02899	14.5
86.09731	3.1
91.05480	2.7
97.02922	9.5
98.97591	35.3
100.00092	4.8
101.00885	5.7
105.33606	1.8
109.02905	3.1
110.97559	7.7
110.98232	1.8
113.00857	2.6
116.07088	5.0
116.98626	11.7
118.01127	4.7
119.01948	9.7
119.04968	10.4
123.05477	2.0
127.03930	4.9
128.98628	5.4
129.10220	4.0
131.00197	2.4
131.01910	6.8
132.92966	2.0
133.03447	3.4
134.99625	4.6
137.05978	34.3
138.98230	1.8
142.01141	4.6
143.00128	3.7
143.01894	10.5
145.03448	7.2
145.04932	5.4
146.99614	4.5
147.03250	2.2
147.04408	36.5
148.04834	2.2
149.02936	2.2
152.05728	3.6
155.01877	8.2
156.02695	5.0
157.03464	3.7
158.99663	19.2
160.02145	6.4
161.01208	3.8
161.02965	17.4
161.06035	2.3
168.02701	4.9
170.99661	7.0
172.02138	4.2
173.02959	10.6
174.03682	3.3
177.00739	18.7
177.03964	4.4
178.01192	3.8
181.03436	8.0
184.02127	2.7
185.03023	4.2
186.03795	3.3
186.59846	2.2
189.00703	8.8
194.04245	2.3
195.01640	2.6
195.05112	16.1
196.02220	14.0
197.03004	4.0
199.04645	2.3
202.03340	2.1
203.04001	9.8
205.03471	3.2
207.01711	3.7
216.02773	2.3
218.04207	3.5
219.01785	15.7
219.05046	27.7
221.04988	12.9
222.03764	6.8
223.04590	5.2
226.03233	2.6
231.05063	8.5
235.04576	3.6
236.05318	4.1
236.98932	2.5
237.02785	16.4
237.06107	21.6
239.02271	12.5
240.04724	3.5
244.04298	100.0
245.04941	2.5
246.03767	7.1
247.04604	5.3
249.02951	4.5
249.06113	6.6
252.04855	2.3
255.03825	10.0
257.03329	5.4
259.04565	7.7
261.06104	17.0
262.05359	7.9
264.04813	16.1
265.05475	3.4
267.07336	3.9
273.08539	2.1
276.04800	2.1
279.00351	2.9
279.03888	42.4
279.07184	16.8
291.04001	3.2
291.07156	7.5
297.04959	8.4
297.08047	4.0
300.04752	5.7
307.06619	15.3
309.05127	2.4
309.08282	6.0
320.07141	2.5
321.08167	16.7
336.06848	8.2
339.05908	4.0
339.09543	2.8
348.06891	70.2
349.07486	5.3
351.09296	3.5
357.00931	3.5
363.09232	34.2
366.07867	8.2
369.10425	2.1
381.05542	4.3
381.10342	86.9
395.06155	3.9
399.11401	87.0
404.11722	2.4
413.07602	11.9
417.12289	5.9
459.13834	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04214	0.2
55.01884	0.4
56.96562	0.3
57.03434	0.4
60.86739	0.2
64.20101	0.2
69.03434	1.2
69.79923	1.3
70.06594	60.6
72.08168	0.4
73.02905	0.7
81.03410	0.3
81.69572	0.2
85.02902	3.3
86.09715	0.4
87.05592	0.2
89.46183	0.2
91.03949	0.3
91.96265	0.2
94.06568	3.6
96.05688	0.3
97.02891	1.1
98.21407	0.3
98.97607	1.1
99.04432	0.3
109.02889	0.3
110.97604	0.3
111.89076	0.2
116.07095	100.0
116.98598	0.5
117.07449	0.5
127.03901	1.7
128.98608	0.2
129.10173	0.4
132.02115	0.2
133.03477	0.5
138.05522	0.9
143.01880	0.5
144.02022	0.2
145.04948	1.2
146.99657	0.3
147.04375	0.4
148.04742	0.3
153.03929	0.2
157.03510	0.3
158.99660	0.8
161.02962	0.9
163.02719	0.2
170.99606	0.3
173.02995	0.6
176.01105	0.3
177.00705	0.5
178.03493	1.1
183.04994	0.4
185.02965	0.5
187.04492	0.3
187.10757	0.3
189.00720	0.4
191.03831	0.5
196.04575	3.2
200.04517	0.4
200.07655	0.4
203.03897	0.3
203.10310	0.5
217.05540	0.4
219.01747	0.4
220.04594	4.3
220.06697	0.5
221.04971	0.3
226.59097	0.6
229.07465	0.2
232.04538	0.6
237.02722	0.5
237.06042	0.3
239.11263	0.4
245.05005	0.9
250.05667	0.6
258.83038	0.3
261.02762	0.3
263.06091	0.3
273.08102	0.8
277.60629	0.4
278.05066	0.8
278.07913	0.5
279.03732	0.9
281.07092	0.9
286.61237	0.7
287.05841	0.4
287.61963	0.4
296.06122	0.3
296.09052	0.5
308.05972	0.3
314.15909	0.7
326.15811	0.4
332.17114	0.5
362.18085	0.3
368.09174	0.3
398.20038	0.3
425.11255	0.3
426.11392	0.3
458.11880	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	457.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96560	0.2
57.05771	0.3
64.32376	0.3
65.65711	0.3
69.03430	0.5
69.56538	1.8
70.06596	7.0
72.08157	0.6
73.02919	0.3
74.06066	0.3
74.06676	0.2
80.05014	0.3
81.03408	0.4
82.06570	0.7
84.04518	0.4
84.08163	1.8
85.02940	0.6
86.09716	0.6
91.05479	0.8
94.06559	0.4
96.08129	2.3
97.02882	1.0
98.09694	100.0
98.72018	0.2
98.97598	0.3
99.10049	0.4
102.05526	0.3
110.09692	2.1
112.11209	0.4
119.08633	0.2
120.08136	0.4
121.02888	0.4
129.10266	0.4
133.02853	0.4
142.03406	0.3
163.03952	0.8
182.04745	0.6
191.05302	0.7
191.08218	0.3
196.83629	0.2
208.90236	0.3
219.01718	0.4
244.15442	0.2
247.03979	0.4
249.24120	0.3
254.06868	0.5
254.57045	0.3
261.05603	0.5
263.07349	6.6
263.57489	6.5
264.07614	1.8
265.05139	0.7
266.05304	0.3
276.61499	0.2
279.06482	0.4
289.04816	0.5
294.05042	0.3
295.06036	0.7
307.05978	1.2
308.06647	0.4
325.03644	0.8
325.07141	2.2
325.24869	0.7
337.07233	1.0
351.08752	0.7
367.25769	2.6
379.08264	1.6
391.08322	0.4
397.26929	0.7
403.08313	0.6
409.09253	0.5
415.28186	0.3
421.09286	0.7
439.10251	0.7
456.66815	0.3
457.11801	1.6
457.29129	31.9
458.29855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03989	0.8
55.05500	2.3
56.49517	0.8
58.53014	0.9
67.05523	2.3
69.03442	5.5
69.07050	1.4
70.25758	0.9
71.01138	1.9
79.05495	5.1
81.03390	1.6
81.07068	5.5
83.04971	1.7
85.02895	1.8
87.00844	1.2
91.05482	4.7
93.07050	1.5
95.08603	1.7
97.02865	1.0
105.01839	1.4
105.07028	7.5
107.04934	2.4
107.08601	16.6
109.02850	1.5
109.06520	3.5
109.10183	5.3
115.05448	1.3
117.06998	1.4
118.44221	1.0
119.08598	2.2
121.06452	1.5
121.10159	9.2
122.07311	4.7
127.03870	2.9
131.08583	1.8
133.10136	100.0
135.08058	7.8
135.11681	1.5
137.09625	53.6
147.11676	1.6
149.13263	9.0
161.09660	1.7
163.14825	3.1
173.13272	5.4
191.14322	53.3
209.15378	3.4
457.20328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56451	2.2
51.84161	2.3
57.07061	2.7
58.53441	2.4
67.05502	3.8
69.03440	13.2
69.07061	7.7
69.52320	19.0
71.04973	4.9
77.46855	2.3
79.05499	2.9
81.03407	5.5
81.07046	8.2
83.04968	9.3
83.08611	3.6
85.02885	9.2
87.00813	5.7
93.07050	6.9
95.04949	5.1
95.08621	18.7
97.02905	4.6
97.06510	3.9
99.08101	5.7
101.23357	2.5
103.05441	5.3
105.07024	9.4
107.08598	31.3
109.02880	6.4
109.06536	7.0
109.10176	18.0
119.08520	3.6
121.06520	3.8
121.10142	39.9
123.08031	4.3
125.09635	11.3
127.03905	6.4
131.04926	4.9
131.08574	3.8
133.10144	19.2
134.90131	2.4
135.08061	12.4
135.11693	5.3
137.09644	18.1
139.11198	2.8
147.11676	7.6
149.09604	9.3
149.13258	20.8
151.11191	83.4
159.03046	3.0
163.14810	15.7
165.12755	7.4
173.13243	14.7
191.14319	87.9
209.15379	100.0
209.17352	5.8
285.28113	2.6
327.26398	5.6
389.14856	4.2
457.14392	7.5
457.30734	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03947	2.1
55.01870	1.8
55.05515	1.5
57.03444	1.5
57.07095	0.4
59.04998	0.4
61.02915	1.1
67.05508	2.1
68.99793	1.0
69.03075	0.7
69.03432	10.3
69.07078	1.6
70.06580	0.4
71.01355	0.3
71.04995	1.9
71.21709	0.8
73.02928	1.5
79.05510	2.0
81.03425	11.1
81.07048	3.7
81.78030	0.3
83.04996	1.9
83.08620	0.6
85.02910	14.7
86.09698	0.6
87.00832	6.2
87.04542	0.4
91.03960	0.7
91.05489	2.8
93.07063	3.3
95.04960	2.2
95.08612	3.0
97.02905	5.8
97.06535	0.9
97.10204	0.5
98.97607	0.9
99.04462	4.5
99.08099	0.7
100.13412	0.3
103.05491	0.5
105.01878	3.3
105.07036	13.6
105.54553	0.3
107.04936	0.6
107.08607	5.8
109.02895	6.4
109.06525	5.8
109.10165	3.1
111.04428	0.4
113.02421	0.6
117.01873	1.4
117.07028	0.8
119.04965	0.5
119.08604	3.7
121.06495	1.0
121.10148	9.6
122.07334	1.7
123.08080	3.0
123.11684	3.0
127.03933	9.1
127.04812	0.3
129.01855	0.7
131.08571	1.3
133.06474	1.5
133.10147	10.8
135.08070	1.2
135.11684	0.9
137.09619	10.9
137.13229	0.7
138.71597	0.4
138.79900	0.4
141.01857	0.7
141.07040	0.3
143.07024	0.6
143.08559	1.1
145.04961	3.4
145.10146	1.2
146.07243	0.5
147.02890	0.5
147.04422	1.4
147.08043	0.4
147.11691	1.5
149.09637	4.8
149.13245	4.4
151.11194	46.6
158.10950	0.4
159.02893	3.1
159.08145	0.5
161.09613	8.4
163.11191	1.1
163.14796	0.5
165.12764	29.1
166.13057	0.4
171.07996	0.7
173.08127	0.6
173.13300	1.1
179.10712	1.0
184.07419	0.4
189.09137	3.2
191.14323	4.9
193.15878	6.5
207.10217	0.7
209.15376	100.0
210.15712	1.0
219.01761	0.5
231.04944	1.3
235.13155	0.5
253.14360	1.0
263.12769	1.7
281.13879	2.4
311.26950	3.4
319.11679	0.5
337.12729	0.9
365.12546	0.7
371.13406	0.6
389.15094	0.4
457.16483	1.8
457.23889	6.7
457.30493	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49253	1.0
53.03942	4.5
55.01876	3.4
55.05505	7.7
56.05856	1.2
56.96568	1.4
57.03427	2.2
57.07074	2.4
59.05001	1.1
61.02922	2.2
67.05502	4.6
68.99775	1.6
69.03431	10.2
69.07070	7.6
69.36785	5.1
69.37213	4.0
70.06593	6.7
71.04996	4.8
72.08147	1.7
73.02924	2.5
79.05497	17.0
81.03429	11.9
81.06575	2.3
81.07061	39.7
83.04984	3.9
83.08635	7.0
84.08122	1.8
84.96120	1.1
85.02430	1.9
85.02907	22.1
85.06552	3.5
86.09709	3.5
87.00830	8.5
87.95802	1.0
91.05473	7.4
93.07040	11.9
95.04973	6.6
95.08601	7.1
97.02897	7.7
97.06544	6.6
99.04459	5.9
99.08160	1.3
100.11279	9.6
100.93442	1.1
101.11593	8.1
102.11917	2.0
105.01891	4.8
105.07030	17.7
107.08606	14.8
109.02887	9.7
109.06523	100.0
109.10166	9.1
111.04488	1.4
111.08076	3.1
115.03909	1.6
116.07141	1.0
117.01851	1.7
117.07031	2.9
119.08607	6.5
120.08109	1.2
121.06498	2.1
121.10146	9.1
123.08030	5.7
123.11686	4.0
125.09665	1.2
125.13284	1.4
127.03928	15.5
129.01814	1.6
130.02859	1.1
131.00125	1.2
131.08577	17.5
133.10141	62.9
135.08070	15.0
135.11725	1.7
137.09651	1.8
139.07555	1.6
139.10043	1.0
139.11121	2.7
143.08630	2.9
145.04955	4.7
145.10138	5.0
147.02895	1.2
147.11678	6.5
149.09650	4.7
149.13260	4.7
151.07526	2.6
151.11198	2.0
153.09099	7.3
158.10925	3.7
159.02864	3.4
161.09662	2.6
163.14789	2.1
165.12839	1.4
167.14334	3.1
171.11652	1.1
173.13269	31.9
174.06703	1.1
175.14880	1.2
183.15752	2.3
189.09198	2.5
191.14317	74.9
209.15353	41.1
210.16928	2.2
211.15326	2.4
211.17137	2.2
213.15764	1.3
226.19266	1.2
231.05025	3.3
246.14934	1.7
246.42923	1.4
275.24811	1.4
302.38062	1.2
356.88904	1.1
425.19125	3.0
438.34146	3.3
439.19928	1.8
439.34308	2.2
456.35205	13.4
457.21487	2.6
457.30481	1.5
457.35645	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	457.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01860	3.7
55.05501	3.7
57.03434	4.1
57.07065	0.9
61.02921	1.6
65.03934	0.8
67.05499	3.9
68.99784	1.0
69.03085	1.1
69.03438	17.4
69.07068	2.5
70.06590	2.1
70.54073	2.0
70.54442	1.9
71.01352	2.8
71.05005	9.3
72.08125	1.0
73.02901	3.7
79.05494	8.7
81.03427	13.6
81.07070	6.4
83.04975	3.9
83.43362	0.8
84.08137	1.8
85.02421	1.7
85.02910	21.9
86.09739	4.9
86.10189	0.8
87.00835	5.9
87.04459	0.9
91.05485	17.1
93.07042	11.7
95.01328	3.9
95.04968	3.4
95.08624	5.4
96.54208	1.0
97.02892	9.4
97.06515	1.4
98.21432	0.8
98.97581	2.9
99.00795	1.2
99.04462	17.7
103.03964	1.0
103.05451	2.6
105.01852	3.0
105.07037	96.3
107.04967	3.1
107.08610	12.8
109.02879	6.9
109.06535	9.0
109.10142	5.3
113.02348	3.0
115.05457	1.7
117.07036	4.3
119.04964	4.9
119.08589	13.2
121.06498	5.1
121.10159	16.8
122.07301	1.9
123.08103	5.6
123.11681	3.2
127.03927	10.9
128.06252	2.6
129.07004	2.9
131.04956	1.3
131.08560	7.2
133.06528	10.1
133.10139	81.8
135.08067	2.5
135.11690	2.7
137.05988	1.0
137.09616	17.4
137.13248	1.4
141.01833	6.9
141.06975	1.5
143.07050	6.6
143.08595	7.3
145.04965	2.8
145.10152	7.4
146.07259	3.3
147.04425	11.9
147.08069	3.2
147.11646	1.9
149.09618	6.5
149.13246	6.0
151.07524	5.6
151.11191	37.9
155.08575	2.2
157.10106	1.2
158.85518	0.8
159.02859	4.5
159.06873	0.9
159.08046	5.1
161.09631	78.7
162.10023	2.1
163.03816	1.2
163.11201	8.4
163.14743	1.1
165.06963	1.2
165.09117	0.9
165.12767	34.4
171.08060	6.2
173.05937	1.0
173.08104	8.4
173.09645	2.7
173.13226	2.1
179.10695	8.2
181.10101	1.3
183.08006	2.0
184.07347	1.9
185.09535	1.7
187.07533	2.5
189.09119	27.9
191.14310	10.8
193.15880	4.9
197.09642	1.0
199.07564	2.1
199.11253	1.7
201.05598	1.1
201.09146	1.7
207.10165	9.5
209.15379	100.0
210.15636	1.6
211.11130	1.5
213.09155	1.4
213.15816	0.9
215.06996	1.8
217.12212	0.9
227.10632	1.5
229.08673	1.2
231.04979	2.2
235.13225	3.2
237.02518	1.4
237.09055	1.3
239.10693	3.7
244.10986	1.8
244.92564	0.9
245.08218	1.0
245.11641	1.0
253.14351	14.0
255.10251	2.3
263.12823	15.2
273.11255	3.0
275.24847	1.4
281.13852	25.2
283.09598	2.4
293.25839	1.3
295.18973	0.9
301.10599	5.1
309.09634	1.4
311.26917	17.3
319.11694	3.3
329.10202	1.6
337.12790	5.0
347.11197	1.5
365.12476	5.4
389.14780	1.5
421.14954	1.0
439.16129	1.7
457.16928	8.1
457.23999	74.2
457.30527	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	457.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03944	0.7
53.65344	0.6
55.01870	2.5
55.05505	2.9
56.05065	0.8
56.96566	1.1
57.03439	3.7
64.90968	0.5
65.03927	0.6
67.05505	3.1
69.03429	5.8
69.07071	2.0
70.06594	2.3
71.01356	2.2
71.04993	8.0
71.38725	0.6
71.57224	0.9
72.08147	1.0
73.02922	1.4
75.04451	0.5
79.05492	6.4
81.03431	2.1
81.07043	4.1
83.01323	0.6
83.04974	1.1
83.58765	0.5
84.04459	0.7
84.08147	1.3
85.02899	7.3
86.06075	0.8
86.09716	1.8
87.04436	0.5
91.05480	15.1
93.07046	8.3
94.06556	1.1
95.01334	2.4
95.04975	2.1
95.08607	3.3
96.08130	0.8
97.02906	4.2
97.06534	1.6
97.08936	1.6
98.97591	1.3
99.00868	0.7
99.04460	16.9
103.03970	1.4
103.05488	1.9
105.01853	0.9
105.07034	100.0
106.07362	0.8
107.04951	2.0
107.08601	5.7
108.08103	0.8
109.02905	1.2
109.06514	3.0
109.10152	1.6
110.05960	0.7
110.09686	1.9
113.02374	1.6
115.05469	1.4
116.07090	0.8
117.07027	2.0
119.04948	7.6
119.08588	10.1
120.08112	0.8
121.06516	5.3
121.10155	2.4
123.08084	2.4
127.03920	1.6
128.06201	2.7
129.07034	1.5
130.00520	0.6
130.07785	1.0
131.04886	1.0
131.08571	5.8
133.06511	11.3
133.10136	69.4
135.08054	1.6
135.11684	1.9
137.05963	1.2
137.09668	1.0
141.01807	5.9
143.07050	5.6
143.08566	7.8
145.04990	1.0
145.06433	1.1
145.10143	6.2
146.07240	3.3
147.03250	1.5
147.04416	24.1
147.08035	2.3
147.11685	1.3
149.05965	1.3
149.09573	1.4
151.07553	5.4
151.11163	2.1
153.06882	0.7
155.08571	0.8
157.10172	1.1
159.02914	1.0
159.08060	2.9
159.11736	0.9
161.09624	79.3
162.10013	1.1
163.03883	0.7
163.11185	8.9
171.08049	3.9
171.11746	0.6
173.08162	8.6
173.09625	1.7
173.13326	1.8
174.06757	0.7
175.07474	0.7
175.11284	1.0
177.09084	0.7
179.10674	9.1
181.10019	0.8
185.09639	1.4
187.07539	0.8
187.11194	0.9
189.09114	30.2
191.14330	2.4
199.07600	0.8
199.11258	0.6
201.03656	0.8
201.09151	0.7
207.10158	9.8
209.09697	1.0
209.15382	2.0
211.11151	0.9
211.15320	0.6
212.16475	2.0
213.16789	2.4
217.08664	1.1
223.21664	1.1
225.11171	1.3
227.10707	1.3
235.13190	3.8
237.09023	0.7
239.10785	1.5
244.10954	0.8
250.21642	1.3
251.08543	0.7
253.14346	17.6
253.22668	0.7
255.10217	0.7
257.11798	0.6
258.22122	0.8
263.12811	14.1
270.16956	0.9
271.17383	0.9
273.11258	1.6
275.24829	3.6
281.13852	25.5
283.09500	1.7
288.17926	1.1
289.18384	1.7
291.08704	0.8
293.25864	2.7
295.11676	0.7
301.10657	1.9
309.09769	1.4
309.13190	0.9
311.26941	39.5
319.11856	3.4
329.10202	1.1
337.12857	5.7
347.11243	1.2
365.12314	6.0
413.17770	0.9
439.15912	1.7
439.28693	1.9
457.16736	14.0
457.23846	12.7
457.30438	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	456.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01874	4.4
55.05510	17.9
56.05053	2.7
56.96561	4.5
57.03434	9.2
57.07064	5.2
58.05050	2.7
59.05004	44.5
61.02904	3.4
67.05508	24.0
68.05023	5.9
69.03427	8.9
69.07063	12.7
70.06246	3.4
70.06605	46.2
71.04990	9.9
71.57590	3.1
73.02908	3.1
79.05499	37.5
79.38747	2.3
81.03413	9.9
81.07069	27.6
83.04990	6.0
83.08633	13.4
84.04480	4.4
84.08152	3.5
85.02912	11.5
85.06548	4.6
86.06065	3.5
86.09706	11.0
87.04475	10.8
91.05487	24.8
93.07047	34.6
95.04950	8.4
95.08607	30.4
97.02892	7.1
97.06541	22.0
97.10171	13.5
98.97574	8.6
100.07600	5.3
103.05477	6.7
105.07031	16.4
107.08612	19.7
108.08105	4.7
109.02865	3.4
109.06518	9.4
109.10175	16.5
111.08096	11.6
112.99101	3.4
114.05532	11.9
115.11199	4.7
116.07089	19.9
117.07017	6.9
117.09142	5.3
119.04924	2.7
119.08595	27.7
120.08132	4.3
121.06505	4.6
121.10139	23.7
123.08073	6.3
123.11715	4.1
125.09638	10.1
127.03951	7.1
128.07095	12.1
130.08627	2.8
131.04947	8.6
131.08566	11.0
133.10133	18.3
135.08067	7.3
135.11688	5.9
137.09587	4.6
142.08675	3.5
145.10136	11.0
147.04393	4.6
147.08044	6.0
147.11685	6.6
149.09615	7.9
149.13194	3.8
157.10207	7.2
159.11694	6.7
161.09647	4.9
163.03914	4.5
163.11240	3.4
164.10704	4.3
166.08592	3.6
171.11691	4.7
175.11195	5.7
176.10722	7.8
184.07265	4.0
189.11273	7.0
191.16440	18.4
193.12285	8.0
194.11823	4.1
211.13232	6.2
221.15411	4.5
225.14845	20.8
237.18460	8.6
239.16437	9.4
247.17027	4.4
259.09631	2.9
263.20099	3.6
265.18018	7.8
267.09161	4.3
269.12418	5.7
270.12570	8.0
273.18561	6.2
279.19342	5.2
280.19061	7.9
284.14258	3.3
285.10028	6.1
291.19614	8.5
297.08289	3.2
297.20618	12.1
302.15237	3.5
303.11578	3.0
323.22162	6.2
326.19635	11.4
327.26367	3.9
336.21786	4.6
338.23331	14.3
394.25922	3.3
406.25848	6.2
420.27240	4.1
424.26978	100.0
438.28745	81.6
456.14142	3.4
456.23297	6.4
456.29727	79.0
457.30573	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	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	1.6
55.05501	1.4
56.96574	0.8
57.03419	2.4
57.07076	15.8
59.05003	100.0
61.02914	1.6
67.05496	1.8
68.99799	1.1
69.03429	9.3
69.07070	1.1
69.20522	6.3
70.06604	1.1
71.04989	1.6
73.02913	1.9
79.05500	1.3
81.03420	6.7
81.07047	2.2
83.04940	0.7
83.31508	0.6
85.02911	22.1
85.06539	0.8
86.06059	1.3
86.09689	0.7
87.00838	8.4
91.03943	0.8
91.05499	3.2
93.07038	1.5
95.04990	0.7
95.08605	2.4
97.02888	5.5
97.06553	1.1
97.10163	0.8
98.97603	1.7
99.04459	3.0
101.09638	0.8
103.05465	1.3
105.01870	7.4
105.07011	0.9
107.08563	1.0
109.02895	6.4
115.11213	29.6
116.10686	0.6
117.01804	1.1
117.06973	1.0
117.09135	2.5
119.08609	1.0
120.08109	1.1
121.10178	0.8
127.03924	9.9
129.01836	0.8
131.04950	3.6
133.10130	1.6
137.05994	1.4
145.04947	4.7
145.10143	0.6
147.04358	0.7
147.11728	0.8
159.02858	2.0
163.07559	0.8
173.15404	6.9
191.16429	74.0
192.16853	0.7
196.03903	0.7
208.07968	1.4
209.08144	0.6
212.16484	1.3
226.36989	0.6
231.04951	1.8
240.65414	0.6
262.85419	0.6
299.24805	0.7
335.09317	1.0
342.45901	0.6
351.63638	0.6
424.26788	0.8
438.28204	1.9
456.13544	0.7
456.29596	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88630	0.3
69.67244	1.7
70.09079	0.2
96.76019	0.3
98.21554	0.3
118.33186	0.3
126.99796	0.3
134.81375	0.3
193.63084	0.3
223.71013	0.3
263.06158	0.8
326.41586	0.3
455.11639	100.0
456.12003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01864	2.7
55.05513	1.4
56.96568	0.7
57.03426	3.5
57.07079	14.6
59.05005	100.0
61.02921	2.2
67.05514	2.2
68.99781	1.1
69.03439	8.5
70.06588	2.8
71.04974	2.9
71.28697	1.5
73.02949	1.7
79.05494	2.3
81.03420	6.8
81.07049	2.6
82.97496	0.8
83.08604	1.4
85.02910	18.4
85.06516	1.1
85.63193	0.7
86.06076	0.8
86.09692	1.6
87.00829	8.1
91.03962	1.5
91.05482	2.3
93.07063	1.6
95.05008	0.8
95.08587	1.9
97.02895	7.4
97.06522	1.8
97.10164	1.5
99.04456	3.6
105.01871	6.5
105.07029	1.4
107.08575	1.5
109.02885	6.1
115.10421	1.8
115.11214	28.4
117.09172	1.2
119.08582	1.1
127.03928	10.8
132.55914	0.9
133.10158	1.5
135.11610	1.0
145.04965	3.5
147.04362	1.4
147.11674	1.5
159.02898	2.7
162.09744	0.7
173.09521	0.8
173.15384	5.0
177.07021	0.9
191.16432	70.2
225.14900	2.8
231.05103	1.1
252.09294	1.0
285.10010	1.3
303.62015	0.8
406.55984	0.7
424.26758	1.5
438.28421	2.8
456.20233	1.3
456.29230	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	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93594	1.0
52.94511	0.8
56.96557	1.7
62.89080	0.7
70.06599	4.1
70.06908	0.7
70.10236	0.7
71.56475	1.0
72.08167	1.2
74.06077	0.8
84.08134	1.3
85.02911	1.4
86.09701	2.2
91.05508	4.1
100.71815	0.7
119.04932	5.8
120.08137	1.2
124.30803	0.8
147.04420	23.1
148.04742	2.2
160.07610	9.5
167.07010	2.7
206.05560	5.4
207.06354	6.0
207.11296	0.9
227.05241	1.8
231.14980	1.5
271.04297	2.5
369.11734	3.9
393.20169	3.0
395.02661	0.9
411.12677	27.4
437.07425	1.1
437.22821	1.9
455.11584	100.0
455.22260	2.5
456.11569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.3
55.05503	42.8
56.96575	10.2
57.03442	10.6
67.05511	59.6
69.03436	12.7
69.07062	34.7
69.66010	25.9
69.66438	40.4
70.06580	11.0
79.05496	33.6
81.03427	12.4
81.07069	50.9
82.12589	9.6
83.04993	10.1
83.08613	19.9
84.76133	9.5
91.05485	62.5
93.07041	53.7
95.04982	19.5
95.08621	19.1
97.10159	23.4
105.07040	41.7
107.04989	14.4
107.08604	32.8
109.10191	16.9
111.08072	12.3
117.07044	22.5
119.08585	23.1
123.08076	10.0
125.09670	23.7
129.07024	22.3
131.08592	42.6
133.06566	11.3
133.10164	15.1
135.08028	13.1
135.11760	10.6
136.93095	10.7
143.08533	26.5
145.10147	20.5
147.11650	11.7
154.94203	19.3
171.11661	22.4
172.95326	23.9
181.10277	8.3
189.11281	14.2
228.97963	11.3
229.42300	9.8
323.24179	11.4
335.20612	11.3
351.23050	32.7
352.90732	10.4
369.24304	39.5
377.89850	11.9
383.25601	12.2
387.25284	23.8
401.26862	100.0
419.27905	76.3
422.73184	10.5
454.17401	15.9
472.18521	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
55.01864	8.1
55.05496	9.9
56.05027	2.7
56.96570	4.0
57.00362	2.3
57.03437	30.3
57.07078	22.9
59.04992	3.1
61.02914	3.1
67.05497	18.2
69.03426	17.9
69.07079	23.7
69.46214	11.9
69.46648	8.9
70.06590	14.5
71.04991	5.3
73.02911	7.1
79.05495	5.1
81.03399	12.7
81.07056	30.3
83.04963	9.5
83.08617	12.7
84.04526	3.0
84.08155	3.8
85.02910	27.3
85.06525	15.1
86.09685	12.3
87.00824	12.3
91.05478	6.9
93.07040	7.4
95.04950	5.1
95.08595	11.4
97.02899	13.3
97.06522	9.7
97.10690	2.6
98.20748	4.6
98.97586	10.8
99.04456	5.1
99.08097	35.3
105.01864	12.7
105.07018	5.0
107.08586	6.8
109.02876	12.7
109.06555	6.7
109.09460	4.8
109.10165	66.3
110.07246	2.5
111.08074	9.5
115.03928	3.0
116.98662	2.7
119.04896	4.4
120.08154	3.8
121.06549	3.7
121.10177	3.4
123.08060	4.4
124.14678	3.0
127.03940	17.7
127.11196	40.3
133.10133	3.3
135.08047	7.6
135.11673	5.0
138.41017	3.0
138.60849	2.9
145.04941	9.9
147.04408	7.4
149.09625	5.0
151.11205	6.9
152.05716	14.8
153.12756	31.2
155.14311	100.0
159.02913	8.5
169.12215	4.1
171.13812	62.8
179.10890	3.0
186.37096	2.7
195.13881	15.8
197.51413	3.2
207.13850	6.1
211.13293	3.8
217.12309	2.9
219.01733	4.8
228.06686	3.5
231.05011	6.2
237.02937	4.9
255.00212	3.1
260.09198	4.1
284.61890	3.0
284.89798	3.0
323.08099	5.4
339.05899	2.9
339.14713	4.1
341.09048	5.0
357.15250	5.8
377.62012	2.7
436.20667	3.1
455.12711	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05521	1.6
57.03427	3.2
57.07078	20.1
62.05794	1.4
62.06097	26.0
63.24887	0.8
63.55758	0.9
67.05491	5.1
69.07060	4.5
71.08636	14.9
71.57116	1.1
79.05479	1.1
81.07075	5.3
83.08669	1.8
85.10190	7.3
93.07034	1.5
95.08605	8.0
97.10171	2.7
98.98473	5.1
109.10163	4.3
116.48087	1.0
123.11735	1.4
155.01065	6.3
170.16562	1.2
173.02122	1.3
181.06439	1.4
216.06354	3.1
239.23569	1.5
282.27960	9.4
298.29462	1.1
313.27380	100.0
314.27643	1.2
387.75772	1.0
393.24118	6.0
419.27753	1.3
436.28018	4.8
454.29218	1.9
462.31458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.3
55.05515	83.5
56.96577	2.5
57.03422	3.1
67.05507	28.4
69.03425	10.6
69.07072	17.5
71.56972	3.1
72.33100	2.2
79.05498	39.7
81.07066	30.6
83.04989	6.9
83.08623	51.8
91.05481	13.3
93.06503	2.8
93.07043	15.6
95.08591	6.0
97.09541	5.9
97.10174	100.0
99.08179	3.2
103.05470	5.3
105.07061	12.2
107.08595	30.2
109.06532	4.1
109.10156	9.0
115.05488	2.7
117.07051	17.0
119.08591	7.2
121.10188	2.7
125.09631	85.8
129.07004	7.1
131.08562	10.2
134.62277	2.5
135.08064	14.5
141.07047	4.6
143.08528	5.4
143.10690	3.6
145.06483	9.1
145.10139	4.7
147.08055	3.0
153.09087	7.0
155.08571	5.8
159.08052	4.4
163.03888	27.4
165.06892	3.0
169.10103	5.3
171.10242	3.4
171.11661	4.3
183.11609	2.7
189.11229	66.0
195.11642	3.4
197.13269	6.0
207.06534	41.0
213.12793	3.7
215.14348	24.2
241.12340	3.8
245.15363	6.3
247.16986	19.7
273.14871	7.0
280.26385	6.1
311.25833	8.3
329.06671	3.3
349.21613	9.1
367.22626	23.0
381.24237	8.2
385.23743	11.3
399.20053	4.8
399.25311	94.9
417.26349	90.6
452.33337	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	452.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48808	1.5
55.01863	6.1
55.05513	59.9
57.03447	2.2
67.05505	23.3
69.03413	5.0
69.07081	13.2
69.75328	5.4
79.05492	28.9
81.07060	23.5
83.04986	4.5
83.08621	32.9
89.32795	1.7
89.79338	1.7
91.05479	15.4
93.07054	10.7
95.08595	6.6
97.10176	71.0
101.05968	2.1
103.05463	12.1
105.07029	16.0
107.08599	29.4
109.06507	2.6
109.10135	4.5
111.08038	2.3
115.05453	2.3
117.07023	20.6
119.08587	6.2
121.06529	2.5
125.09634	80.9
128.06180	1.6
129.06998	11.8
131.04909	2.4
131.08559	19.7
133.06479	5.9
135.08047	18.4
141.07018	6.2
143.08571	5.5
145.06403	3.8
145.10126	3.6
149.09587	2.2
153.09140	10.2
154.94202	1.7
155.08543	7.3
157.12221	5.1
159.08057	2.6
169.10222	2.5
169.18274	1.8
171.08086	1.8
171.10265	2.2
171.11678	4.1
173.13286	2.6
183.11673	2.3
187.14839	19.2
189.11261	2.7
195.11688	1.8
197.13217	11.5
203.12778	72.5
213.12631	2.4
215.14322	100.0
233.15427	2.2
241.12143	2.1
280.26645	2.3
331.20865	2.2
349.21561	4.9
367.22659	19.2
385.23682	21.2
399.25360	19.1
417.26385	60.0
461.48685	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01874	2.1
56.96564	9.8
57.03439	2.8
58.38771	1.5
59.11936	1.5
61.02911	2.8
67.05499	2.2
67.82473	1.6
69.03428	1.9
69.07029	2.8
69.28863	2.3
69.29201	15.0
70.06574	5.6
71.04977	5.4
72.08145	2.9
73.02906	3.5
79.05497	8.1
81.03398	2.4
81.07058	39.4
83.04971	6.1
84.08132	6.1
85.02911	8.2
86.09690	6.1
87.10022	1.7
91.05471	2.4
91.40404	1.5
95.04961	4.3
97.02888	2.6
97.06520	7.3
98.06837	2.6
98.20702	3.2
98.97572	5.7
103.03922	7.0
105.01878	1.5
105.07011	3.2
109.02863	3.1
109.10159	2.4
116.07062	2.8
119.04930	4.7
120.08080	5.3
121.02865	7.7
121.08430	2.1
123.04473	1.8
123.11692	3.8
127.03860	3.4
129.06795	1.9
129.10162	1.4
133.10110	1.8
141.01817	1.5
145.02803	3.8
147.04427	3.3
149.02361	2.2
151.11125	3.8
155.08282	1.5
161.02367	2.0
161.05974	1.9
162.06261	2.2
163.03926	8.7
164.04269	3.9
165.01859	8.0
167.03365	2.3
169.06398	2.4
169.12238	39.9
174.02547	1.6
177.01855	2.1
187.03786	2.2
187.13268	3.7
189.24811	1.7
190.09361	2.3
195.02965	1.8
196.08440	2.0
201.04778	1.7
211.13138	2.4
214.09395	1.7
215.07019	4.9
216.07404	9.8
229.04964	2.3
232.10472	2.0
236.12238	3.0
256.07224	2.3
259.09607	7.7
260.10043	16.2
261.04144	1.7
265.64706	1.7
267.06506	7.2
267.17188	1.9
268.94049	1.5
270.05212	4.7
271.05951	6.4
272.11420	1.9
281.08142	6.0
283.06021	69.6
284.06744	19.3
295.06171	13.1
297.07532	12.1
307.05991	1.8
308.06952	1.9
309.07523	15.8
310.07736	2.2
313.07056	100.0
314.07446	8.4
323.09015	9.4
324.09589	1.8
325.07028	5.2
326.00943	2.1
327.01822	5.2
332.04083	2.0
337.03442	2.5
337.07059	32.6
338.07455	3.6
339.01501	2.0
341.03287	5.4
343.08151	7.4
345.02838	11.9
347.04953	2.7
349.07089	5.7
351.01697	15.6
351.08633	3.8
352.02139	2.7
353.03351	2.8
355.04843	14.1
357.02802	14.3
358.03159	2.3
359.04556	13.6
360.04816	2.5
361.07074	5.9
367.08115	13.9
368.05200	4.0
368.98495	3.1
369.02829	39.7
370.03223	3.0
371.04321	6.6
373.05887	4.8
375.03772	3.2
377.05563	6.9
379.08191	12.6
381.02798	12.4
383.06174	11.8
387.03879	53.7
388.04227	4.5
392.06680	17.0
392.56720	4.4
393.02649	5.8
395.05200	2.9
397.09283	16.9
399.03854	36.8
400.03784	2.2
404.06357	5.4
405.04913	7.9
410.05603	2.7
411.03879	11.0
415.10361	17.6
417.04977	13.5
423.03979	4.1
429.04941	4.9
433.11420	23.0
435.03586	8.9
452.16400	3.6
452.22916	2.3
453.05032	9.0
471.05945	16.6
476.06268	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	451.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01861	9.3
55.05511	47.2
67.05506	69.1
69.03407	7.0
69.07079	40.7
71.57663	6.7
76.26018	4.4
78.16755	3.8
79.05494	67.6
81.07055	85.5
83.04971	9.6
83.08616	35.0
85.06528	7.4
88.21514	3.9
91.05477	86.5
91.51264	4.1
93.07037	62.0
95.04945	8.6
95.08598	51.1
96.32047	4.5
97.06504	12.1
97.10172	18.0
99.08121	4.8
105.04493	4.8
105.07031	64.5
107.04951	9.5
107.08599	34.0
109.06539	5.3
109.10159	13.4
111.08068	11.3
115.05420	6.5
117.07011	51.7
119.08584	40.6
121.06494	8.7
121.10146	23.9
123.08048	17.1
123.11755	5.4
124.68268	4.6
125.09623	8.9
126.61203	4.6
128.06215	13.9
129.07010	70.1
131.08572	94.4
133.06540	9.7
133.10159	27.2
135.08049	12.0
135.11746	12.8
139.11128	7.1
141.06996	23.3
142.07813	9.5
143.08578	51.0
145.06485	11.5
145.10123	38.3
147.08049	13.3
147.11685	12.8
149.09654	12.4
155.08540	47.1
157.06528	6.8
157.10124	26.4
159.08055	9.1
159.11676	21.9
161.09525	6.2
163.11211	5.9
165.07016	5.4
167.08609	13.7
169.10133	20.5
171.11711	16.8
173.09700	7.0
173.13229	8.7
175.11147	6.8
177.12848	5.4
181.10117	15.4
183.11710	16.3
185.13275	10.6
193.10051	5.1
195.11702	23.1
195.13509	5.2
197.13264	14.1
199.11249	7.6
201.12788	6.7
207.11771	7.9
207.13754	5.5
209.13237	10.4
211.14784	9.3
213.12823	7.9
219.13887	5.2
221.13246	15.0
221.15257	5.8
223.14806	21.8
225.12756	9.4
225.16269	5.1
227.14331	4.8
231.13742	9.0
233.15443	6.8
235.14926	8.1
237.16608	5.2
239.14316	12.5
241.15988	7.4
247.16942	16.0
253.15825	7.9
257.15427	5.5
271.17010	9.6
285.18533	4.8
305.22516	5.3
315.21048	4.3
323.23608	15.7
333.22150	35.0
341.24667	13.3
348.93002	4.8
351.23141	100.0
355.26233	7.0
365.24762	13.4
369.24219	51.3
373.27286	6.9
383.25772	18.3
387.24783	15.0
401.26846	74.8
415.28543	21.4
419.27887	5.8
433.29330	24.5
451.30206	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	451.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
55.05508	3.1
56.96563	0.8
58.99861	1.5
67.05509	3.9
68.05017	0.6
69.03434	0.9
69.07072	2.5
69.71853	0.5
69.89232	0.9
69.89639	1.5
70.06603	1.6
77.00913	7.8
79.05504	2.8
81.03420	0.9
81.07071	5.3
83.04990	1.1
83.08617	2.4
84.95979	0.6
91.05502	2.8
93.07055	2.8
95.01943	6.1
95.04947	1.6
95.08618	3.4
97.06540	4.6
97.10203	1.3
98.97637	0.8
105.07034	2.3
107.04958	1.3
107.08609	2.4
109.06548	0.8
109.10165	2.3
111.04414	0.8
116.07096	1.2
119.05006	0.6
119.08614	3.3
121.06522	0.6
121.10157	1.8
123.08060	0.6
123.11730	1.3
129.06976	1.1
131.08536	1.6
132.06573	0.7
133.10173	1.9
135.04486	1.0
135.08038	0.8
135.11649	1.3
143.08559	1.0
145.10115	1.3
147.04227	0.6
147.11671	2.4
149.13226	0.7
157.10170	0.9
159.11719	1.5
161.09583	0.6
163.03908	3.4
173.02390	0.8
175.14873	0.8
183.12337	1.3
191.12799	0.6
199.14796	0.7
207.12349	0.5
211.15395	1.3
215.07162	1.0
217.10722	1.3
219.12260	6.3
225.13394	4.0
235.11856	2.3
237.13368	70.3
238.13702	1.9
241.08661	1.4
243.14439	18.1
253.12914	1.6
255.14436	100.0
256.14682	1.5
259.09805	2.8
260.15042	4.9
261.15439	1.9
266.16034	0.8
273.15488	9.2
278.16022	10.6
296.17239	0.8
319.18549	0.6
391.17575	0.8
433.19989	0.9
451.21503	2.4
451.28967	40.7
452.29807	1.3
456.54523	0.6
458.15591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.5
57.03435	11.4
57.07077	6.6
65.34161	1.2
67.05511	16.1
68.46909	1.0
69.06735	1.5
69.07079	25.7
69.28994	12.5
70.14649	1.1
71.08627	3.5
79.05478	5.4
81.07063	17.9
83.08621	16.7
85.10130	2.4
88.65509	1.1
91.05530	1.1
93.07057	10.0
95.08604	15.8
97.06535	2.1
97.10189	7.7
107.08623	7.3
109.10172	8.4
111.11703	2.3
113.00025	56.7
121.10144	6.2
123.11687	2.4
135.11710	6.4
139.02719	1.3
149.13281	1.9
163.14827	1.5
169.02623	44.0
169.04076	2.5
187.03671	3.8
265.25201	1.9
339.28952	100.0
340.29260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05506	1.1
57.03430	1.3
58.17417	0.6
67.05488	1.8
69.03429	0.9
69.07063	8.2
70.96426	1.3
70.99551	0.6
75.81600	0.5
79.05495	8.7
83.04992	0.7
89.03917	2.3
91.05467	0.7
92.42595	0.6
97.06534	71.7
111.04414	0.6
117.03375	3.5
129.06975	0.7
133.02846	2.0
135.04419	5.2
145.02849	4.3
147.04471	0.8
159.04454	4.3
161.02361	12.4
163.03909	30.6
173.02348	24.6
173.03868	0.9
185.05939	1.0
187.07646	0.7
191.03342	0.8
215.07022	29.5
259.09668	100.0
260.10046	0.9
416.40012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33517	0.6
69.64885	0.5
70.44604	1.5
70.45010	1.1
85.02933	0.6
86.03889	0.6
93.22047	0.7
94.42087	0.6
122.21697	0.6
147.81966	0.6
164.75424	0.6
178.68178	0.6
213.27487	0.6
245.83849	0.6
391.03125	0.8
451.04880	100.0
451.13885	4.9
452.05518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05515	2.7
56.05043	0.9
59.78830	0.9
60.04524	1.7
65.03925	1.7
67.05511	6.8
69.07067	3.1
70.06594	1.3
71.56917	1.8
79.01839	0.9
79.05496	6.0
80.05035	1.7
81.03410	2.6
81.07054	6.3
83.08617	2.8
85.02918	1.3
87.04490	1.2
91.05480	16.2
93.07063	5.1
94.06587	1.5
95.04993	2.1
95.08606	2.9
97.06541	3.6
105.07020	3.8
107.04984	2.7
107.08611	2.8
109.02864	2.9
109.06504	1.3
109.10196	0.9
111.08089	1.1
115.05464	1.2
117.07014	2.0
119.04951	30.8
119.08582	2.9
121.06525	2.3
121.10136	1.8
123.04427	1.1
129.06999	3.8
130.08611	1.3
131.04871	2.9
131.08537	5.5
133.02863	1.7
133.06471	1.9
133.10156	1.3
135.04416	3.6
135.08105	1.4
137.02328	1.3
141.07019	1.7
143.08562	2.8
145.06494	2.4
145.10141	1.4
146.00780	1.0
147.04419	100.0
147.11702	1.5
149.05905	1.2
151.03891	1.3
155.08508	1.0
157.06456	1.8
157.10156	2.6
159.04372	2.1
159.08029	1.2
159.11690	1.5
161.06035	2.7
163.03926	10.0
165.05504	1.7
166.07797	1.3
169.10156	1.3
171.08160	1.2
171.11693	2.9
173.06007	2.1
173.09645	1.3
175.03934	3.8
175.07561	0.9
177.05498	2.6
179.03386	1.8
181.10162	1.2
187.03860	1.8
187.11273	1.2
188.07138	1.2
189.05498	2.1
189.12781	2.1
199.11234	3.1
203.10933	1.2
206.15482	1.6
209.09607	2.1
215.10683	1.8
217.05022	1.7
217.12311	1.8
218.15390	1.7
227.10707	3.9
230.17647	1.9
233.11836	1.8
236.16483	1.1
237.09140	1.3
243.10167	4.2
245.11783	2.4
249.15053	1.2
250.17979	2.2
259.09683	1.1
259.13281	1.3
261.11273	3.5
262.21323	1.1
263.12875	1.9
269.11746	4.0
273.11176	2.1
277.14352	3.8
286.20203	3.9
287.12811	3.3
289.14288	6.2
293.13861	5.9
297.11172	2.0
300.05783	2.4
301.14462	1.6
304.21204	55.9
305.13861	5.5
311.14874	2.7
315.12219	3.1
323.14883	10.8
325.16388	7.5
329.13766	2.6
330.06897	2.9
333.13318	10.8
337.16443	10.4
347.14944	3.2
351.14413	1.6
361.16293	5.3
365.15982	10.2
379.17661	10.0
383.17172	1.2
397.18585	16.2
432.10730	1.6
432.23865	9.2
450.11398	1.9
450.19089	1.8
450.24802	16.4
450.30634	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	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01869	4.3
55.05511	4.1
56.65431	0.9
67.05508	6.4
69.03432	1.7
69.07069	2.3
70.02084	0.9
70.06567	0.8
71.57444	1.8
79.05496	6.6
81.03411	2.7
81.07066	6.7
83.04971	1.3
83.08627	1.6
85.02905	1.6
91.05466	6.6
93.07048	5.5
95.01333	3.0
95.04954	2.8
95.08604	2.4
97.02911	1.3
97.06551	1.1
103.05453	1.0
105.07035	5.0
107.04984	2.9
107.08619	2.3
109.02888	1.2
109.06537	1.0
109.10207	1.2
112.97125	0.8
115.05465	1.3
117.07004	2.6
119.04971	1.6
119.08585	2.6
121.02887	1.1
121.06486	1.0
121.10152	1.6
123.04459	1.9
123.41061	1.0
129.07001	3.7
131.04898	1.4
131.08604	4.8
133.06508	2.3
133.10130	2.6
135.04385	3.0
135.08101	1.2
139.03889	1.7
143.08627	1.7
145.06500	3.0
145.10130	2.6
147.04453	2.3
147.08075	1.6
147.11647	2.1
149.02357	1.5
149.06032	1.9
151.03899	1.9
155.08600	2.0
157.06543	1.7
157.10158	2.9
159.04568	1.2
159.08006	1.4
159.11670	1.8
161.05981	2.9
161.09650	1.6
163.03902	3.1
163.07504	1.4
163.11221	1.1
165.01808	1.6
165.05576	1.2
165.06973	1.7
167.08586	1.1
169.06500	1.1
169.10149	1.8
171.08038	1.4
171.11758	1.2
173.06015	3.7
175.03902	2.3
175.11212	2.2
177.05464	2.1
179.03409	1.0
183.08110	1.9
183.11693	1.2
185.06058	2.1
185.09602	1.7
187.11241	1.6
189.05492	4.2
195.11771	1.8
197.04529	1.2
197.09587	1.4
199.03879	0.9
201.05479	1.4
205.04951	1.2
209.09470	1.0
213.09116	1.7
213.12706	1.9
215.10710	2.1
217.04935	2.6
221.04468	5.9
225.09230	2.2
227.10724	1.6
231.10323	1.2
233.11703	4.0
235.06017	2.0
239.10867	1.2
241.12292	4.1
243.10072	1.5
251.10678	3.0
253.93503	0.9
255.10248	1.4
257.11798	1.0
259.13318	2.9
269.11780	6.5
271.13251	1.1
277.10706	4.2
287.12756	8.3
297.11191	5.6
300.06137	1.1
303.12299	2.5
305.13879	4.1
315.12280	15.1
329.14139	1.7
333.13330	100.0
347.14822	2.6
351.14334	16.2
365.15976	39.0
383.17065	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	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12622	0.9
55.01873	3.1
55.05513	3.0
57.03446	1.4
65.03938	1.0
67.05501	8.4
69.03431	2.0
69.07061	2.6
69.16986	1.2
70.67797	2.4
70.68169	2.0
71.01303	1.4
79.05493	6.4
81.03401	2.8
81.07064	8.5
83.04957	2.3
83.08607	2.2
85.02909	2.9
91.05474	7.4
93.03385	1.1
93.07053	4.3
95.01323	3.4
95.04971	2.7
95.08613	3.1
97.02901	1.5
97.06546	1.8
105.03418	1.7
105.07041	4.6
107.04948	2.3
107.08598	3.4
109.02898	1.5
109.10186	2.8
115.05484	1.6
117.07028	3.4
119.04945	1.2
119.08596	3.5
121.02863	1.9
121.06515	1.7
121.10113	1.5
123.04430	2.1
125.02370	1.0
128.06244	1.3
129.07007	3.5
130.05498	1.1
131.04929	1.7
131.08545	3.4
133.06491	2.9
133.10109	3.5
135.04428	2.3
137.19594	0.9
139.03889	1.7
141.07018	2.1
143.08580	3.2
145.06458	2.1
145.10175	2.9
147.04414	2.8
147.08047	1.1
147.11629	2.1
149.02345	2.2
149.05989	2.0
151.03935	2.7
155.08562	2.1
157.06482	1.6
157.10167	2.8
159.04443	2.3
161.06001	2.2
161.09703	2.1
163.03883	2.6
163.11145	1.9
165.05493	1.8
169.06432	1.3
171.08051	2.2
171.11769	1.6
173.06006	3.4
175.03946	3.4
175.11191	1.6
177.05504	2.0
183.08070	1.6
183.11780	1.4
185.09647	2.1
187.11151	1.9
189.05507	4.7
191.03259	1.6
195.11629	2.2
197.09666	1.7
199.11241	1.6
201.05489	1.5
205.05000	1.5
205.10110	1.2
209.09683	1.1
213.05511	1.4
213.12775	1.9
215.10738	2.6
217.05141	1.6
221.04456	7.6
223.11206	2.2
225.09076	2.2
225.12695	1.5
227.10728	2.6
231.13892	1.5
233.11673	5.1
235.06090	1.6
241.12292	5.0
251.10753	2.8
255.10095	1.4
259.09903	1.4
259.13327	2.0
261.11139	2.1
269.11703	5.7
277.10776	4.0
279.10281	1.9
287.12820	8.7
297.11029	5.8
300.05978	2.0
303.12219	1.7
305.13855	3.3
315.12268	18.0
330.06616	1.3
333.13327	100.0
347.14697	1.6
349.16800	1.8
351.14407	16.8
365.16006	37.9
379.79498	1.1
383.17032	11.5
432.10098	1.7
450.11365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70501	0.6
53.03929	0.9
55.01866	2.1
56.05028	1.2
56.20966	0.6
56.96564	1.3
57.03433	4.9
60.04522	1.6
61.02926	5.7
63.48551	0.7
65.03929	2.1
67.05528	0.7
68.05023	0.7
69.03429	11.9
70.06600	5.0
71.04998	2.0
71.56814	0.7
72.08168	3.6
73.02905	3.0
74.06075	1.0
79.05486	1.1
81.03419	4.3
81.07066	1.0
83.01364	0.7
84.04505	2.8
84.08173	3.2
85.02908	64.5
86.06063	1.0
86.09715	5.3
87.04465	2.0
91.03954	2.8
91.05483	100.0
93.07039	1.0
94.06564	0.9
95.04987	0.7
97.02896	34.5
97.06527	1.1
98.97591	0.9
99.04464	2.6
102.05620	1.0
103.03960	1.0
104.10721	0.8
105.07034	1.9
109.02876	5.4
110.07174	1.5
115.03944	4.8
116.98560	0.7
117.03331	0.6
117.07034	1.5
120.08138	3.3
121.06506	1.2
124.99991	0.8
127.03928	14.6
129.05550	0.8
129.10233	0.9
130.17473	0.8
133.02904	1.4
133.05020	1.0
133.06505	3.1
136.07516	0.8
137.05940	0.7
140.38980	0.7
143.03372	0.8
143.08530	1.0
145.04967	27.7
145.06348	1.7
147.04405	1.3
149.06044	2.4
153.06920	0.9
153.77055	0.7
157.06538	1.5
161.04524	2.5
161.06006	1.4
163.06027	12.8
167.07011	3.3
171.08087	1.8
175.07562	2.2
177.05438	2.0
184.07335	4.2
187.07532	0.9
193.08542	1.1
201.04190	0.6
217.08513	3.5
218.54552	0.7
219.01750	1.3
235.09593	3.9
237.03035	1.0
248.03757	1.3
253.10770	3.5
274.79807	0.8
275.16241	0.7
276.03476	0.9
281.11969	0.7
288.05789	1.0
288.18045	1.0
325.11374	1.4
367.08615	0.8
406.17764	2.0
432.28122	1.1
450.17178	4.2
450.22928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20936	1.4
55.01868	3.1
55.05505	3.4
56.95622	1.5
58.99583	1.7
67.05502	6.2
69.03424	3.0
69.07066	14.3
69.40410	10.4
76.02219	3.5
79.05490	7.2
81.03416	2.5
81.07072	9.2
83.08595	2.2
85.02912	1.6
86.11838	1.3
88.03998	3.4
91.05470	9.2
93.07046	4.9
95.04953	3.7
95.08640	3.3
97.06532	10.3
98.21497	3.6
105.00058	1.4
105.07032	8.3
106.40813	1.3
106.59666	1.2
107.04967	6.6
107.08595	5.4
109.06522	2.0
109.10149	2.1
110.99058	1.9
113.00623	1.6
117.07030	8.6
118.48724	1.3
119.04923	2.3
119.08579	10.0
121.06502	11.4
121.10151	1.7
122.02748	4.2
123.04457	3.0
123.08117	1.6
123.65492	1.5
125.04141	1.8
127.02134	8.2
128.06273	2.5
129.07014	15.4
131.08582	19.1
132.01184	4.5
133.06502	7.0
133.10201	2.9
135.08038	3.5
141.07141	4.9
142.07796	2.6
143.08566	11.0
145.06473	7.8
145.10143	8.4
147.04408	5.1
147.08052	6.5
147.11711	1.9
149.05927	1.7
149.09651	4.5
151.05740	1.5
155.08562	11.0
156.09410	1.9
157.06502	4.1
157.10114	21.9
159.08070	3.7
161.09735	1.9
163.03893	2.9
163.07555	2.9
165.05545	1.4
165.07111	1.9
167.08618	4.1
168.09206	1.5
169.06773	2.5
169.10095	8.9
171.08122	9.0
171.11717	17.3
172.08850	2.4
173.02332	4.1
173.05954	2.6
173.09607	20.0
177.09135	2.0
179.08543	3.2
181.10143	5.0
182.10928	1.9
183.08145	2.8
183.11708	5.2
184.08809	2.1
185.09612	35.4
185.13242	3.9
187.11229	6.8
189.07486	2.5
189.09094	2.7
189.12787	4.8
193.10005	1.7
195.11699	4.5
197.09616	5.5
197.13249	3.5
199.07597	2.8
199.11163	17.3
201.03679	1.4
201.09088	5.6
201.12785	4.4
203.08867	4.5
203.10698	1.8
205.06888	1.7
205.10289	2.7
207.11699	4.3
209.09601	3.3
209.13287	2.5
213.07330	2.0
213.09184	3.3
213.12756	2.5
213.16374	2.7
215.07100	8.4
215.08768	1.4
215.10696	7.8
217.06715	1.7
217.08649	2.0
219.10074	3.2
221.09804	1.7
221.13322	3.1
223.14891	6.2
225.09154	3.1
225.12811	3.1
227.10692	29.3
227.14252	2.3
231.08430	10.2
235.14819	3.1
237.09077	1.5
237.16418	2.3
239.14365	3.1
241.06750	6.7
241.15874	18.4
243.10204	6.4
245.11580	2.7
253.12480	2.2
255.10129	16.8
255.17455	5.5
259.07443	15.0
259.09909	9.1
263.14413	3.3
265.15955	6.5
272.20126	5.4
273.11215	20.1
275.07397	4.3
275.14529	1.6
277.09009	14.2
279.11984	1.6
283.16974	12.2
287.07410	16.8
292.14618	1.9
293.15387	2.3
297.13107	3.3
301.18051	3.8
305.08426	47.1
311.16415	50.2
312.10757	1.8
315.14050	7.2
325.12668	4.8
329.17520	19.0
330.11652	5.5
343.13647	20.9
348.12601	2.3
361.14691	88.2
369.15201	1.7
376.12161	13.5
377.10599	5.2
386.17987	5.7
394.13205	74.9
404.19168	2.6
414.17700	1.9
415.15442	1.8
432.18433	47.9
433.16794	10.4
450.19479	100.0
450.24542	5.6
450.28873	4.6
450.33929	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77967	0.3
53.03940	0.7
55.01863	0.6
57.03448	0.7
57.83921	0.3
59.61772	0.3
60.04534	0.7
67.05491	0.4
69.03428	1.9
69.51688	2.8
70.06599	1.8
72.08156	0.8
73.02908	0.7
78.04688	1.2
79.05566	0.4
81.03417	2.4
84.04491	0.7
84.08130	1.2
84.96021	0.3
85.02908	5.6
86.09717	1.1
87.00856	1.9
91.05468	1.2
97.02884	2.3
98.06054	0.4
98.10863	0.4
99.04435	1.2
105.01844	1.8
106.04179	0.9
108.04468	1.1
109.02877	2.4
110.07164	0.4
119.04945	1.7
120.08102	0.4
121.06502	0.5
123.04432	4.6
124.05206	1.5
126.05579	1.0
127.03923	3.3
129.10216	0.7
145.04919	1.9
147.04414	4.5
148.04845	0.4
151.03902	0.9
152.04657	0.9
159.02890	1.2
167.07047	100.0
168.07368	0.6
184.07382	0.5
196.71883	0.4
220.87434	0.4
229.23178	0.4
230.06613	0.6
231.05038	0.7
248.07680	0.6
276.03323	0.5
278.94147	0.3
288.05771	0.5
378.24899	0.4
383.57193	0.4
384.81219	0.4
406.17758	0.5
406.23618	0.4
419.63730	0.4
450.16437	0.7
450.23337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.6
56.02583	3.3
57.03432	12.3
57.07072	4.7
67.05509	37.1
69.07080	21.2
69.21518	37.5
71.08638	5.4
79.05503	10.8
81.07067	45.0
83.08617	14.4
91.05461	4.5
93.07044	14.0
95.08614	35.8
97.10197	5.1
105.07021	6.5
107.08598	8.2
109.10139	11.4
113.00028	72.8
117.45327	3.5
119.08604	6.4
121.10081	7.0
123.11704	4.0
133.10126	6.8
135.11690	5.9
137.00087	3.8
147.11681	4.7
160.98595	3.6
169.02626	31.9
170.47147	3.0
187.03745	7.1
198.05441	3.3
263.23700	5.3
300.88971	3.7
337.27377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1421
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
54.69907	0.7
63.78263	0.8
66.35375	0.7
69.84823	1.6
69.85233	3.1
70.06592	1.3
81.98914	0.7
93.05171	0.7
93.73887	1.0
98.21480	1.5
116.07083	1.3
236.26747	0.9
255.07466	0.7
279.50388	0.8
315.03308	0.9
331.68442	0.9
401.37506	0.9
449.14227	100.0
450.14719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05518	3.5
55.05729	0.6
62.94651	0.7
67.05513	3.8
69.07047	1.3
69.24441	4.4
69.24857	2.0
78.83508	0.7
79.05499	3.9
81.07044	3.2
83.08621	1.4
91.05479	2.5
93.07043	3.7
94.55341	0.6
95.08605	2.1
97.10159	1.5
105.07034	1.7
107.08587	3.1
109.10160	1.4
117.07001	1.0
119.08588	1.2
121.10149	1.7
125.09615	1.4
133.10126	1.0
145.10147	0.8
147.11720	1.1
159.02658	100.0
166.69861	0.6
200.05330	1.7
219.06541	1.8
220.06902	1.7
257.26691	0.9
271.06064	1.1
273.06561	1.4
277.13812	1.2
287.05438	1.4
299.05606	1.5
313.21381	41.4
329.06464	1.2
337.26611	1.2
359.17294	1.1
367.22672	0.9
417.26022	1.7
449.11050	1.8
449.31082	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
55.05510	17.3
57.03440	9.4
57.07067	2.1
65.03983	1.2
67.05508	37.5
69.07076	15.9
69.43842	8.4
69.44248	3.0
79.05493	10.8
79.31841	1.2
81.06583	2.2
81.07058	34.4
83.04983	1.8
83.08620	8.9
85.06577	1.4
91.05499	5.0
93.07055	8.8
95.08616	28.2
97.10182	6.2
99.08120	1.4
105.07024	3.0
107.08591	4.3
109.10155	11.6
111.08107	1.5
113.00022	59.1
119.08591	2.7
121.10155	3.9
123.11729	3.7
131.51352	1.3
133.10164	3.1
144.53462	1.4
147.11615	2.9
161.13268	2.0
169.02623	30.8
187.03662	4.3
245.22719	4.0
246.70857	1.4
263.23767	7.0
336.03745	1.7
337.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01860	0.4
68.99802	0.4
69.45396	1.0
70.06585	0.3
84.08131	0.5
85.02913	0.3
86.26700	0.2
91.05489	0.3
107.04984	0.3
114.70482	0.2
120.08849	0.2
127.03922	0.2
128.46571	0.2
135.04425	1.2
137.02338	0.5
153.01820	4.3
161.02361	0.5
201.05612	0.2
213.05391	0.3
213.93236	0.2
241.04968	0.5
245.04306	0.2
250.82899	0.2
259.05927	0.2
266.00558	0.2
269.04129	0.3
272.06839	0.2
287.05496	100.0
288.05829	1.3
297.07318	0.2
299.05515	2.3
300.06268	0.7
311.05374	0.3
313.07050	0.3
314.04138	0.2
325.06961	0.4
329.06580	2.0
339.08646	0.6
341.06198	0.2
353.06454	0.6
383.07565	0.3
413.08685	0.6
431.09659	0.8
449.10742	2.9
449.20053	0.3
449.25558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
51.46239	0.8
60.84276	0.7
61.82958	0.8
68.99751	1.1
69.90044	3.5
78.15695	0.7
79.01859	3.9
81.03413	1.9
85.02875	1.5
86.80463	0.7
107.01253	0.9
109.02853	1.2
135.04361	2.5
137.02338	16.6
147.04382	0.7
153.01854	0.9
161.02278	2.2
163.03911	1.7
165.01839	4.7
177.01826	1.5
178.51337	0.9
179.03392	1.4
183.02870	0.9
187.03880	1.2
191.03349	1.2
203.03391	1.1
205.05069	1.5
207.76091	0.8
217.04941	4.5
227.07004	1.2
229.04913	3.9
241.05031	1.0
243.02869	3.8
243.06598	1.2
244.07317	1.6
258.34726	0.8
259.06137	4.3
261.03964	2.3
271.06018	5.2
272.06812	8.5
286.04672	0.9
287.05411	2.9
295.05936	1.1
299.05502	79.7
300.06268	39.9
301.06940	2.8
311.05515	17.3
313.07043	17.3
314.04147	1.2
323.05582	1.3
324.06339	3.4
325.07031	5.6
327.05167	3.6
327.08505	1.1
329.06537	99.5
330.06873	2.0
337.07065	0.9
339.05121	1.7
339.08618	21.8
341.06628	5.9
343.08011	1.5
353.06540	20.2
359.07523	6.6
362.16888	0.9
365.06836	1.0
367.08261	6.7
371.07660	2.4
383.07617	14.0
395.07590	8.9
413.08661	32.2
431.09750	48.6
432.09845	0.9
449.10794	100.0
450.11008	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	449.1079
Annotation	Homoorientin
Peak:m/z	Relative Intensity
58.33911	0.8
59.17383	0.9
68.99783	1.4
71.07901	2.0
74.32076	0.9
85.02900	1.4
86.67829	0.8
88.59589	0.8
109.02850	1.4
121.02824	1.7
135.04408	3.3
137.02338	7.2
141.01837	1.1
149.02332	3.1
161.02333	2.3
163.03885	3.2
165.01857	15.9
166.17793	0.9
167.03380	2.3
177.01863	2.9
179.03343	1.5
183.02916	2.6
187.03999	1.3
195.02861	1.9
203.03418	1.1
229.28499	0.8
243.02933	1.9
245.04355	1.4
254.70749	0.8
254.82474	0.9
270.50122	0.8
271.06042	1.9
272.06812	1.4
283.05981	7.7
286.04614	3.3
287.05447	4.8
295.05939	1.1
297.07614	6.7
299.05511	100.0
300.06268	8.8
311.05603	9.9
311.08917	1.9
313.03348	1.5
313.07074	3.2
321.07547	2.8
323.05768	1.9
324.06131	1.7
325.03387	2.3
325.07037	23.7
329.06546	66.4
330.06995	1.2
337.07028	2.6
339.08667	15.6
349.07047	4.3
353.06564	40.8
365.06604	10.5
367.08142	2.1
377.06546	10.4
383.07623	25.5
395.07639	18.4
413.03641	1.3
413.08719	21.0
431.09753	16.0
449.10730	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	448.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19267	0.8
56.96559	2.4
57.03432	0.8
59.05024	1.0
59.83921	0.7
63.91475	0.7
71.56260	1.5
72.08157	1.8
73.02958	0.9
74.06100	1.2
84.04485	2.5
84.08147	1.2
85.02891	2.4
86.09711	3.0
91.05495	2.8
97.02850	1.2
97.06503	0.9
98.97595	3.1
103.05495	4.8
106.06576	1.0
107.04948	2.3
110.97608	0.9
116.98675	1.3
119.04942	6.3
120.08118	100.0
121.06485	2.4
121.08585	3.1
126.05502	0.9
127.03851	0.9
128.98517	0.8
129.10233	1.5
130.14360	0.9
131.04912	2.2
143.00085	1.0
147.04414	20.7
148.04799	1.5
149.05969	2.2
158.99713	1.3
166.08655	60.5
170.99666	1.3
177.00607	0.9
219.01659	1.6
237.02835	1.5
305.09210	1.1
309.08636	1.2
362.02466	0.9
449.15967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01876	1.9
55.05512	8.5
56.96561	3.9
57.03440	9.5
57.07065	2.5
61.02932	2.2
65.03935	1.8
67.05508	41.2
69.03439	2.1
69.07063	7.0
70.65371	3.3
71.04999	1.4
71.08609	1.1
79.05494	26.4
81.03430	2.2
81.06580	2.1
81.07059	42.4
83.05003	2.2
83.08614	3.6
85.02914	2.6
85.06558	1.4
91.03934	1.5
91.05473	13.2
91.23293	1.1
93.07053	30.6
95.04974	4.0
95.08611	32.6
97.02912	2.3
97.06544	2.1
97.10214	1.2
99.08019	1.2
104.75425	1.1
105.07026	9.6
107.08606	19.0
109.06499	2.0
109.10162	11.6
113.00021	47.2
117.07043	4.4
119.04987	2.1
119.08593	8.6
121.10145	15.5
123.08095	1.8
123.11715	4.3
125.09650	1.2
128.14400	1.3
129.05469	1.7
129.06985	1.2
131.08575	9.5
133.10124	8.1
135.11674	8.2
137.02356	3.8
137.13277	3.9
143.08641	1.2
145.04889	1.1
145.06538	1.1
145.10121	7.7
147.11676	4.2
149.02296	2.0
149.09570	1.4
149.13237	6.1
151.11183	1.3
153.01837	4.8
159.11696	5.0
161.13327	3.0
163.11215	2.5
163.14874	3.6
169.02631	17.0
173.13237	6.0
175.14812	1.3
177.16415	2.1
179.14310	1.2
187.03677	4.9
187.14914	2.5
216.63046	1.4
233.22816	1.9
235.13069	2.6
243.21118	11.1
261.22189	15.2
267.09253	1.7
269.10562	2.6
271.06024	100.0
272.06403	1.6
285.10074	1.5
292.12335	1.2
295.11951	1.1
317.24780	5.0
335.25806	92.2
336.26154	2.6
349.16962	1.8
367.17850	3.8
382.23196	1.3
399.20670	1.2
447.09167	3.8
447.27606	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	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00813	0.7
53.03936	0.8
55.01869	0.9
55.05497	3.2
56.96568	3.5
57.03442	4.1
57.07066	1.2
61.02929	1.2
67.05176	0.8
67.05511	13.0
69.03419	1.2
69.07078	3.6
71.04995	0.9
71.56644	0.9
73.02916	1.0
75.86118	0.8
79.05060	1.0
79.05493	11.0
81.07065	15.7
83.08601	2.7
85.02888	2.0
86.14890	0.7
91.05468	6.9
93.07053	13.8
95.04961	1.3
95.08608	9.4
97.02874	1.1
97.06573	0.9
97.10134	1.2
99.08118	1.2
105.07036	5.4
107.08602	9.6
109.06543	1.4
109.10150	4.2
113.00028	40.2
113.09657	1.0
117.07029	2.1
119.04964	1.6
119.08598	9.9
120.08928	1.9
121.10161	8.1
123.08035	0.8
123.11711	1.8
125.09683	0.9
129.05453	0.8
131.08560	4.5
133.10133	2.3
135.08055	1.5
135.10780	1.0
135.11696	4.8
145.10141	4.1
147.11688	2.6
149.02289	1.1
149.13249	3.2
153.01855	4.6
157.09991	0.9
159.11711	3.3
161.13277	2.2
163.14816	2.6
169.02621	26.0
173.13284	2.7
177.16365	0.8
187.03737	4.0
187.14784	0.7
223.51828	0.7
235.13091	5.5
236.88574	0.7
239.09726	0.9
241.11121	2.1
243.21118	8.2
259.12238	3.0
261.22162	12.9
267.09064	1.0
269.10812	1.2
271.06030	100.0
272.06403	2.5
277.30423	0.8
292.12326	0.7
317.24664	2.0
331.15628	1.6
335.22006	1.4
335.25845	18.6
349.16916	7.3
367.17987	8.5
387.12582	1.0
390.19553	1.9
429.23932	1.7
447.09149	2.9
447.14447	1.1
447.27264	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	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01854	2.0
55.05509	8.2
56.96575	1.2
57.03441	10.3
57.07074	3.6
59.23518	1.2
62.08243	1.0
65.03944	1.9
65.43655	1.0
65.76460	1.0
67.05505	36.8
69.07069	7.1
69.91747	5.5
73.55840	1.1
79.05486	21.6
81.03425	1.4
81.07056	39.7
83.08613	3.5
85.02926	1.2
85.06582	1.4
91.03975	1.0
91.05473	12.6
93.07040	24.6
95.04989	1.3
95.08604	29.9
97.06523	1.4
97.10150	1.0
98.20857	1.5
98.98522	1.2
99.08105	1.3
105.07037	9.2
107.08587	15.1
107.84324	1.0
109.10159	12.8
111.11777	0.9
113.00012	45.7
113.16600	1.0
117.07021	4.1
119.08593	6.6
121.10123	14.3
123.11708	3.1
129.05455	1.3
131.08563	10.2
133.10139	7.0
135.11687	10.0
137.13248	2.6
145.10127	4.9
147.11693	3.6
149.13220	5.4
159.11700	3.9
161.13284	3.3
163.14816	4.7
169.02626	18.1
173.13261	6.6
175.14862	1.8
177.16360	2.2
187.03745	5.6
187.14775	1.8
219.21178	1.2
233.22643	1.2
235.13031	4.1
243.21112	13.8
258.80106	1.3
261.22125	17.0
271.06006	35.0
298.75763	1.1
317.24753	6.5
335.25793	100.0
336.26108	1.6
447.09308	1.3
447.27618	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66301	1.4
53.03940	1.7
55.01870	3.3
55.05515	14.9
55.25456	1.3
57.01918	1.2
57.03443	21.1
57.07067	5.6
59.50173	1.2
59.89627	1.2
65.03929	2.4
67.05509	40.7
69.07071	14.6
69.79787	7.6
71.08632	1.9
74.37776	1.3
77.66982	1.5
78.55499	1.4
79.05490	22.3
81.07057	43.7
83.08613	9.5
91.05477	11.7
93.07044	22.1
95.08610	30.1
97.06549	2.4
97.10169	5.2
98.20808	2.0
98.98471	14.8
105.07050	7.0
107.08592	12.8
109.10152	15.7
111.08093	1.6
113.00018	67.3
117.06982	2.0
119.08589	7.2
121.10132	13.0
123.11692	7.3
125.44129	1.5
131.08568	4.2
133.10130	6.2
135.11728	8.5
137.00002	16.1
137.13295	3.3
145.10106	3.3
147.11671	5.1
149.09579	1.4
149.13268	4.8
155.01051	10.9
159.11694	3.6
161.13242	3.0
163.14790	2.8
169.02620	19.3
173.13260	4.3
187.03706	7.8
193.02620	3.7
201.16443	1.7
211.03601	2.2
237.22063	2.2
243.21071	6.4
261.22134	14.8
271.06146	2.3
303.93793	1.8
311.25766	16.4
317.24768	5.3
335.25803	100.0
336.26285	1.8
429.23639	1.8
447.25104	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	447.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
56.24971	0.7
57.03440	10.6
57.07077	37.2
63.81154	0.7
67.05229	0.7
67.05513	8.0
69.07074	6.5
69.22280	4.4
69.22704	2.6
71.08633	24.5
79.05524	0.7
79.25356	0.7
81.07056	8.3
83.08618	6.7
85.10186	12.3
89.06029	2.2
95.08617	13.0
97.10155	3.6
97.29154	0.8
98.98463	1.0
103.07619	1.1
109.10159	5.2
111.11727	1.1
123.11726	2.1
125.90091	0.7
134.98193	100.0
152.99272	2.0
176.00919	1.6
209.01874	2.5
220.50105	0.8
239.23647	0.8
257.24701	1.4
271.06036	7.1
313.27377	56.6
314.27634	1.0
335.25623	3.7
447.24823	70.9
448.25143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68779	0.5
53.03948	1.0
55.01859	1.5
55.05516	3.7
56.96550	1.6
57.03436	3.0
65.03928	0.7
67.05508	4.2
69.03440	3.0
69.07059	1.5
69.23572	4.6
71.04984	1.4
73.02909	1.2
79.05503	3.2
81.03421	17.8
81.07059	5.1
83.04983	7.1
83.08208	0.5
83.08627	5.2
85.02902	5.6
91.03937	0.5
91.05478	4.4
93.07048	3.1
95.04979	4.8
95.08604	2.4
97.02897	4.6
97.06565	0.9
97.10152	1.3
98.21429	1.2
98.97581	1.0
99.00810	0.6
99.04439	0.7
103.03919	0.7
105.07021	4.0
107.04987	1.1
107.08601	2.1
109.02887	1.0
109.06509	1.2
109.10146	1.4
111.04466	2.7
111.08087	3.2
112.99143	0.7
113.06079	0.5
116.98580	0.6
117.07010	0.6
118.02812	0.6
119.04945	2.4
119.08595	3.9
121.02859	0.7
121.06485	0.5
121.10124	2.2
123.08062	0.7
123.11665	0.5
125.09631	0.6
127.03873	1.2
129.05492	3.4
129.06981	1.8
131.00198	1.1
131.08540	1.6
133.06447	0.6
133.10123	1.4
137.09656	0.6
147.07985	0.8
147.11682	3.3
148.18967	0.4
149.01213	1.6
149.09579	1.4
153.01828	4.1
154.92146	0.5
156.03709	1.0
157.10158	3.2
158.99628	0.6
165.12770	1.1
167.54478	0.7
175.11191	3.5
177.00691	0.7
193.12254	12.1
194.12582	0.6
211.13301	9.4
219.01637	0.5
224.08098	3.4
227.12759	1.0
229.07507	0.7
229.14334	0.9
247.05980	0.7
252.09547	0.8
267.15906	4.0
271.06027	100.0
272.06430	1.9
285.16968	28.7
292.12537	3.7
292.62726	2.1
293.05783	0.6
305.10635	4.6
305.60880	0.8
429.21222	5.6
447.09378	3.1
447.21997	0.6
447.27676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01871	0.9
55.05507	1.6
57.03437	3.9
60.04507	0.4
61.02644	0.6
61.02933	7.9
65.03958	0.4
67.01842	0.7
67.05505	4.6
69.03143	0.3
69.03439	4.4
69.07068	2.3
70.81206	0.8
71.01360	0.4
71.04986	1.4
73.02916	4.2
79.05486	3.0
81.03419	4.1
81.07062	12.4
83.04990	1.8
83.08609	1.2
85.02425	0.6
85.02910	8.0
85.06528	1.0
86.09710	0.5
87.04482	0.5
91.03964	4.7
91.05487	5.0
93.07048	2.8
95.04969	0.5
95.08610	2.9
97.02894	6.0
97.06541	1.3
99.04446	1.2
99.08084	0.9
101.02390	2.1
103.03926	0.9
105.07033	6.8
107.04971	0.5
107.08605	2.1
109.02876	2.0
109.06519	0.8
109.10138	0.6
111.04456	0.5
113.06098	0.3
117.05471	0.4
119.04930	1.5
119.08582	5.2
121.02840	0.6
121.10139	3.6
123.08057	0.6
123.11716	4.2
127.03925	4.6
127.07583	0.6
129.05504	0.4
129.07057	0.4
131.08545	0.4
132.10233	0.8
133.10114	1.2
135.04318	0.5
137.09593	0.5
145.02789	0.7
145.04980	0.8
145.10115	0.6
147.11691	14.3
149.09593	0.6
151.11385	0.4
153.01825	4.5
157.10094	0.6
157.45789	0.3
163.03903	1.1
165.12775	8.8
173.02347	0.7
175.11189	1.0
183.06580	1.5
183.13794	2.4
187.03867	0.7
193.12274	1.5
195.43263	0.3
199.03983	0.5
199.16873	0.6
201.05661	0.3
201.07643	1.0
211.13322	0.6
213.05510	0.5
219.13527	0.8
229.05078	0.6
229.14355	5.1
241.54517	0.3
267.13684	0.5
267.15970	6.4
271.06024	100.0
272.06323	1.7
285.16977	12.2
287.60046	0.4
309.17010	0.7
311.12769	0.8
313.16483	0.9
327.18185	0.5
355.15265	2.1
393.19141	0.6
406.42691	0.3
411.20087	1.3
429.21176	1.7
447.09149	3.3
447.22296	3.1
447.32120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	6.6
71.55438	0.7
76.88263	0.7
83.23588	0.6
85.02862	0.6
85.78756	0.6
86.06068	18.5
87.04471	54.1
104.07106	100.0
176.01225	0.7
191.98228	2.1
199.30014	0.7
234.27713	0.6
274.57916	0.7
286.72070	0.7
446.17850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0922
Annotation	Baicalin
Peak:m/z	Relative Intensity
50.22837	0.1
65.03933	0.2
66.08852	0.1
66.67419	0.1
66.93251	0.1
67.01861	0.4
68.99787	0.2
69.39445	1.1
71.53382	0.1
76.67514	0.2
85.02914	0.2
91.05477	0.1
98.21453	0.3
101.15681	0.1
116.13246	0.2
119.04944	1.9
121.02850	0.6
122.64797	0.1
145.02834	0.6
153.01833	5.2
160.13882	0.1
163.03896	0.4
171.02888	0.2
171.70251	0.1
183.16237	0.1
185.07721	0.1
187.03914	0.2
225.05394	0.3
229.05026	0.2
243.06583	0.3
257.60504	0.2
271.06006	100.0
272.06320	0.7
447.09219	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	5.0
55.05519	41.0
55.14795	4.7
57.07083	38.7
66.63083	4.4
67.05502	20.9
69.07071	88.2
70.07307	23.4
71.08639	27.5
79.05489	16.7
81.07072	67.3
81.14044	4.9
83.08638	62.0
85.10188	12.3
91.05474	9.9
93.07054	31.9
93.07539	5.2
95.08612	59.9
97.06547	5.0
97.10195	31.2
98.20911	6.3
105.07034	6.3
107.08614	26.6
109.06547	5.2
109.10114	22.9
111.08094	9.6
111.11720	26.9
117.27361	4.5
119.08593	5.7
121.06535	10.6
121.10153	21.0
123.08060	5.8
123.11719	17.0
125.13274	5.4
133.10150	6.2
135.11696	17.7
137.05981	14.6
137.13316	5.5
139.07561	100.0
149.13258	15.4
151.07526	6.4
163.14864	19.5
165.05478	17.0
165.09123	19.7
175.11136	5.5
185.13464	5.8
193.08505	23.1
203.10742	6.9
217.12161	5.6
221.11787	6.6
289.28964	27.2
307.30045	20.4
333.55484	4.9
363.32901	4.9
401.87518	5.0
417.37515	10.1
421.12689	5.2
427.35620	8.4
445.36740	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	445.2913
Annotation	Broussonetine J
Peak:m/z	Relative Intensity
51.70309	0.4
55.05511	0.6
56.05037	3.3
60.04525	2.3
60.04770	0.4
60.62781	0.3
61.70874	0.4
66.57512	0.3
67.05508	0.7
69.86089	1.4
70.06594	0.7
79.05506	0.6
80.05019	0.7
81.07051	0.7
82.06580	1.1
83.63842	0.4
84.04508	1.5
84.08147	100.0
85.08460	0.4
91.05487	0.5
93.07018	0.4
94.06573	1.5
95.08611	0.4
96.08111	0.9
98.09709	1.5
107.08602	0.6
108.08160	0.4
109.06521	0.5
110.09689	1.3
114.05502	0.4
114.09183	0.6
117.06918	0.5
122.09736	0.7
126.09160	24.7
131.08585	0.5
131.53841	0.4
133.92346	0.4
134.09573	0.5
148.11140	0.4
154.12283	0.4
174.12781	0.5
216.17230	0.4
227.12827	0.5
236.20163	0.8
246.16898	0.5
260.18457	0.6
262.35367	0.4
270.17209	0.9
271.21667	0.6
272.20120	0.4
277.22882	0.5
284.10614	0.4
284.18689	2.3
289.22797	1.3
290.20987	0.5
302.19775	0.7
325.24893	2.5
331.23779	0.8
349.24924	3.4
367.25949	6.6
385.27078	3.1
391.25836	1.1
409.26947	9.8
427.28058	88.9
428.28409	0.9
445.29147	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
56.04790	0.5
56.05038	6.7
57.03436	0.5
60.04530	3.4
61.12100	0.5
67.05492	1.5
68.05018	0.7
69.87654	1.6
70.06585	1.5
71.04989	0.5
72.04520	0.8
75.96990	0.6
79.05498	1.7
80.05021	1.6
81.07061	2.8
82.06588	1.6
83.40461	0.4
84.04494	3.6
84.08144	98.6
86.06070	0.8
91.05486	1.3
93.07021	1.2
94.06567	2.7
95.08604	1.5
96.04496	0.6
96.08139	1.3
97.08923	1.3
98.06025	0.6
98.09695	9.4
98.21482	0.7
98.65909	0.4
107.08651	0.6
108.08123	0.6
110.06019	0.5
110.09702	2.9
114.05556	2.6
114.09156	0.6
119.08586	0.6
122.09640	0.6
124.11251	1.3
126.09154	16.9
132.06494	0.7
134.09686	0.6
136.11240	1.3
148.11215	0.9
151.00952	0.4
154.12273	1.3
164.14360	0.8
168.13965	0.7
172.13351	1.4
174.12839	1.1
180.13855	1.6
192.13843	0.9
192.17583	0.5
210.14952	1.5
228.15865	3.4
236.20099	1.9
246.17000	8.1
248.20052	0.6
251.21275	0.7
270.17038	6.9
271.21667	1.0
277.22736	1.1
284.18567	1.0
288.18109	1.0
289.22839	2.0
302.19553	1.0
307.23877	1.5
325.24863	8.6
331.23727	0.8
349.24973	2.8
367.25922	28.9
369.81934	0.5
385.26904	5.5
403.28009	0.8
409.27084	5.3
427.28049	100.0
428.28189	2.0
445.29099	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	445.2906
Annotation	Broussonetine J
Peak:m/z	Relative Intensity
51.36663	0.4
55.05493	1.2
56.05036	5.1
60.04264	0.5
60.04517	3.4
65.43777	0.4
67.05495	1.5
68.24442	0.4
69.07066	0.9
69.30117	3.5
69.30535	1.4
70.06596	1.1
72.04534	0.5
79.05490	1.4
80.05009	0.8
80.75305	0.5
81.07059	0.7
82.06586	1.1
83.36823	0.5
84.04494	1.5
84.08143	79.0
85.02926	0.5
85.08448	0.6
91.05489	0.9
93.07056	1.1
94.06571	1.9
95.08597	0.7
96.08125	2.7
97.08910	1.4
98.09692	2.3
105.07021	0.5
108.08119	1.5
110.06036	0.7
110.09682	6.6
114.05524	1.2
114.09167	2.1
120.08093	0.6
122.09647	1.4
123.10461	1.1
124.11253	1.6
126.09132	2.6
131.08527	0.7
132.06578	1.3
134.09686	0.5
136.11200	2.4
138.12744	0.5
146.09602	0.5
148.11134	0.6
150.12790	0.7
150.33315	0.6
154.12259	0.7
162.12814	0.7
174.12799	1.6
176.14359	0.9
178.15982	0.8
192.13817	1.1
192.17534	0.9
204.17496	1.1
216.17487	0.6
228.15994	0.8
236.19960	2.5
247.21779	0.7
248.20061	1.3
251.21149	1.0
259.21719	0.8
262.96384	0.5
265.22589	0.5
270.16913	0.7
271.21732	2.5
277.22705	2.8
284.18890	0.8
285.72430	0.5
289.22772	3.7
307.23801	2.1
325.24847	12.7
331.01633	0.5
343.26001	0.7
349.24741	3.8
367.25922	41.2
385.26913	8.8
409.26987	1.0
427.28024	23.5
439.60379	0.6
445.29099	100.0
446.29474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01871	2.6
55.05505	9.2
55.61934	1.1
56.00051	1.3
56.96571	2.1
57.03442	14.9
57.07085	1.7
59.04985	2.4
61.02944	2.0
65.03931	1.9
67.05508	45.0
69.03430	17.5
69.07064	8.5
70.05407	4.9
70.05766	1.3
70.06582	1.8
71.04998	100.0
73.02899	1.7
79.05495	17.6
81.03425	25.9
81.07062	60.2
83.01359	1.6
83.04990	13.9
83.08633	6.4
84.08163	1.5
85.02914	10.3
85.06547	10.1
86.09743	1.7
87.04474	3.2
91.05479	39.0
91.06007	2.7
93.07055	19.5
95.04985	5.5
95.08609	10.4
97.02906	35.4
97.06546	10.2
97.10198	2.2
98.06075	1.8
98.97594	2.4
99.04489	5.9
99.08125	1.9
103.03944	3.3
105.07037	20.6
107.04989	2.8
107.08601	17.8
107.44379	1.3
109.02878	8.0
109.06522	3.1
109.10155	12.4
111.04462	5.4
111.08083	2.2
111.34772	1.3
114.34396	1.1
117.07033	3.2
119.08573	3.0
121.06551	1.6
121.10119	5.8
123.11707	15.0
125.06031	1.3
125.09679	2.6
127.03909	12.0
129.05495	4.3
131.08598	5.4
133.06549	1.4
133.10155	34.1
135.08076	1.3
135.11728	4.3
137.06015	1.6
137.43361	1.2
139.07704	1.4
147.11702	2.4
149.13249	7.4
151.07564	1.4
151.11211	15.9
157.10074	2.1
158.11787	4.6
159.11700	8.4
161.05969	1.4
165.12860	1.7
169.12311	3.2
173.04475	7.1
177.12743	10.8
179.14340	1.5
183.06567	3.5
183.13806	10.2
187.13309	25.7
193.12276	1.6
195.12241	1.5
195.13780	7.9
201.07597	1.7
201.14873	20.1
207.13896	1.3
213.14813	2.4
239.16252	1.5
243.15953	5.5
254.17567	1.5
257.17505	60.9
267.66061	1.4
269.17374	6.4
283.12213	2.5
283.18970	2.4
285.17114	1.5
297.16873	1.7
301.20175	10.3
321.17001	2.3
339.18274	3.4
359.03210	1.3
377.19604	1.4
395.20712	4.4
413.21664	15.4
427.23260	2.1
427.28586	1.7
436.82965	1.5
445.18768	3.7
445.24399	90.8
446.27487	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	445.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01862	3.8
55.05516	9.7
56.96572	2.2
57.03197	1.1
57.03442	13.2
57.07077	2.0
61.92950	1.0
67.05508	20.2
69.03419	5.3
69.07063	7.0
71.04986	2.3
71.15217	1.2
71.15535	2.2
73.02905	2.1
77.32665	1.2
79.05496	21.1
81.03419	9.2
81.07058	27.7
83.04965	2.9
83.08611	3.6
85.02888	2.3
85.06539	2.1
91.05473	22.4
93.07049	27.3
95.04954	2.1
95.08035	2.2
95.08604	17.7
97.02888	5.5
97.06518	3.5
97.10161	1.6
99.04436	1.7
103.03966	1.6
105.07029	24.4
105.71272	1.3
107.04901	1.2
107.08595	18.6
109.02887	1.8
109.10167	8.2
111.07991	1.2
113.00021	63.0
117.07011	8.3
119.08581	28.6
121.06548	2.3
121.10149	16.1
123.08044	1.7
123.11681	1.9
125.09660	1.4
127.03912	3.4
128.06160	1.8
129.05493	8.2
129.06976	5.7
131.08565	13.5
133.10129	19.9
135.08099	1.5
135.11697	13.2
137.09627	1.5
143.08563	4.9
145.10132	11.8
147.08054	1.7
147.11682	16.5
149.09631	1.5
149.13260	9.3
153.12704	1.5
155.07028	3.7
157.10120	7.5
159.11700	8.5
159.12848	1.2
161.13274	18.7
163.11198	4.0
163.14799	4.8
169.02670	6.8
171.11705	8.2
173.04373	1.4
173.12013	1.5
173.13264	10.4
175.14822	16.2
181.12201	1.7
185.13214	7.2
187.03667	9.3
187.14824	3.4
189.12785	1.4
191.10686	1.5
199.14822	5.7
209.11740	4.0
215.17944	4.9
217.19489	6.3
222.52115	1.2
227.12737	4.6
231.21071	4.3
241.19511	36.8
243.21095	4.4
259.20569	34.0
277.21628	2.4
278.73389	1.3
283.15286	1.6
315.23206	3.8
333.24237	100.0
334.24466	1.9
359.02551	1.6
427.22186	2.1
445.20050	9.0
445.30313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	21.6
57.03436	5.9
57.07074	8.8
61.37681	0.7
62.24234	0.8
67.05508	3.5
69.07072	23.6
70.67685	0.7
70.74153	2.1
71.08642	5.6
79.05481	2.1
81.07047	2.3
83.04992	1.0
83.08625	17.7
85.10169	2.1
93.07054	2.0
95.08600	3.1
97.06497	2.0
97.10174	11.9
107.08576	2.1
109.10180	0.7
111.11722	3.3
121.10149	2.7
122.93295	0.8
125.13248	0.8
134.98192	100.0
135.11681	1.3
149.13173	0.9
152.20464	0.7
152.99100	0.8
176.00867	1.5
177.75426	0.8
265.19049	0.8
311.25818	29.7
333.23984	10.4
351.25278	1.2
445.23288	70.1
446.23889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49456	0.8
51.02362	1.0
51.12286	0.8
53.03943	1.5
55.01882	2.4
55.05294	0.7
55.05498	4.2
57.03436	11.3
59.46603	0.9
65.26952	0.9
67.05505	17.4
69.03441	2.5
69.07054	5.8
69.35747	0.9
69.75516	3.7
71.05003	2.7
73.56480	0.9
75.04454	0.9
79.05487	18.4
79.05902	1.3
81.02975	0.8
81.03430	3.0
81.07058	21.5
81.07516	1.4
83.04975	1.2
83.08610	4.2
85.02880	0.8
85.06557	2.2
91.05476	21.1
91.05999	1.5
93.07046	26.2
93.07628	1.4
94.50262	0.9
95.04959	0.8
95.08603	16.1
97.02924	1.9
97.06517	1.6
97.10170	1.2
99.04471	1.9
99.08100	0.9
103.03900	1.8
105.04563	0.9
105.07035	23.6
107.08596	15.5
109.06551	1.5
109.10150	5.8
113.00018	56.4
117.07014	6.9
117.07582	0.7
119.08580	25.4
121.06606	0.9
121.10142	11.8
123.11752	1.0
127.04991	0.8
129.05479	4.6
129.06966	4.0
131.08572	11.1
133.10132	17.0
135.08092	0.9
135.11685	11.0
143.08524	4.1
145.10124	10.7
147.11694	14.1
149.13292	5.5
155.07043	2.2
157.10094	5.8
159.11700	9.0
161.09650	1.2
161.13243	17.0
163.11235	2.4
163.14792	4.1
169.02626	5.6
171.11674	8.6
173.13274	8.8
175.11125	1.3
175.14827	10.7
177.12758	1.2
185.13269	6.4
187.03641	9.8
187.14853	2.9
189.12811	2.0
189.16414	1.3
199.14780	4.5
203.14468	1.0
209.11865	2.0
213.16447	1.6
215.17960	5.8
217.19537	6.1
231.21165	3.6
241.19518	33.8
243.21135	2.4
259.20581	32.1
275.20074	1.9
277.21613	2.1
287.12411	1.7
289.21930	0.8
304.19891	0.8
315.23318	3.4
333.24225	100.0
334.24765	1.5
363.11084	1.6
445.20334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91351	0.5
55.05508	5.7
57.03425	1.3
57.07062	1.8
69.06795	0.5
69.07071	6.2
69.49250	3.9
71.08611	1.7
73.05626	0.6
80.45856	0.5
81.07070	0.7
83.08618	6.1
85.10209	0.8
89.81741	0.5
93.07033	0.8
95.08598	0.7
97.10176	3.7
111.11727	0.9
134.98190	16.7
134.99179	1.2
209.01883	1.7
284.49667	0.6
293.05463	0.5
311.25851	6.6
329.24725	0.5
333.23944	1.4
351.25107	2.8
413.20587	2.0
427.22415	2.6
445.23276	100.0
446.23737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	2.5
55.05511	4.8
56.96561	0.9
57.03439	6.1
61.02917	1.5
67.05504	7.4
69.03436	13.1
69.07071	2.3
71.01357	0.8
71.04980	2.2
71.57216	0.7
73.02906	1.1
79.05500	5.7
81.03419	14.3
81.07075	5.0
83.04985	5.3
83.08622	2.1
85.02914	6.2
85.06523	0.9
87.04464	1.1
91.05472	4.7
91.40472	0.6
93.07058	6.2
95.04968	2.4
95.08612	2.7
97.02890	12.7
97.06524	1.5
97.10184	2.0
98.97595	1.1
99.04476	3.3
101.02443	0.9
103.03945	1.6
105.07040	3.2
107.04961	2.4
107.08593	4.2
109.02896	3.3
109.10169	3.9
111.04423	3.7
111.08084	1.3
113.00002	3.5
117.07042	1.5
118.67570	0.6
119.08606	4.1
121.06534	1.0
121.10172	2.9
123.08112	1.2
125.09653	2.0
127.03931	9.0
129.05478	1.7
131.08565	2.1
133.10129	1.3
135.08057	0.7
135.11707	4.8
137.06024	0.7
139.11238	0.9
143.10716	0.8
145.10117	3.0
147.08101	1.3
147.11684	0.9
148.14041	0.6
149.01297	0.9
149.09634	0.7
153.12761	5.7
163.11189	8.4
169.02690	1.1
169.82129	0.6
173.04466	4.4
173.09610	2.0
173.11774	1.6
181.12294	2.3
183.06496	1.3
185.13260	0.9
189.11276	1.2
191.10631	3.7
199.13353	1.5
201.07556	0.7
209.11763	11.9
209.13661	1.0
211.13312	0.6
213.09636	0.7
227.12845	11.6
229.14322	1.2
231.10666	1.0
236.75854	0.6
257.13940	1.9
259.20764	1.2
267.09042	1.3
273.13440	0.9
283.15399	4.1
299.15216	0.9
301.16483	2.5
315.11093	1.7
324.11621	1.1
333.24353	3.4
342.52243	0.8
353.16064	1.4
391.21445	0.9
409.22571	2.1
420.17700	1.0
427.23947	8.7
445.20532	20.0
445.25751	100.0
446.26035	1.7
468.25815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01866	2.3
55.05518	4.4
56.05035	3.2
57.03436	2.6
57.48449	0.5
59.04987	0.6
59.64948	0.4
60.04525	1.9
61.02935	2.4
67.05510	4.3
68.99779	0.5
69.03426	10.3
69.07055	1.7
69.30988	4.6
70.06587	1.7
70.12747	0.4
71.01373	0.6
71.04983	1.4
72.04529	0.7
72.08146	0.7
73.02911	1.7
73.30718	0.5
79.05500	4.1
79.65116	0.5
80.05029	0.9
81.03421	8.5
81.07059	5.0
82.06603	0.9
83.04996	1.8
83.08635	1.1
84.04514	1.5
84.08146	89.3
85.02908	14.7
85.03416	0.5
85.06532	1.4
85.08461	0.6
86.09708	1.7
87.00838	4.9
91.03936	0.6
91.05457	4.3
93.07043	7.4
94.06583	1.3
95.04982	1.5
95.08614	3.8
97.02901	5.4
97.06538	1.3
97.08911	0.5
97.10167	2.1
98.09680	1.2
98.21508	1.2
98.97603	0.8
99.04461	1.8
103.03946	0.8
105.01863	2.6
105.07033	6.0
107.04956	1.2
107.08600	28.7
108.08102	0.5
109.02888	5.6
109.06538	0.7
109.10161	3.2
110.06014	0.7
110.09695	1.2
111.04425	1.0
114.05487	0.7
117.07019	1.2
119.04955	0.6
119.08579	5.4
120.08125	0.9
121.06488	1.4
121.10151	4.8
123.08102	0.5
123.11709	0.6
125.09648	1.9
126.09156	23.3
127.03913	10.2
129.01823	0.7
129.05498	0.7
131.08566	1.1
133.10132	15.9
135.08076	1.8
135.11728	2.6
136.11240	0.8
137.05991	1.5
137.09630	1.5
139.07550	1.1
143.08566	0.5
145.04970	2.3
145.10135	1.9
147.04393	1.3
149.09616	3.1
151.07484	0.6
151.11200	5.2
155.94220	0.5
157.10159	0.8
159.02908	2.1
161.09602	5.0
163.04002	0.5
163.07576	0.6
163.11156	1.9
167.10695	9.8
173.13219	0.5
179.10675	14.7
181.12234	1.0
191.10666	0.6
197.11737	100.0
213.04018	1.3
227.12794	1.4
231.04951	2.5
246.17178	0.7
247.13327	0.8
248.13640	1.9
248.20207	1.1
251.21216	0.7
265.17975	0.8
270.17105	0.7
282.14456	0.5
283.06113	0.8
283.15399	1.7
284.18643	1.5
289.22787	1.2
290.21201	0.7
302.19757	0.8
317.78128	0.6
325.24872	2.0
327.26334	0.9
331.23914	0.6
339.49557	0.6
349.24734	3.5
359.02942	0.8
367.25922	5.4
385.26895	2.2
391.25900	1.3
409.26944	8.3
427.15924	1.6
427.28046	73.3
445.16699	6.1
445.29337	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	444.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22947	2.9
53.03931	6.8
55.01844	3.1
55.05513	27.7
57.03424	2.9
57.07061	5.6
61.09791	2.9
67.05509	47.2
69.07078	25.3
69.97899	6.6
69.98308	11.3
79.05062	5.2
79.05494	78.2
81.07059	41.2
83.08609	9.5
85.06538	5.3
86.09708	6.7
91.05484	29.0
93.07048	100.0
95.04969	7.8
95.08607	39.1
97.06551	4.3
97.10177	5.0
105.04513	3.5
105.07025	24.1
107.08601	52.8
109.10171	17.3
112.84745	3.3
112.99982	3.3
117.07000	9.3
119.07817	3.0
119.08569	19.0
121.10153	59.1
123.11692	7.9
131.08560	6.8
133.10139	19.7
135.11702	62.5
143.08578	4.3
145.10144	6.6
147.11653	13.9
149.13264	30.4
159.11674	7.3
161.13258	9.5
163.11227	4.1
163.14812	13.0
171.11642	5.6
175.14804	6.4
177.12650	3.9
185.13268	3.7
193.88405	3.0
199.14954	3.7
209.15524	4.1
235.17064	3.3
241.19485	9.9
259.20612	15.6
264.78134	3.1
282.14688	3.9
291.23190	88.1
316.28491	3.9
359.48566	3.1
444.23367	3.6
444.30801	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	444.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01865	9.3
55.05519	28.8
57.03450	3.9
57.07076	4.3
63.31955	2.7
67.05511	85.3
69.03413	12.4
69.07078	24.7
69.61533	20.4
71.04985	6.9
79.05504	34.2
81.03405	10.2
81.07053	39.6
82.15415	2.7
83.04962	8.6
83.08635	19.5
83.46830	3.1
85.06532	3.5
86.06066	3.7
91.05487	39.9
92.86600	3.0
93.07044	43.2
95.04949	11.5
95.08611	74.6
97.02866	4.3
97.06549	5.8
97.10164	20.7
97.10685	3.2
105.07028	28.5
107.04958	7.7
107.08609	23.5
109.06493	6.0
109.10165	47.2
112.99982	3.6
117.07021	10.7
119.08578	38.2
121.06487	5.5
121.10146	21.6
123.08060	8.2
125.09595	14.1
131.08597	17.4
133.10127	22.9
135.08058	8.9
135.11673	7.5
137.09642	34.8
139.11171	12.7
143.08582	5.4
145.10124	19.2
147.11702	14.6
149.09567	9.1
155.10648	8.0
157.10162	3.8
159.11694	8.8
161.13348	5.1
163.11226	8.8
165.09053	4.2
171.11630	5.2
173.11731	8.6
183.10187	4.5
183.11717	5.1
189.11226	13.1
203.12762	8.9
207.13797	5.0
211.13199	3.6
217.15800	3.3
221.93011	3.1
229.19510	4.0
239.17955	7.4
239.40672	3.2
247.20622	3.7
257.19101	16.9
275.20087	100.0
287.11185	7.0
293.21112	92.6
293.24274	6.2
301.12683	6.4
333.24533	5.0
334.65915	3.3
349.17688	3.0
374.06335	3.1
391.21191	6.6
409.22064	16.5
426.22662	4.0
444.24036	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	444.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.1
56.96556	5.1
57.03429	11.4
61.02910	13.0
66.12784	4.1
69.03429	42.9
70.06596	31.4
70.37264	3.3
70.46489	12.3
71.05035	4.1
72.08129	12.5
73.02908	16.9
81.03400	10.1
84.08130	6.8
84.90638	4.1
85.02907	100.0
86.09703	5.8
87.04437	9.0
88.43687	4.0
91.03948	6.3
91.05428	4.1
94.06525	7.5
97.02886	32.3
98.97562	13.0
99.04435	9.5
101.00874	4.5
104.53060	3.3
109.02846	8.7
115.03942	4.7
116.07110	21.5
116.98624	6.4
119.01873	12.9
127.03934	48.9
129.10165	3.6
131.01862	5.0
133.03406	4.0
138.05455	4.4
143.01921	29.3
145.03604	6.4
145.04932	40.2
147.03127	3.5
147.04359	16.3
148.04767	9.3
153.03883	6.1
155.01866	13.0
156.03560	4.6
157.03484	5.2
161.02992	23.2
161.04124	4.2
173.02882	24.1
174.03076	4.5
174.04468	10.3
182.03604	4.4
183.04987	21.0
185.02943	27.1
189.00653	5.0
191.03992	11.0
191.54073	4.0
192.05484	16.2
197.02913	6.7
200.04324	5.3
203.04018	23.1
219.01738	5.6
220.06862	6.1
227.03926	6.6
228.05782	4.8
229.07384	7.6
233.78035	4.7
237.06296	5.0
245.05118	57.1
246.05211	7.0
257.05240	6.1
263.06015	20.5
264.07553	20.2
266.31039	4.4
272.06595	8.2
272.56732	11.1
273.08252	54.7
273.58502	5.3
275.06219	6.8
277.07803	5.4
281.57129	4.1
293.07074	6.8
305.07098	4.6
365.09244	13.6
425.11548	21.6
444.16510	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	443.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.07070	3.1
67.05505	2.2
69.07059	1.2
69.38615	0.7
71.08640	1.7
71.28290	1.2
75.48632	0.8
78.71169	0.7
79.05492	2.7
80.14629	0.7
81.07057	2.9
85.10203	1.4
87.04453	1.3
93.07043	3.0
95.08609	2.6
101.94091	0.7
105.07035	1.2
107.08619	1.0
113.00029	1.4
119.08554	1.7
121.10159	1.2
135.11682	1.3
153.05235	100.0
169.02621	2.2
194.07870	1.5
313.21387	38.2
313.27237	1.7
314.27673	9.9
333.96695	0.8
443.33560	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	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81902	0.6
56.05034	3.4
60.04520	1.5
60.05647	5.7
69.07072	8.0
70.06596	26.5
71.04987	0.8
71.13622	0.8
71.13961	1.3
72.04498	0.6
72.08171	3.4
73.70968	0.5
79.05490	1.6
80.05019	3.0
81.03426	0.7
81.07054	1.3
82.06584	1.4
82.56168	0.5
84.08147	59.1
85.02898	1.2
86.09709	90.1
91.05502	1.7
93.07060	1.0
94.06581	1.8
95.08605	0.8
96.08149	2.1
97.08921	1.7
98.09672	3.0
105.07037	0.9
106.06574	1.0
107.83187	0.6
108.08162	1.2
110.09669	4.4
112.08748	2.7
113.07168	1.0
114.09188	1.8
115.08694	3.9
116.07100	7.1
119.08559	0.6
120.08129	1.2
122.09680	1.7
123.10477	1.5
124.11222	1.1
126.09178	1.4
128.10730	16.2
128.11662	0.6
130.09760	2.8
133.09792	0.8
134.09644	1.2
136.11259	2.7
148.11272	1.3
150.12764	1.1
156.10188	1.3
156.11331	8.1
158.09261	6.1
162.12845	2.0
164.14429	0.8
166.12321	0.9
175.11937	15.9
176.14531	0.7
178.15924	0.8
188.14427	0.8
190.12354	1.4
192.21825	0.6
204.17560	0.7
225.90443	0.6
229.15419	3.9
236.20091	0.9
244.15462	0.9
245.20210	0.6
257.20132	0.7
258.81097	0.6
259.21713	7.4
263.21512	1.0
264.19629	7.8
269.20389	1.8
271.17636	5.4
282.20840	1.1
287.21179	17.4
288.20456	1.1
305.22427	2.8
347.23657	2.5
365.24374	9.7
383.25436	3.4
388.78610	0.6
389.24280	0.8
401.27014	0.6
407.25595	0.7
425.26483	12.6
425.31689	0.9
443.14932	2.0
443.29486	100.0
444.29865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55129	0.3
55.05508	0.9
56.05028	2.5
56.96567	0.5
57.03445	0.4
60.04525	0.9
67.05489	1.0
67.60011	0.3
68.05046	0.3
69.03413	0.5
69.07073	0.8
69.58630	2.1
70.06590	2.3
72.08151	1.3
79.05495	1.1
79.88998	0.3
80.05013	2.6
81.03422	0.6
81.07057	1.5
82.06574	0.4
83.04988	0.5
84.04501	0.5
84.08142	100.0
85.02906	0.4
86.09700	1.6
87.04452	0.5
91.05480	1.2
93.07050	1.0
94.06551	0.7
95.08608	0.8
96.08150	1.0
97.06532	1.4
97.08913	0.4
98.06056	0.3
98.09702	1.9
98.97585	0.9
105.07030	1.2
106.62814	0.3
107.08607	0.7
108.04457	0.4
110.09678	1.5
114.09188	0.8
119.04952	1.9
119.08585	0.5
120.08061	0.7
121.10129	0.7
122.09647	0.5
124.11239	0.8
126.09155	30.3
127.03917	0.4
131.08554	0.5
133.10101	0.6
134.09613	0.5
145.10068	0.5
146.09622	0.3
147.04402	6.3
148.11238	0.6
150.12791	0.4
153.01788	0.3
160.57910	0.3
161.09656	0.4
162.12758	1.0
163.03908	0.5
166.12320	0.7
169.09166	0.3
173.13266	0.3
188.14244	0.4
190.12267	0.6
208.13322	0.3
209.15425	0.4
213.16158	0.4
215.06960	0.5
237.02660	0.5
238.21758	0.4
243.17210	0.4
244.15399	0.6
244.20882	0.3
245.20329	0.3
259.09869	0.6
259.21683	2.5
260.20071	0.5
261.15366	0.3
261.23422	0.5
264.19629	2.1
269.20172	0.9
270.86816	0.3
272.63187	0.4
277.22809	0.6
286.16727	0.4
287.03708	0.4
287.21161	6.0
289.05240	0.4
297.25354	8.2
300.18042	0.7
305.22162	1.3
318.19083	0.6
319.23770	0.8
321.12222	0.4
325.22131	0.4
329.22336	0.7
333.13235	0.5
347.23303	8.6
365.24396	4.6
383.25574	1.0
389.24310	3.5
401.26382	0.4
407.25436	1.2
408.81421	0.4
411.25708	1.4
425.26468	64.8
426.26855	1.3
435.15503	0.6
443.13303	0.9
443.19037	1.8
443.28268	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	443.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.05046	2.4
59.09346	0.5
60.04547	0.6
65.78549	0.5
67.05501	1.4
69.03455	0.5
70.06600	1.5
71.28396	1.0
72.08154	3.0
79.05498	1.1
80.05016	2.2
81.07069	1.2
82.06586	0.5
84.08148	100.0
85.08481	0.6
86.09710	3.7
91.05493	1.7
93.07054	0.6
95.08607	0.8
97.08938	0.9
98.09700	1.4
101.58079	0.4
107.08617	0.8
109.10134	0.5
110.09682	1.8
113.56186	0.5
119.04937	2.9
120.08128	1.0
126.09162	28.0
136.07619	0.5
136.11273	0.9
147.04430	10.6
150.12854	0.6
162.12831	1.0
183.69774	0.4
185.16541	0.8
213.15968	1.0
238.21733	0.7
244.15593	1.3
249.98952	0.5
250.21736	1.2
251.11259	0.5
259.21729	2.6
260.20285	0.5
261.23489	0.8
264.19678	1.8
269.20041	0.8
287.21210	7.1
297.25397	14.5
301.22681	0.4
305.22363	1.6
315.12259	0.7
318.19891	0.5
319.23883	1.3
324.21848	0.5
333.13394	2.0
347.23285	8.2
351.14566	0.5
365.24380	4.9
383.25323	0.6
389.24207	2.4
401.27124	0.5
407.25046	0.6
425.26501	58.6
426.26801	1.5
443.18619	0.7
443.28619	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	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51340	2.6
53.03946	12.2
55.01862	10.8
55.05513	20.0
57.03443	25.1
58.34563	2.7
61.02931	34.0
62.51823	2.3
63.51538	2.2
65.03944	3.2
67.05505	54.4
69.03435	48.2
69.07069	14.3
70.06573	2.8
71.01347	3.5
71.04967	7.0
71.42693	3.4
73.02919	22.3
73.74544	2.9
79.05495	80.8
81.03420	41.3
81.07057	50.8
83.04989	17.3
83.08600	11.3
85.02428	4.6
85.02909	66.8
85.06531	3.9
87.00819	10.2
91.03971	13.4
91.05484	70.7
93.06476	5.2
93.07047	83.5
95.04969	24.9
95.08609	30.4
97.02897	43.4
97.06533	7.8
97.10167	4.7
97.12234	2.3
99.04459	13.4
101.02375	10.0
101.59540	2.5
103.03928	5.3
105.01871	13.4
105.07036	53.0
107.04971	13.2
107.08593	24.3
109.02873	16.7
109.06518	10.7
109.10161	8.0
111.04434	3.8
115.05392	5.6
117.07019	17.0
119.08573	29.6
121.06538	4.2
121.10136	8.4
123.08056	8.1
123.11767	3.8
127.03927	37.6
127.07572	2.8
128.06227	4.4
129.05540	3.6
129.07013	28.3
131.04916	4.5
131.08563	16.7
133.06503	8.0
133.10149	17.7
135.08096	3.9
135.11679	2.9
141.06976	4.2
143.08572	11.6
145.04944	11.0
145.06447	7.8
145.10126	17.3
147.08041	8.3
147.11696	44.7
149.06006	3.1
149.09615	3.6
149.13286	4.9
155.08572	4.5
157.06619	3.0
157.10112	3.9
159.11667	4.3
161.09627	10.6
161.13310	20.7
167.06985	3.4
169.10037	3.3
171.11693	34.6
173.09686	3.2
173.13315	4.3
175.07579	4.1
177.12782	2.9
183.06528	4.3
185.09689	2.9
185.13197	5.2
189.12733	19.6
191.14201	3.4
195.11862	3.2
199.11079	2.5
201.07707	4.0
207.13817	47.6
212.03455	2.9
221.15347	3.5
231.05107	4.6
257.15298	3.0
259.16846	4.8
269.15424	4.4
281.17493	100.0
287.16202	13.1
295.19199	4.2
309.16943	7.1
323.18347	5.3
329.06683	2.9
333.13315	8.9
343.19394	2.8
351.17941	3.7
361.20023	7.6
389.19742	4.9
425.12238	10.7
425.22018	6.4
425.26755	4.0
443.13190	11.6
443.22214	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	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60646	2.0
51.85930	2.0
53.03952	14.2
55.01869	9.5
55.05513	25.0
57.03441	29.3
57.07084	2.5
61.02927	55.1
65.03938	5.1
67.05508	65.5
69.03432	45.5
69.07067	13.7
70.81227	4.6
71.01363	5.0
71.04990	8.7
72.33962	2.3
73.02914	23.5
77.03938	3.5
79.05496	99.5
81.03423	42.4
81.07064	58.0
83.04986	17.6
83.08620	9.1
85.02907	64.4
85.06559	7.3
87.04491	4.5
91.03961	23.4
91.05485	79.6
92.39822	2.1
93.07049	94.8
95.04972	28.2
95.08607	31.9
97.02896	51.2
97.06551	7.2
97.10168	3.6
99.04471	14.0
99.08080	3.0
101.02374	12.3
103.03941	9.7
103.05488	2.2
105.07038	62.7
105.65834	2.1
107.04973	10.9
107.08590	24.6
107.40829	2.2
108.22321	2.2
109.02882	17.0
109.06517	7.2
109.10168	5.8
111.08096	4.4
115.03955	4.8
115.05453	2.5
117.07018	23.8
118.59105	2.2
118.97320	1.9
119.04977	2.1
119.08591	30.4
120.14342	2.0
121.06524	5.7
121.10152	8.5
123.08091	9.2
125.09682	2.2
127.03922	27.8
128.06303	4.4
129.05519	3.7
129.07005	30.9
131.04961	3.1
131.08566	16.6
133.10143	15.5
135.08044	4.1
135.11717	5.3
137.09610	2.4
141.07014	4.6
143.05157	1.9
143.08586	17.3
145.04976	7.2
145.06534	6.1
145.10126	20.6
147.08069	8.4
147.11699	54.3
149.09604	3.7
152.64375	2.1
155.08528	4.7
157.06544	3.9
157.10133	3.6
159.08093	2.9
159.11707	5.6
161.09619	9.1
161.13272	20.0
163.11253	2.5
167.08554	2.5
169.10210	3.0
171.08099	4.5
171.11693	50.5
173.04453	4.0
173.13239	4.2
179.14157	2.5
181.10095	4.0
183.06488	4.7
185.13293	3.8
189.12749	29.6
195.11880	3.0
201.07602	4.8
207.13815	61.0
207.15738	4.2
225.14772	4.1
233.15570	2.7
241.15953	4.7
242.10739	3.9
259.16956	5.1
267.92978	2.1
269.15417	4.7
281.17477	100.0
287.13623	2.0
287.16357	11.4
309.17023	8.3
323.18396	5.7
333.20908	2.2
338.78537	2.4
351.17953	2.6
361.20132	8.9
389.19638	4.7
399.19846	4.5
413.22626	2.3
425.21600	7.8
443.18146	21.1
443.24060	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	443.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
60.46109	0.2
65.33130	0.3
67.05510	0.4
69.03425	0.4
69.07069	0.4
70.07619	1.2
79.05496	0.6
81.03407	0.4
81.07054	0.5
84.04527	0.2
84.08127	0.3
85.02898	0.8
86.09666	0.2
91.05454	0.4
93.07057	0.5
95.04993	0.3
95.08614	0.7
97.02887	0.5
105.07036	0.5
107.08603	0.4
109.06519	0.3
109.10145	0.3
119.01938	0.3
119.08589	0.6
121.10130	0.6
127.03970	0.4
133.10162	0.5
136.94060	0.2
145.03516	0.6
145.04936	0.2
147.11661	0.3
155.01921	0.5
165.09161	0.4
185.04276	0.4
195.13606	2.1
205.12857	0.3
223.13054	0.7
227.05328	0.6
229.12784	0.4
255.14391	0.3
267.10675	0.3
271.04269	0.4
313.14838	0.3
339.11993	0.3
339.17761	0.5
357.18875	10.1
375.18723	0.7
381.18756	0.7
399.19910	30.1
400.20160	0.4
425.12048	0.3
431.35748	0.3
443.18893	100.0
444.19107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82373	0.5
54.03474	3.3
55.04246	3.7
61.02931	0.6
61.21434	0.5
63.05340	0.5
67.95892	0.5
69.03427	1.5
70.02953	0.7
71.56424	1.0
80.05011	1.0
81.04540	20.5
82.05324	8.9
85.02911	3.2
87.04436	0.7
97.02868	1.4
98.97566	0.9
99.04457	0.7
104.26226	0.5
108.05592	0.9
108.79250	0.5
111.38316	0.6
119.04906	0.7
122.07153	100.0
123.07936	97.5
126.03772	0.6
127.03882	0.5
144.04771	0.7
146.84135	0.6
147.04404	1.7
148.01378	0.5
160.04297	2.5
165.07674	3.9
172.04254	1.3
185.85170	0.6
281.10678	56.9
323.11710	1.3
443.15970	96.2
444.16226	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.81379	0.3
55.05507	0.8
57.07068	0.7
67.05511	2.1
69.03431	0.6
69.07072	2.4
71.34994	0.6
74.92900	0.3
79.05492	1.5
81.07055	5.9
83.04982	1.5
83.08623	1.1
91.05476	0.8
93.07048	3.9
95.04953	0.6
95.08610	10.2
97.06548	0.8
97.10176	0.6
105.07040	2.1
107.08601	7.1
109.06515	0.7
109.10159	5.9
111.08100	0.5
111.11713	1.1
118.33734	0.3
119.08579	3.8
121.06532	0.6
121.10151	6.8
123.08105	1.5
123.11705	3.6
125.09687	0.5
130.57027	0.3
131.08566	0.7
133.10133	3.8
135.08086	2.8
135.11691	7.7
137.09607	0.8
137.13266	2.3
139.11205	0.5
145.10109	0.9
147.08101	0.3
147.11696	2.2
149.09627	5.7
149.13254	1.8
151.11174	0.8
157.10072	0.3
158.65619	0.3
159.11700	1.4
161.09657	0.6
161.13261	1.6
163.11185	1.3
163.14842	1.1
171.11642	0.5
173.13293	1.3
175.11221	0.5
175.14827	3.3
177.12770	0.8
177.16412	4.1
179.14336	0.4
185.13277	0.7
187.14824	1.1
189.16405	2.6
191.17960	2.1
199.14839	0.6
203.18001	0.6
203.31631	0.3
205.19508	0.7
207.17455	0.6
213.16400	0.9
215.18001	2.1
217.15916	0.7
217.19542	0.5
227.17889	0.3
229.19572	0.5
231.17368	0.9
233.19006	3.5
235.16969	1.8
243.21193	0.4
259.20605	0.5
261.22171	1.1
271.24109	0.4
273.22324	0.4
283.24411	0.5
287.23712	3.4
405.35184	0.6
423.36313	2.2
441.37305	100.0
442.37695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01852	2.0
55.05296	1.0
55.05515	10.2
57.07071	2.5
57.83455	0.8
60.04518	0.9
67.05171	1.3
67.05509	18.3
69.03440	1.4
69.07071	8.7
69.36267	1.0
69.76788	5.0
75.91589	0.9
75.98302	0.9
77.03914	1.0
79.05491	10.1
81.07058	25.3
83.04992	4.1
83.08618	10.6
85.06554	2.2
85.66771	0.8
90.16068	0.8
91.05474	11.2
93.07045	25.2
94.78947	0.9
95.04982	2.3
95.08608	42.8
97.06528	6.7
97.10157	4.4
98.97594	2.6
100.19682	0.9
105.07034	41.3
107.08598	34.3
109.06530	2.7
109.10159	32.9
111.08087	8.1
111.11714	1.0
117.07031	3.5
119.08585	50.1
121.06512	9.2
121.10144	31.3
123.08071	47.7
123.11733	8.5
125.09636	2.5
129.06976	2.0
130.86484	0.9
131.08565	13.8
133.06569	0.9
133.10136	47.7
135.08073	6.5
135.11700	18.2
137.09624	29.3
137.13242	3.2
137.21094	0.8
143.08556	5.4
144.09261	1.0
145.10133	22.4
147.08054	3.0
147.11690	40.3
149.09631	5.9
149.13293	10.6
151.11179	2.5
151.14984	1.4
153.09081	4.4
155.08525	1.0
156.09331	1.6
157.10124	7.9
158.10945	2.6
159.08144	1.1
159.11705	21.2
161.09642	5.4
161.13269	19.8
163.11174	6.5
163.14838	10.4
165.12743	2.9
165.16425	1.0
167.10764	1.3
169.10129	1.4
170.10913	1.8
171.11694	8.2
173.13268	34.3
175.11223	3.3
175.14850	17.9
177.12788	2.1
177.16368	4.6
179.14336	0.9
183.11748	3.4
185.13321	8.6
187.11276	1.7
187.13164	1.1
187.14827	21.4
189.12732	4.7
189.16397	19.7
191.14301	18.4
191.17886	1.2
193.15929	2.8
197.13322	2.5
199.14804	11.9
201.16385	12.1
201.18007	1.1
203.14348	3.6
203.17946	7.4
205.15866	8.8
205.70438	0.8
206.68094	0.8
207.17513	1.9
211.14781	3.2
213.16377	6.3
215.14359	1.1
215.17944	2.5
217.15927	6.0
217.19531	2.8
219.17426	6.2
221.15361	1.1
225.16473	1.1
227.18004	1.9
229.15912	2.2
229.19592	2.2
231.17444	6.5
231.20995	5.0
235.17079	1.5
239.17957	1.4
241.19528	2.1
245.18962	2.3
247.20749	1.1
247.82779	0.8
249.18506	26.8
253.19521	0.9
257.19174	0.9
259.17041	1.5
259.20676	1.5
263.20078	8.9
271.20837	0.9
271.24173	1.5
275.20132	1.0
277.18130	3.5
277.21683	13.8
289.25137	1.0
291.82101	0.9
293.21274	2.9
299.23575	1.2
305.21716	1.2
305.24918	2.8
315.23117	1.7
317.24664	2.5
319.26254	4.1
329.24796	1.6
341.25006	1.6
343.26224	1.3
355.14389	1.1
359.27338	0.9
369.27774	1.5
377.32053	2.5
383.33215	2.0
387.30481	2.1
393.31555	2.7
395.29239	3.1
395.33820	4.1
405.31540	11.2
411.32584	3.1
413.34164	1.4
420.16870	0.9
423.32596	99.2
424.32971	1.8
441.33658	100.0
442.33881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03939	2.8
55.01864	1.7
55.05508	13.3
57.07072	7.0
59.04995	6.1
63.52261	1.3
65.03955	1.7
66.43012	1.3
67.05512	24.3
67.07414	1.3
69.03429	2.2
69.07075	15.3
69.42228	1.4
69.55952	8.9
70.06586	2.0
70.51445	1.3
71.05000	2.2
71.08620	1.8
79.05500	17.0
81.07056	38.0
83.04555	1.4
83.04976	7.4
83.08626	8.9
85.06548	3.2
91.05476	24.7
93.07047	38.6
95.04977	3.3
95.08611	66.0
97.06532	11.2
97.10180	5.1
98.21462	3.2
98.97624	1.6
99.08094	1.8
105.06465	1.1
105.07035	57.2
107.08596	58.1
107.15732	1.6
109.06521	4.5
109.10163	29.6
111.08090	17.5
115.05464	2.5
116.07160	1.4
117.07005	10.4
119.08584	79.5
121.06500	19.9
121.10152	36.3
123.08076	66.3
123.11674	7.4
125.09674	4.0
129.07016	5.2
131.08566	29.2
133.06541	1.7
133.10133	57.7
135.08070	8.3
135.11699	23.2
137.09618	23.3
137.13242	1.5
142.07773	4.9
143.08554	13.6
145.06494	2.9
145.10120	61.5
147.08035	9.9
147.11690	42.8
149.09631	11.5
149.13268	25.4
151.11218	4.6
154.08746	1.5
155.08574	3.1
156.09375	3.9
157.10117	16.1
158.10950	4.5
159.08083	2.0
159.11699	44.3
159.13008	2.2
161.09633	25.1
161.10918	1.8
161.13258	20.7
163.11223	10.2
163.14825	20.2
165.09167	3.4
165.12749	2.4
169.10178	4.4
170.10934	1.7
171.11705	16.3
172.12527	3.0
173.13275	44.9
173.14685	2.7
175.11172	7.2
175.14827	34.4
177.12813	6.9
177.16377	8.8
183.11732	5.9
184.12497	2.5
185.13254	15.6
187.11252	3.5
187.14832	45.3
187.16438	2.8
189.12724	24.9
189.16368	25.1
191.10748	1.8
191.14313	42.6
191.17960	3.1
193.15948	5.7
197.13243	7.1
199.14818	19.7
200.02524	1.8
201.12746	2.3
201.16399	23.0
203.14357	10.3
203.16385	1.9
203.17984	11.3
205.15872	13.0
211.14766	4.1
213.16362	15.2
215.14317	7.2
215.18062	6.5
217.15924	13.3
217.19592	2.3
219.17551	9.9
225.16324	1.7
227.14389	2.5
227.18057	4.7
229.15935	4.6
229.19495	2.0
231.17410	10.6
231.21072	3.3
233.19017	2.3
235.17003	1.7
239.18062	2.3
241.19565	2.3
243.17372	1.7
245.18964	2.7
249.18471	11.8
257.18979	2.1
259.20648	1.5
263.20120	4.0
277.21716	3.3
297.22299	1.8
299.23740	3.6
319.26495	2.3
323.23907	2.0
325.25262	2.2
360.72961	1.4
367.22604	2.1
375.30649	3.0
387.30569	3.0
393.31528	30.3
395.33307	1.8
405.31540	25.7
411.32605	31.5
423.32608	100.0
424.32928	3.7
441.21317	2.4
441.27411	3.6
441.33749	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
56.96569	52.3
63.33487	1.0
67.05505	2.6
69.07105	1.0
69.97974	3.4
69.98379	2.3
70.98125	11.2
71.95264	3.0
72.96068	1.5
74.46124	1.0
81.07070	2.8
84.96027	1.3
87.61090	1.0
93.07046	1.4
93.20095	1.2
97.96838	1.8
98.97594	18.1
105.00200	1.8
105.07060	1.4
107.08572	1.3
110.97562	3.0
116.98618	7.2
123.01208	1.0
127.00685	3.1
128.98640	1.7
129.02287	1.9
133.10114	1.5
134.99727	1.4
137.02634	1.4
139.00768	1.4
141.02267	4.0
147.03352	1.1
151.00725	1.5
153.02203	2.7
155.03786	5.0
157.10280	1.2
159.03307	2.6
165.02159	1.3
167.00125	1.2
167.03789	1.1
169.01782	2.0
169.05376	5.1
171.03343	2.2
173.04878	5.3
173.69705	1.1
177.02249	1.5
177.05872	1.9
181.05330	2.3
183.03395	1.5
183.06990	2.8
185.04863	2.6
187.06445	4.4
193.05380	2.3
195.06906	10.5
197.04689	1.4
199.06355	3.0
201.08017	2.0
207.07030	2.3
211.06419	10.0
212.11711	1.1
213.07988	6.1
219.07013	2.4
221.08499	2.3
223.06459	1.8
225.07910	5.7
229.07498	7.6
231.06929	1.9
231.09050	2.4
233.08614	2.5
235.10071	1.5
237.08017	4.8
239.09607	4.4
243.09056	31.8
247.08568	2.2
249.08038	3.4
251.09560	26.5
251.12175	1.6
253.11214	2.3
255.09105	4.4
257.10614	15.1
261.07803	1.7
261.10223	13.9
265.11139	40.2
269.10608	38.4
271.11963	1.4
275.11603	7.3
283.12192	61.1
284.12186	3.4
287.11603	2.0
291.12686	1.6
292.12097	4.2
293.10757	1.9
293.14105	1.5
297.13760	1.7
301.13324	1.3
305.14392	4.1
306.13812	7.7
311.11758	3.9
312.12473	3.1
313.14804	1.3
326.10550	1.4
331.15692	10.3
337.16882	8.9
347.15213	1.2
349.16830	22.1
363.18442	51.4
364.18991	1.3
367.17807	3.2
372.18161	1.9
381.19464	10.1
441.21606	100.0
441.26373	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01867	0.7
55.05497	1.7
57.03426	1.0
61.02909	0.8
67.05488	1.0
68.99797	0.4
69.03433	5.5
69.07066	4.3
70.06593	0.6
70.07400	0.4
70.91066	0.5
70.91414	1.0
73.02895	0.8
79.05482	0.9
81.03415	3.3
81.07038	1.7
83.04969	0.5
83.08620	1.3
84.08151	0.7
85.02905	11.6
87.00835	5.2
89.18700	0.4
91.05477	2.8
93.07043	1.5
95.04952	0.8
95.08611	3.3
97.02893	3.7
98.97580	0.5
99.04453	1.7
105.01873	6.8
105.06385	0.6
105.07034	7.7
107.08598	2.2
109.02878	3.4
109.06487	0.6
109.10139	1.7
119.08581	25.6
121.10157	2.9
127.03921	6.2
129.01836	0.7
131.08568	1.4
133.10132	22.2
135.11674	1.1
137.09631	0.7
144.78528	0.5
145.05011	2.2
145.10144	2.4
147.11691	4.6
149.13258	0.8
159.02870	1.1
160.12498	1.2
161.09637	0.5
161.13118	0.7
173.13260	2.0
175.14822	100.0
176.15176	0.5
177.16385	1.3
185.13213	0.5
187.14780	0.9
189.04002	0.7
189.16397	0.4
191.14365	0.4
193.15858	4.6
205.15935	1.0
217.15961	0.7
231.05019	1.9
241.15742	0.5
283.16974	0.8
289.05292	1.0
301.18158	0.9
319.19162	0.5
320.15378	0.4
387.17792	1.0
405.19040	1.6
423.20117	1.7
441.16760	3.0
457.31329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
54.17038	0.3
55.05510	0.5
56.96572	0.7
64.12450	0.4
67.05495	0.7
69.07047	0.6
70.06584	0.5
70.08808	0.4
71.04982	0.6
71.57375	0.5
72.08128	0.4
79.05501	0.8
81.07052	1.7
85.02890	0.5
86.09735	0.4
91.05470	0.9
93.07046	1.4
95.04983	0.5
95.08617	0.5
97.06512	1.1
98.97568	0.4
99.89646	0.4
102.27238	0.4
105.07021	0.9
107.08575	1.3
116.07135	0.4
119.08613	1.3
120.08097	0.6
121.32195	0.4
128.10690	0.6
133.10156	0.8
135.08067	0.6
135.11710	0.8
141.53279	0.5
145.10126	0.6
147.04463	0.7
147.08031	0.7
147.11696	0.5
161.09695	0.6
163.03909	0.4
175.11009	0.4
185.04260	0.5
193.12000	2.1
203.05383	1.0
203.14232	0.5
207.13776	0.8
221.11588	0.6
222.24496	0.4
227.05252	0.6
235.13048	0.7
245.06268	3.0
253.12813	0.6
263.19724	0.5
271.04517	0.5
289.05228	2.5
325.06543	0.5
337.16080	0.5
346.25665	1.0
349.43216	0.4
355.17282	8.5
373.17001	0.5
379.17395	1.0
397.18375	25.6
398.18652	0.4
423.19849	0.6
441.17349	100.0
441.24088	5.7
441.57550	0.4
442.17554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85516	0.4
55.05481	0.4
66.93784	0.3
67.05493	0.5
69.03420	0.9
70.06573	1.1
71.57186	0.4
72.08141	0.6
74.69029	0.3
79.05477	0.5
81.03419	0.6
81.07063	0.7
83.04987	0.4
84.08141	0.9
85.02888	0.5
86.09715	0.7
91.05466	0.8
92.79945	0.3
93.07048	2.3
94.11184	0.3
95.08646	0.3
97.02911	0.3
97.06534	0.6
101.00881	1.0
104.59455	0.3
105.07019	1.2
107.08589	1.5
109.02899	0.5
109.10149	0.6
119.01926	0.9
119.08607	0.5
120.08124	0.5
121.10135	0.4
126.09138	0.4
126.84779	0.3
127.03913	0.8
130.73026	0.3
132.06551	0.4
133.10126	0.5
135.50867	0.4
143.01910	2.0
147.04434	0.9
157.03484	1.5
161.03026	1.7
175.04483	1.5
185.02898	0.6
193.11996	1.6
200.21008	0.4
203.04010	1.3
227.05203	0.7
235.11821	0.9
243.04742	0.8
245.06448	0.6
248.68732	0.3
253.12897	1.1
265.12827	0.6
271.04233	0.7
271.72318	0.4
277.12857	0.6
287.03735	1.2
289.05289	2.7
292.01929	0.3
295.13919	1.0
337.16199	0.6
351.24243	0.4
355.17255	4.2
379.17419	2.3
385.23602	0.3
390.19562	0.4
397.18347	29.5
409.27008	0.7
423.16214	7.8
423.24774	0.5
441.17337	100.0
442.17746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05504	1.0
56.96556	1.5
67.05503	1.8
69.03426	1.0
69.07056	1.4
69.29742	2.7
69.30166	1.1
70.06603	2.7
71.04974	0.8
72.08145	1.1
77.43282	0.4
79.05487	1.7
81.03416	1.0
81.07043	1.7
84.04496	0.5
84.08141	1.9
84.63511	0.4
85.02913	1.6
86.09702	3.4
87.00828	0.4
91.05471	1.7
93.07040	2.5
95.04950	0.9
95.08609	1.0
97.02872	1.0
97.06528	1.6
98.06062	0.4
98.97576	1.0
101.00940	0.6
105.07017	1.5
107.08604	1.5
109.10164	0.8
111.04454	0.7
116.07117	0.8
119.01900	1.3
119.04897	0.6
119.08580	1.0
120.08128	1.2
126.09169	0.7
127.03921	0.7
131.00041	0.4
133.10078	0.9
137.86263	0.4
142.89368	0.5
143.00154	0.6
143.01924	1.4
145.10173	0.6
147.04393	1.5
147.08070	0.5
156.04065	0.5
157.03418	1.2
158.99660	0.8
161.02992	1.0
167.03218	0.7
175.04533	1.1
178.91100	0.4
185.02863	0.8
193.12045	1.8
203.03979	0.7
205.31340	0.5
215.04216	0.5
219.01833	0.4
227.05339	1.0
235.11797	0.9
253.12866	1.3
259.09900	0.6
271.04364	0.9
287.03662	0.7
289.05243	1.4
295.13989	0.7
304.29956	0.4
337.16312	0.7
346.25589	0.5
355.13586	0.6
355.17252	4.4
379.17343	2.4
397.18307	23.3
398.18649	0.5
405.23889	0.9
423.16168	7.8
423.25006	1.0
441.17300	100.0
442.17642	2.0
459.86566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	1.1
70.19713	2.0
70.20046	0.5
72.08150	0.6
76.99744	0.4
80.19534	0.5
81.07024	0.7
84.08106	0.4
86.09689	1.6
91.05479	0.9
93.07031	2.2
101.00880	1.5
105.07006	0.7
107.08572	2.0
119.01891	1.0
121.03085	0.5
121.35227	0.5
125.23637	0.4
143.01898	2.0
147.04446	0.7
157.03442	1.5
161.02975	1.8
173.02945	0.6
175.04518	1.1
193.12019	1.7
203.03972	1.0
204.36227	0.4
227.05359	0.8
235.11737	1.1
243.04799	0.6
245.06213	0.6
253.12839	1.4
265.12671	0.5
271.04276	0.5
277.12906	0.7
287.03745	1.5
289.05444	1.9
295.13950	1.2
355.17377	4.6
379.17258	2.0
397.18353	26.7
398.18799	0.5
423.16278	7.7
441.17340	100.0
442.17560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05024	3.4
56.96566	12.9
62.29446	0.7
70.06587	4.5
70.14719	3.0
72.08141	3.2
74.06079	1.8
81.03370	1.1
81.07078	1.0
84.04502	2.8
84.08150	13.7
84.96042	6.8
85.02894	1.8
86.06042	1.5
86.09695	5.0
87.71453	1.0
91.05478	4.3
97.96793	4.7
98.97588	43.5
101.07140	2.9
102.05588	0.8
110.07219	1.1
110.97572	13.9
112.99149	1.5
115.97849	1.6
116.98624	14.2
120.08086	3.4
124.99124	1.3
128.98610	12.2
129.10251	7.4
131.00150	1.3
134.99625	2.7
136.07581	1.4
140.00171	1.2
140.98618	2.9
143.00197	5.6
144.98093	2.2
146.99657	4.8
149.01221	1.2
152.98587	3.5
155.00241	1.9
158.99680	8.7
161.01247	3.6
162.99127	1.6
165.02251	1.5
165.06973	1.6
170.99661	6.1
173.01237	2.1
177.00725	8.7
183.03252	1.6
189.00745	2.8
189.02278	1.7
195.01544	0.8
200.13577	0.9
201.00674	3.9
203.33287	0.7
207.03308	13.6
207.05054	1.4
212.10448	1.1
213.12538	0.8
219.01765	19.7
225.04356	5.9
237.02820	27.6
237.05145	1.4
242.03430	1.3
242.10043	1.1
248.16054	0.8
249.04430	2.3
255.03917	1.3
276.10052	0.8
302.12354	1.3
309.06433	21.7
318.14056	0.9
327.07516	61.7
328.07666	1.6
350.09058	3.3
409.74814	0.8
423.14105	3.5
423.25177	1.1
441.11414	100.0
441.24420	6.1
442.11691	2.4
459.11838	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	441.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	11.9
61.84647	1.0
65.16143	0.9
66.24725	0.9
70.11113	3.6
70.11539	1.7
71.95225	1.0
84.96001	7.6
85.02904	1.7
91.05464	2.0
97.02882	1.2
98.97585	100.0
110.97565	39.8
112.19452	1.0
112.99096	1.4
116.98628	20.4
119.04987	2.4
124.99098	4.5
127.00709	1.3
128.98602	22.8
131.00183	1.8
134.99675	4.2
135.03241	1.1
135.35214	1.1
136.07634	1.3
137.05994	1.3
140.00232	1.2
140.68880	1.0
140.98595	11.9
143.00172	15.8
146.99707	5.3
147.04379	5.8
149.01280	1.5
152.98643	6.8
158.99652	39.9
161.01245	7.6
170.99648	27.2
173.01166	2.0
177.00725	22.1
182.99660	26.9
189.00720	19.7
191.02310	1.2
194.99516	1.1
201.00710	57.7
206.99661	0.9
207.01779	2.9
213.00670	4.0
219.01765	40.3
231.01646	4.9
237.02844	14.4
243.01799	23.3
261.02826	89.0
273.02740	7.8
279.03882	49.0
280.59146	1.1
291.03845	15.4
297.04749	2.2
302.05460	1.8
303.03796	1.5
303.77155	1.0
309.04968	2.1
311.06378	1.1
321.04956	40.1
333.04877	6.7
351.06058	6.8
381.06879	6.3
399.08167	5.3
433.88913	1.0
441.09100	33.5
460.33340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05465	0.8
56.96566	13.6
69.03416	2.1
71.55833	0.9
73.02897	1.1
84.96023	8.6
85.02921	6.5
87.04589	1.0
97.02872	2.8
98.97585	100.0
101.00886	1.2
110.23879	1.0
110.97569	38.0
110.98333	2.0
112.99151	2.0
116.97822	1.5
116.98624	24.6
119.01845	1.1
124.99104	4.0
127.00675	1.1
127.03924	2.7
128.01402	1.0
128.98611	23.0
130.45705	0.9
131.00148	2.4
131.01941	1.0
133.03464	1.4
134.99657	3.0
135.03201	3.1
138.05501	1.2
140.98579	10.7
143.00165	14.9
143.01860	1.6
145.03488	1.0
145.04933	1.1
146.99629	5.6
149.01195	1.4
152.98596	7.2
155.00191	1.1
156.98094	0.9
158.99660	40.5
161.01213	7.1
161.02856	1.3
163.03949	1.2
170.99648	32.8
173.01285	1.2
173.02892	1.5
176.99174	1.5
177.00713	24.9
177.04187	1.1
182.99666	25.0
185.01248	1.4
185.02922	1.4
189.00725	20.7
194.99710	1.8
201.00710	59.5
203.02231	1.0
203.05913	1.4
207.01764	3.9
213.00722	5.3
219.01776	40.8
221.04968	1.0
231.01726	4.3
233.03329	1.3
237.02847	13.3
242.03162	1.1
243.01779	25.9
245.05066	3.1
261.02820	96.6
270.06577	2.8
273.02872	11.0
279.03879	50.2
291.03851	19.3
297.05029	2.0
297.08167	1.9
302.05606	2.2
303.03699	1.6
309.05042	1.8
321.04926	46.9
333.04831	6.2
351.05933	7.6
360.09979	1.0
381.07053	4.8
399.08038	5.0
441.09094	32.8
441.14059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
54.30607	5.7
55.05500	27.2
58.25426	6.4
60.92199	6.3
67.05518	42.2
69.07067	27.4
71.17340	12.0
71.17674	6.9
71.69367	6.1
72.04513	15.3
75.78522	6.7
79.05506	39.1
81.07073	38.1
83.08606	24.5
89.06033	11.7
90.22321	6.2
91.05486	40.1
93.07050	65.0
95.04956	19.1
95.08605	29.9
97.06507	8.5
97.10165	10.7
105.07041	29.9
107.04956	11.1
107.08609	28.9
109.10162	19.7
117.07008	11.7
119.08602	36.6
121.10162	43.1
123.08094	7.2
131.08606	12.3
133.08521	8.4
133.10141	28.0
135.08057	10.8
135.11690	26.0
145.10112	24.2
147.11691	20.5
149.09612	14.9
149.13277	13.3
159.11661	14.8
161.13319	9.4
163.11176	26.2
163.14803	6.7
171.11748	9.2
188.47069	6.4
207.13795	11.5
217.14317	7.4
237.14970	9.8
239.18161	7.7
257.19006	13.2
267.34253	7.7
275.20044	100.0
289.21518	8.4
291.23212	17.3
307.22672	48.2
349.19846	9.7
397.59177	8.8
458.49362	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	440.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56322	1.4
53.03944	1.4
55.05514	6.3
56.05021	1.3
56.96557	2.1
57.07069	3.4
59.04985	2.0
65.03922	1.5
65.98110	1.0
67.05497	9.1
68.05030	13.3
69.03418	4.0
69.07072	5.7
70.06593	43.3
71.04975	2.9
71.57392	2.1
79.05495	10.3
80.05014	4.4
81.03403	1.1
81.07060	11.5
82.06568	2.9
83.04967	4.1
83.08613	2.6
84.08140	7.7
85.02944	1.3
85.06536	2.9
86.09708	2.5
87.04466	2.1
91.05480	11.8
93.07048	15.1
95.04964	3.9
95.08615	7.9
96.08126	10.8
97.06536	5.9
98.06030	3.8
100.07614	14.9
101.09812	1.1
105.07036	28.8
106.06535	1.2
106.27930	1.2
107.05006	1.1
107.08595	10.6
108.08116	12.7
109.06525	6.7
109.10156	7.0
110.09687	1.7
110.10427	1.2
111.08080	1.5
113.09626	2.0
114.05544	5.9
114.73476	1.1
115.05502	1.7
116.07092	4.8
116.10920	1.2
117.07016	8.2
118.06591	1.5
119.08578	22.8
120.08092	6.1
121.06529	3.2
121.10154	9.7
122.09680	3.5
123.08057	4.3
125.09664	2.1
126.09160	2.9
128.06227	2.2
128.07072	20.5
129.07016	7.4
130.07771	1.8
131.08543	10.3
131.59550	1.4
132.08098	1.6
133.10159	8.5
134.09650	4.7
135.08037	3.4
135.11685	3.9
136.11264	2.0
137.09612	3.7
141.06978	2.4
142.07768	5.4
142.08711	2.5
143.08548	13.9
144.09320	1.8
145.10117	17.1
146.09616	2.4
147.08051	4.0
147.11661	8.9
148.11182	5.9
149.09676	1.7
151.07559	2.2
152.10661	1.5
153.07016	1.6
154.08641	51.5
155.08592	5.1
155.10677	2.6
156.09358	5.4
157.10114	15.9
159.08096	1.4
159.11699	7.2
160.11218	4.1
161.09637	2.6
161.13242	2.1
162.12822	3.2
163.11182	3.1
164.07111	3.4
165.09129	10.8
167.08546	2.5
168.10281	1.4
169.10123	5.6
170.10970	2.2
171.11664	10.9
172.11230	5.2
173.09697	1.7
173.11955	1.8
173.13264	5.0
174.12810	3.9
175.11214	3.1
178.08691	3.3
179.08510	2.4
179.10654	1.2
181.10143	4.8
181.12207	1.9
182.10754	1.6
183.11720	6.7
184.11162	1.5
185.13315	1.5
186.12805	3.9
187.11200	1.4
188.14371	4.8
192.10245	4.2
193.10130	3.4
194.11801	15.5
195.11720	3.9
196.12524	1.5
197.13202	8.0
203.14288	5.8
206.11728	1.7
207.11731	2.0
208.12471	2.8
209.13225	3.8
211.14812	3.3
215.14372	1.8
218.11870	3.2
219.12477	3.0
220.13266	3.5
221.13377	1.8
221.15341	27.1
221.17307	2.0
223.14854	2.4
225.12669	1.6
225.16414	2.1
232.13374	9.6
235.14868	3.2
243.13744	1.6
258.14990	2.0
259.15622	1.3
260.16501	3.5
272.16425	1.4
281.18832	1.5
284.16702	1.5
285.09955	1.4
291.21149	2.2
299.20068	17.1
309.22247	3.0
325.21625	3.2
327.23322	5.3
348.21756	2.3
349.86768	1.3
360.21594	5.5
378.27881	2.3
382.23755	1.6
396.24841	1.0
396.29028	27.8
422.26706	3.1
428.06882	1.4
440.27988	100.0
441.28235	1.7
461.67581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99571	3.2
63.09269	0.9
68.69787	1.0
69.78117	1.6
69.78521	3.4
70.06597	1.6
76.02229	8.2
84.04516	1.2
86.99059	1.5
94.06596	1.0
100.02202	5.6
105.00083	1.3
116.93109	0.9
136.07634	1.0
137.06097	1.0
138.05484	0.8
146.02734	7.9
152.01656	1.3
158.09700	1.1
172.07620	1.7
175.08685	4.0
178.03229	1.4
186.09140	3.3
188.03795	1.8
189.10104	1.3
196.07594	3.5
198.09137	4.5
199.08630	1.5
199.13213	1.2
200.07083	1.2
200.10820	1.2
210.09053	1.3
212.09335	1.2
213.10207	8.4
214.08676	2.4
214.11176	1.0
215.08276	1.4
215.11816	4.1
217.09700	3.4
219.09178	1.1
224.24257	1.2
226.07074	1.1
227.11754	2.0
231.11166	1.6
235.10869	6.5
240.08984	3.8
241.09744	31.9
242.04692	1.9
242.08188	3.8
243.11349	14.9
254.06404	2.0
254.10504	2.3
255.11230	5.2
257.12943	1.3
258.12473	9.9
259.10806	24.7
263.07260	1.3
271.09061	1.8
271.13107	1.7
273.07101	1.3
273.12271	2.1
277.11862	1.5
278.13919	1.0
283.10764	6.0
284.09171	2.4
285.12375	12.2
286.09497	1.7
299.08514	3.1
300.10886	1.7
301.11865	28.6
302.10086	2.0
303.13315	2.8
317.13712	19.5
318.12604	4.2
319.13129	4.9
320.11069	1.4
360.13675	2.2
362.11725	7.7
363.10208	5.5
378.14948	1.2
404.12775	14.5
405.11118	4.8
422.13855	100.0
423.12143	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.40213	0.7
54.50847	0.6
55.05515	3.6
57.07073	1.9
67.05513	6.9
69.03430	0.9
69.07076	7.4
71.57282	0.9
79.05499	2.0
81.07066	9.9
83.04963	1.0
83.08622	2.4
86.09709	0.9
86.12682	0.6
89.06025	2.7
91.05489	2.3
93.07056	4.8
95.04971	1.1
95.08615	50.1
97.06509	1.3
97.10171	1.3
105.07030	4.9
107.08601	8.3
109.06544	1.8
109.10162	11.5
111.08090	0.9
111.11714	1.4
111.19978	0.7
119.08585	7.9
121.06526	1.7
121.10151	9.1
123.08089	2.9
123.11720	4.4
125.63116	0.8
131.08582	1.4
133.08621	1.0
133.10141	6.4
135.08063	2.4
135.11713	4.9
137.09592	1.2
137.13246	3.4
137.57210	0.7
143.08568	1.0
145.10118	4.6
147.11699	3.1
149.09633	5.6
149.13266	3.0
151.11192	1.5
157.10103	2.3
159.08133	1.2
159.11714	3.1
161.09586	0.7
161.13306	1.8
163.11168	2.1
163.14888	0.9
165.12793	0.9
171.11687	1.8
173.09673	1.3
173.13283	3.3
175.11183	2.2
175.14853	3.3
177.12753	1.7
177.16414	1.0
183.11769	1.0
187.11208	1.3
187.14862	2.4
189.12709	1.9
189.16411	4.6
191.17995	2.1
197.13185	1.0
201.12787	0.8
203.14241	0.9
203.18120	1.0
205.19598	1.0
207.17470	0.8
211.14944	1.1
213.16457	1.0
215.14357	2.2
215.17960	1.4
217.15939	2.5
223.14757	1.0
233.15399	1.3
233.19038	1.6
239.14915	3.0
240.15346	1.1
269.22720	0.7
283.20526	2.0
287.23700	1.1
301.21793	1.6
313.25363	1.5
327.26791	5.8
357.27640	1.3
367.30087	0.8
379.33783	1.0
381.31604	1.8
393.31403	1.7
403.33533	1.5
421.34668	31.5
439.35757	100.0
440.36234	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.05500	7.0
57.07055	4.1
59.05008	2.5
66.02084	2.3
67.05501	9.5
69.03429	15.9
69.07071	16.0
69.46822	10.6
69.47220	6.4
70.06595	5.2
79.05488	10.3
81.03407	9.5
81.07068	6.8
83.04989	34.2
85.02919	13.1
85.06529	5.1
86.09703	3.4
91.05500	18.7
91.57021	2.3
93.07047	23.0
95.04955	7.0
95.08609	7.2
97.02879	7.6
98.20782	4.8
98.97560	4.0
99.04481	2.8
105.07045	14.2
107.08598	50.1
109.02876	10.0
109.06538	5.0
109.10194	2.7
110.07201	2.9
110.09658	2.5
111.04454	4.2
111.11716	5.0
113.06017	4.3
117.06998	6.9
119.08574	11.6
121.06509	40.2
121.10123	7.3
123.08030	3.0
127.03895	13.2
127.07552	5.0
131.08551	10.8
133.10132	9.2
135.08064	100.0
136.06161	7.6
137.05962	3.6
137.09616	3.2
143.08571	3.7
144.09369	5.3
145.04994	2.3
145.06496	8.0
145.10135	3.5
147.08009	5.3
149.09628	11.2
153.09076	3.4
157.10123	3.7
158.10899	6.8
159.08061	7.9
159.11748	14.7
161.09610	9.1
163.07571	45.9
172.08911	3.5
173.09641	7.0
173.13272	26.6
173.15436	6.8
177.09113	3.5
177.79520	2.3
183.11702	8.5
185.13333	3.6
186.10394	9.0
187.11197	43.2
189.09117	3.2
191.07031	14.6
191.14461	2.9
201.12758	41.4
203.14319	6.0
205.12268	37.9
211.11156	2.9
219.13815	47.5
229.12242	46.1
231.04881	2.6
247.13310	93.9
268.10858	4.2
430.23651	2.8
439.15759	4.4
439.23361	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	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57682	0.3
56.96580	0.3
60.04516	0.4
61.02924	0.4
63.05954	0.3
64.98278	0.3
66.96487	0.3
69.03418	0.5
70.06596	2.4
72.08156	2.2
79.05495	0.5
81.03400	0.3
83.01102	0.9
84.04515	0.4
84.08131	1.4
85.02891	1.1
86.09707	2.2
91.05479	0.5
95.01067	2.0
96.01892	0.6
97.02811	0.4
98.97566	0.5
103.05465	0.3
110.07171	1.2
110.62297	0.3
112.01368	0.6
113.02115	2.6
116.98611	0.4
120.08130	1.2
124.97589	0.3
129.10262	0.8
131.04915	0.6
136.07581	0.9
147.04424	0.4
150.52689	0.3
157.04745	0.9
162.09093	0.4
162.88335	0.3
163.07562	0.6
163.89944	0.3
167.03181	0.4
167.07056	0.6
171.07506	0.4
172.29871	0.3
185.04213	3.5
201.03732	1.2
202.06000	3.9
203.05179	0.5
203.06989	0.4
205.11740	0.4
206.04323	0.6
207.11357	1.2
223.15492	0.3
235.10757	0.4
243.08557	0.6
250.06880	1.0
259.07776	0.7
265.09323	0.5
268.07977	0.4
269.00949	0.4
277.10526	0.6
288.35840	0.3
317.14020	0.4
325.07382	0.4
332.07367	0.4
336.76608	0.4
347.09805	0.6
420.63733	0.4
422.13602	0.7
439.15762	100.0
440.16238	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.6
57.07070	5.3
58.58825	2.5
60.31910	2.3
67.05508	28.6
69.07065	15.8
70.81750	3.1
70.82103	5.5
79.05496	56.0
81.07067	36.1
83.08630	9.9
85.06576	2.4
85.10205	3.2
89.06035	24.6
91.05499	22.5
93.07050	90.0
95.05016	2.5
95.08616	25.0
97.06537	2.6
97.10186	6.6
105.04510	2.6
105.07062	18.0
107.08600	50.8
109.06518	3.6
109.10159	14.6
113.05998	5.4
117.06998	3.6
119.08577	12.7
121.10150	47.6
123.08044	3.1
123.11682	3.4
131.08571	5.9
133.08623	9.6
133.10109	13.6
135.11697	52.0
137.09644	2.9
145.10110	3.6
147.11714	13.0
149.13263	33.3
157.10237	3.6
159.11679	5.5
161.13264	7.9
163.11134	3.9
163.14832	7.7
173.13318	3.7
175.14842	6.1
177.11247	3.4
213.16380	2.9
231.17599	2.7
239.14908	28.7
241.19641	7.5
259.20566	13.3
291.23206	100.0
305.57657	2.3
373.43536	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	438.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01869	4.0
55.05512	19.3
56.08632	1.1
56.96555	3.8
57.03435	2.5
57.07072	1.8
59.05012	2.0
61.02903	1.1
67.05499	17.2
68.05035	9.7
69.03420	5.1
69.05826	1.8
69.07074	7.5
69.24536	2.4
69.24937	11.6
70.06598	30.8
71.04988	3.1
73.02903	1.3
73.06559	1.4
79.05495	17.2
81.03421	28.6
81.07061	29.3
82.06590	2.0
83.04985	7.9
83.07349	2.5
83.08624	17.0
84.08161	2.3
85.02899	1.9
85.06536	2.4
88.07630	1.8
91.05476	10.7
93.07045	11.1
95.04974	13.4
95.08601	9.5
96.08140	9.4
97.02888	3.0
97.06527	2.4
97.10172	16.8
98.97624	2.5
99.04443	1.5
100.07626	10.5
102.09154	1.9
105.07088	6.7
107.04970	3.4
107.08596	12.8
109.06536	2.6
109.10155	6.0
110.06037	4.6
111.04443	2.0
111.08086	6.2
112.07612	3.2
114.05528	9.6
114.09163	4.8
116.07098	14.2
117.06995	2.2
119.08604	7.9
121.06480	3.7
121.10133	5.2
123.08054	7.5
125.09634	12.1
128.07083	10.7
129.07018	3.4
131.08548	5.6
133.10121	4.5
135.08049	5.2
135.11665	2.2
137.09645	1.7
140.07065	3.3
140.10715	100.0
142.08650	35.2
145.10117	4.8
147.08052	3.7
147.11682	5.4
149.02333	4.5
149.09605	3.3
150.03883	1.3
151.07558	3.2
153.12813	1.7
154.08624	2.8
154.60005	1.4
155.10692	2.9
156.06570	10.9
156.10196	1.8
157.10123	5.7
158.99641	2.3
163.11205	2.3
165.12796	2.1
175.11186	6.2
186.11266	62.2
187.13278	1.7
192.13831	4.5
193.04980	5.8
193.12250	56.6
196.13303	1.5
198.60765	1.3
201.11218	1.9
203.12794	6.7
210.14931	1.5
216.08972	1.5
223.13268	3.8
224.16449	6.2
225.14871	59.4
227.12663	2.1
228.23250	3.9
229.07449	1.4
237.07545	5.5
237.14816	3.4
238.12167	1.9
238.14435	15.8
238.17950	9.3
241.07521	1.3
252.15906	5.2
266.17529	6.0
273.18491	5.8
275.64325	2.5
284.18564	41.7
291.19540	5.6
305.21133	17.9
323.22229	3.3
324.11615	1.9
324.21799	3.0
326.19681	11.0
347.66315	1.8
356.16418	2.2
356.66971	12.6
357.16949	3.9
420.27808	2.1
437.69327	7.7
438.19427	3.5
438.29041	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.9
55.01868	12.2
55.05503	18.8
55.74228	4.9
56.96564	9.2
57.02034	5.2
57.03422	14.3
57.07061	6.6
57.65775	5.0
59.57491	4.7
61.02920	8.2
67.05499	36.0
68.99813	5.4
69.03434	40.9
69.07054	27.1
70.06580	22.2
71.04981	13.2
71.57206	7.4
72.08134	5.9
73.02908	15.5
78.71438	5.1
79.05482	17.8
81.03429	40.2
81.07056	90.1
83.04975	11.9
83.08611	13.9
85.02908	100.0
85.06535	32.9
86.09673	6.0
87.00824	40.3
87.04477	6.8
91.05468	17.7
93.07040	19.1
95.04964	12.4
95.08614	62.6
97.02900	50.4
97.06519	12.7
97.10175	5.3
98.97588	14.2
99.04449	14.4
105.01863	52.2
105.07031	35.2
107.08556	27.4
109.02871	30.7
109.06536	6.1
109.10152	18.2
115.03951	10.6
117.06979	6.7
119.08596	16.8
121.10117	11.4
123.08141	8.4
123.11681	7.5
127.03927	57.7
129.07037	6.4
131.08640	6.4
133.10133	21.0
137.05959	7.1
137.13268	83.4
142.07732	5.1
145.04938	21.4
145.10133	9.9
147.04422	9.2
149.13266	8.7
155.14323	20.0
158.99623	7.6
159.02925	11.6
159.11690	7.7
161.09642	14.0
163.11240	6.0
167.14322	7.7
174.80945	5.2
189.09082	7.7
205.12315	5.7
211.13312	9.7
227.14359	5.2
231.05040	14.6
245.15437	12.1
263.16443	10.5
281.13477	6.1
293.71600	5.6
315.10693	6.7
349.16254	9.7
367.17432	14.5
385.18454	6.0
438.20697	29.2
438.28918	12.3
441.68115	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01890	2.4
55.05512	1.0
57.03427	1.3
59.04997	1.7
61.02924	1.5
68.99798	0.8
69.03436	7.1
69.07072	4.5
69.50660	3.9
70.44691	0.5
71.05003	0.8
71.08635	48.4
73.02935	2.1
81.03417	6.4
81.07058	1.2
85.02910	18.7
87.00837	10.0
87.04445	0.5
93.07037	0.8
97.02897	9.5
98.20763	1.2
98.97595	1.1
99.04495	2.5
99.08097	100.0
100.08424	1.0
102.25366	0.5
105.01873	7.9
105.07112	0.5
109.02886	5.5
117.01852	1.6
127.03928	8.8
129.12767	12.1
135.09933	0.6
145.04974	4.2
152.51138	0.5
155.08481	0.7
155.14317	2.5
159.02892	4.0
162.30687	0.5
166.87622	0.5
173.15387	79.1
174.15799	0.6
213.03874	0.8
231.04988	1.7
306.13773	1.0
313.10843	0.5
373.89777	0.6
438.28363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01865	11.4
55.05505	18.7
56.96570	8.7
57.03437	22.8
57.07079	13.1
58.75868	6.5
61.02930	10.5
67.05521	32.6
69.03442	57.8
69.07069	18.2
69.36706	54.6
70.06592	24.6
71.04991	17.2
72.08147	8.3
73.02920	12.4
79.05493	25.0
81.03444	46.0
81.07061	99.5
83.04974	9.1
83.08619	21.1
84.08153	7.4
85.02908	98.8
85.03381	12.0
85.06550	36.8
86.09723	11.4
87.00843	56.5
87.04493	8.0
91.05487	17.8
93.07038	26.2
95.04993	13.5
95.08607	66.4
97.02917	65.4
97.06538	23.4
99.04450	19.0
99.08073	8.1
99.22169	5.5
105.01886	52.0
105.07043	20.6
107.08599	26.3
109.02901	32.1
109.06532	8.6
109.10161	17.2
111.08078	11.0
111.11706	12.6
119.08604	16.8
121.10182	12.0
121.67742	5.7
123.11705	6.6
127.03925	63.9
129.01843	7.0
133.10161	19.2
135.08115	6.5
137.13255	100.0
143.08621	7.8
145.04965	31.3
145.10124	12.6
147.04385	13.4
147.08080	9.6
147.11665	17.0
149.09581	7.5
149.13255	14.8
153.12753	7.7
155.14305	18.5
157.69243	6.4
159.02896	17.6
161.09596	14.5
161.13242	6.9
167.14325	12.9
175.03813	6.6
179.14383	11.2
189.03941	6.2
189.09158	10.5
193.12227	12.4
201.69489	6.1
211.13329	25.3
231.04951	14.4
245.15311	10.4
263.16660	12.8
349.16504	19.9
367.17426	15.7
438.21262	18.4
438.28845	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	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01868	4.5
55.05515	9.7
56.96564	3.5
57.03431	4.4
57.07065	2.4
59.05011	1.1
61.02921	2.1
65.74277	1.0
67.05173	1.6
67.05509	23.1
69.03429	8.0
69.07078	12.4
71.04990	3.0
79.05495	16.5
81.03423	12.8
81.07059	22.3
83.04993	7.1
83.08624	4.1
85.02908	26.1
85.06554	1.3
85.78159	0.8
87.44994	1.0
91.05479	17.2
93.07048	19.3
95.04975	7.1
95.08605	13.9
97.02911	8.6
97.06532	3.1
97.10172	4.0
98.97578	4.3
99.04446	3.2
105.07033	20.3
107.04966	7.9
107.08595	11.9
109.02896	6.9
109.06538	8.3
109.10143	7.6
111.08091	1.5
117.07027	6.9
119.08581	11.6
121.06494	9.1
121.10162	8.5
123.08064	5.4
123.11659	1.2
125.09645	1.9
127.03919	23.8
129.07016	4.0
131.00175	1.8
131.08589	13.4
133.06519	3.6
133.10136	14.7
135.08066	4.8
135.11691	6.5
137.09602	2.1
139.37607	1.0
143.08615	2.7
145.04941	1.7
145.06502	3.3
145.10127	11.3
147.08057	4.6
147.09079	1.0
147.11685	7.5
149.01208	1.4
149.09634	5.6
149.13220	2.3
151.11174	3.1
155.08582	2.3
157.10156	2.9
158.99730	2.4
159.08069	3.1
159.11673	6.1
161.09639	4.1
161.13206	1.7
163.11180	6.2
169.10107	2.3
171.11708	1.6
173.09601	2.3
173.11833	1.4
173.13268	4.5
175.11223	3.4
177.00829	1.3
177.09045	1.3
183.11774	2.7
185.13313	1.1
191.14316	3.6
197.13316	1.5
201.12709	1.5
207.13788	1.1
215.17981	1.7
219.13814	3.1
227.12857	1.7
228.11011	2.1
229.19513	2.2
237.61575	1.6
239.17915	2.4
247.17032	1.3
247.20599	2.7
257.18997	12.1
265.12689	1.4
265.62881	2.7
266.12833	1.2
275.20071	100.0
278.86188	1.1
293.21124	18.3
335.22223	2.2
341.21063	1.4
346.15283	1.8
346.65524	10.2
347.15781	3.7
355.15677	1.1
355.66022	5.7
356.16168	3.5
365.21158	1.0
383.22269	1.7
401.23294	2.6
419.24347	10.4
427.68137	3.8
428.18277	2.1
436.68719	5.7
437.18982	4.8
437.25305	20.5
437.31055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01872	14.6
55.05264	2.0
55.05513	26.0
56.96566	1.4
57.03429	5.1
61.02900	1.5
63.28179	1.2
65.03932	3.4
67.05508	43.7
69.03439	15.4
69.06734	1.2
69.07075	24.4
69.38633	6.4
69.39042	4.0
71.01357	1.3
71.04987	5.7
73.02908	2.0
74.33533	1.3
79.05064	2.9
79.05498	43.2
81.02975	2.6
81.03422	26.3
81.06583	2.3
81.07061	42.3
83.04982	6.5
83.08633	13.3
85.02908	20.6
85.06531	2.4
91.05482	40.5
93.07050	39.5
95.01333	3.1
95.04986	12.3
95.08614	28.5
97.02892	11.7
97.06547	19.1
97.10184	12.4
98.21619	2.3
99.04463	4.3
99.08048	1.3
103.05484	2.5
105.04543	1.7
105.07040	52.2
107.04971	21.0
107.08604	34.7
109.02892	14.9
109.06522	8.7
109.10155	16.4
111.08096	3.1
113.09664	1.3
115.05453	1.7
117.07017	19.1
119.08585	32.6
121.06500	4.9
121.10158	13.7
123.04387	2.4
123.08082	5.9
123.11732	4.0
125.09649	12.9
127.03925	27.3
128.06223	2.9
129.07016	8.9
130.07771	1.9
131.04872	1.8
131.08580	23.4
132.45236	1.2
133.06523	3.2
133.10136	29.2
135.08067	6.8
135.11678	10.2
137.09645	4.8
141.06982	3.7
143.08626	7.6
145.06512	4.1
145.10133	22.3
147.08069	3.8
147.11699	19.8
149.09628	26.9
149.13287	2.2
151.11179	2.9
153.09105	2.3
155.08557	4.2
156.09366	2.0
157.10155	8.2
159.08040	3.4
159.11713	14.5
161.09561	3.6
161.13264	7.1
163.11192	14.9
165.09061	1.8
165.12816	1.6
166.99721	1.5
167.08685	1.8
169.10120	5.8
171.08064	1.4
171.10335	1.8
171.11691	5.5
173.09627	3.0
173.11899	1.9
173.13254	6.6
175.11226	4.7
177.12769	3.2
179.14316	4.9
181.12086	1.3
183.11671	4.2
185.09663	1.6
185.13330	2.1
187.11162	6.5
187.14848	1.7
189.11258	9.6
189.12741	2.6
191.10692	2.6
193.05045	1.6
195.11661	2.7
197.09669	2.1
197.13321	2.1
199.14873	1.9
201.12798	2.2
205.12234	3.7
211.11215	1.6
211.14850	1.5
213.12848	2.5
221.15503	1.5
223.13176	1.8
227.12856	2.8
229.12062	1.5
229.19461	2.9
231.13802	2.2
233.11830	1.4
239.17992	5.3
247.20583	4.6
249.14966	1.7
257.19003	13.1
273.18613	2.4
275.20084	100.0
276.20651	1.5
293.21082	6.0
315.14456	1.5
317.21136	4.0
335.22226	3.1
337.21786	1.7
341.21118	1.7
355.22772	1.6
359.22046	1.7
365.21155	3.8
383.22403	7.7
401.23242	6.8
419.24335	20.2
437.19778	1.7
437.25232	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
57.07078	5.4
57.65935	0.5
58.06591	1.4
70.06255	1.0
70.06600	13.2
71.08625	2.7
71.56837	0.7
73.66874	0.5
79.05485	1.3
81.07059	0.9
85.10194	0.9
88.07637	18.5
91.05528	0.5
102.09190	12.2
103.01823	2.3
109.10188	0.7
131.08537	0.6
135.04454	3.6
163.03911	68.7
163.05026	4.4
172.68782	0.5
207.06544	74.1
212.23721	0.7
256.26367	43.1
308.01288	0.6
436.30634	100.0
437.30722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17878	0.4
53.03958	0.5
55.05516	2.0
56.05033	0.5
60.04530	2.3
65.03954	1.4
67.05508	2.5
68.05035	0.6
69.03444	1.2
69.07079	1.6
70.06602	1.2
70.27357	1.0
71.04996	0.8
72.04523	0.4
79.05504	2.3
80.05032	2.0
80.05853	0.4
81.03435	0.6
81.07061	4.6
83.04993	0.6
83.08640	1.1
84.08157	1.1
85.02911	1.2
85.82966	0.4
91.05492	10.5
93.07052	1.3
94.06580	1.3
95.04993	0.7
95.08625	1.6
96.08134	0.5
97.02875	0.4
97.06557	0.7
97.10195	1.3
97.23882	0.3
98.06070	0.7
98.97614	0.6
105.07059	1.8
106.06563	0.4
107.04990	1.2
107.08620	1.9
108.08121	0.4
109.10183	1.7
119.04955	26.2
119.08595	1.6
121.06535	0.7
121.10191	0.4
123.11752	0.8
125.09533	0.5
126.09949	0.6
127.11182	0.5
130.08646	1.2
131.04916	0.7
131.08591	1.0
133.10132	0.8
135.11726	2.0
137.05984	0.4
145.10104	0.6
147.04420	100.0
147.11729	0.6
148.04724	0.8
153.12860	0.4
159.07964	0.5
160.07616	0.6
163.14851	0.7
168.13872	0.8
180.13890	0.6
181.05002	0.5
188.07109	0.9
190.15909	0.9
198.14848	0.8
203.17981	2.4
206.15428	1.7
216.16013	0.9
218.15421	0.5
221.18988	2.1
224.16530	0.5
236.16411	2.8
254.17586	2.2
272.15839	0.8
272.18564	6.3
274.15280	0.4
290.19638	57.7
350.21860	0.7
368.23074	3.3
386.24194	2.7
396.27075	0.4
400.25699	0.5
404.25049	0.5
418.22147	5.8
418.26712	1.1
436.23096	15.7
455.13956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
56.05030	1.0
57.03424	0.4
60.04534	3.0
65.03947	1.4
67.05509	1.4
68.05023	0.8
69.07061	1.1
70.06588	1.5
71.44213	0.3
71.57413	0.5
72.04519	0.6
72.08147	0.4
79.05499	1.2
80.05022	3.0
81.03417	0.5
81.07054	1.6
83.04958	0.6
84.08140	1.2
85.02896	0.5
91.05487	13.8
91.70464	0.4
93.07044	1.6
94.06567	1.7
95.04978	1.2
95.08624	1.1
97.02925	0.4
97.06540	1.2
97.10172	0.4
98.06055	0.6
102.90997	0.4
105.07043	1.5
107.04975	0.5
107.08591	0.6
116.07117	1.3
119.04953	31.7
119.08575	0.6
120.08073	0.6
121.06518	0.5
121.10129	0.7
130.08623	2.3
131.04912	0.7
131.08569	1.5
133.06563	0.4
133.10100	0.7
135.11699	0.5
147.04419	100.0
147.11694	0.5
148.04741	0.6
152.03447	1.1
159.11784	0.4
160.07605	0.9
163.03897	0.5
168.13820	1.1
173.13313	0.5
177.05396	0.5
180.13832	0.7
182.04494	0.5
188.07051	1.0
190.15877	1.0
198.14937	1.1
206.15417	1.6
212.16403	0.4
216.16110	0.8
218.15405	0.6
223.07780	0.4
224.16357	0.6
236.16447	4.2
238.69391	0.4
254.17511	2.5
272.18579	8.1
290.19632	85.4
291.19955	0.8
327.26385	0.5
333.13336	0.6
418.22104	5.7
418.26913	0.4
436.23026	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01865	2.3
55.05501	3.0
57.03416	2.5
59.04993	1.9
60.98483	0.8
61.02920	2.0
67.05480	2.6
68.99776	2.1
69.03427	10.6
69.07059	4.9
70.06586	2.6
71.05000	11.0
71.48606	1.3
73.02908	3.0
73.06549	2.6
73.17061	0.8
79.05500	5.7
81.03414	7.4
81.07058	16.3
83.04996	1.0
83.08607	1.4
85.02907	25.6
86.39956	0.9
87.00831	12.9
91.03993	1.3
91.05457	3.4
93.07043	16.7
95.04963	1.5
95.08610	5.1
97.02901	14.6
97.06528	3.4
99.04446	4.1
105.01868	13.4
105.07013	3.6
107.08589	12.8
109.02890	6.3
109.06512	4.1
109.10146	4.0
111.04427	1.2
115.03931	1.1
117.07034	1.8
119.04903	1.6
119.08579	3.3
120.08096	1.1
121.06483	2.0
121.10131	1.5
122.41896	0.8
123.04461	1.6
123.08084	1.3
127.03918	16.7
128.06250	1.0
129.01852	1.3
131.08525	2.5
133.06421	0.9
133.10133	1.1
135.11696	20.6
135.12703	1.5
137.13242	1.5
145.04955	6.7
145.10165	1.8
147.04492	1.9
151.11159	1.1
153.12749	100.0
159.02882	2.7
163.11188	0.9
165.12822	2.4
173.09595	1.4
177.12721	2.2
189.12698	1.1
191.10684	1.0
195.10101	0.9
195.13805	3.5
207.13722	1.2
215.07031	1.1
218.56767	0.9
231.05029	2.9
237.14929	1.3
243.13869	1.2
249.06042	1.7
261.14847	3.3
267.86325	0.9
274.12674	1.1
279.15881	1.6
290.19705	1.2
309.11066	1.3
347.60999	1.3
365.15985	2.3
383.16840	3.8
401.17841	1.7
406.99454	0.9
436.18005	1.4
436.27625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01849	0.5
55.05498	1.8
55.15148	0.5
57.03415	0.8
57.17710	0.5
59.04990	1.6
60.98929	0.5
61.36001	0.5
67.05504	1.6
69.03412	1.7
69.07066	1.8
71.01273	1.2
71.04995	12.4
73.06559	3.0
79.05492	3.3
81.03382	1.3
81.07062	18.3
85.02912	5.2
87.00838	2.9
91.05472	2.0
93.07048	12.5
95.08595	2.5
97.02877	2.9
97.06512	1.7
98.97594	0.9
105.01868	2.5
105.07013	1.0
107.08598	10.5
109.10142	1.9
119.08578	0.9
123.08027	0.8
127.03930	3.2
131.91524	0.6
135.11696	19.8
135.12720	1.1
145.04938	1.6
147.04443	1.1
147.83539	0.5
153.12752	100.0
154.13036	0.9
171.13786	0.7
175.57303	0.5
231.04977	1.0
436.23465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.0
55.01860	10.8
55.05500	12.0
56.96560	3.3
57.03429	4.9
61.02917	7.8
63.08326	2.8
67.05502	9.9
69.03431	19.4
69.07072	15.1
70.06586	11.3
71.04996	7.0
71.18970	2.9
71.56844	3.0
71.57280	4.2
72.08159	7.3
73.02912	6.8
79.05496	25.5
81.03429	19.4
81.07063	22.2
83.04996	4.8
85.02907	68.9
86.09702	12.0
86.39365	2.8
87.00830	23.2
91.05484	30.7
93.07053	92.0
95.04999	5.0
95.08615	19.2
97.02907	31.1
97.06535	51.6
98.97594	10.5
99.04447	10.3
105.01858	40.8
105.07046	12.2
107.04968	3.9
107.08602	100.0
109.02879	25.1
109.10175	5.6
114.05640	2.9
119.04928	3.0
119.08551	5.8
120.08105	4.1
121.10169	3.4
123.04539	3.8
123.70200	3.0
127.03919	48.5
131.08569	3.0
135.11694	85.5
137.13248	5.9
145.04955	29.1
147.04471	7.7
148.04791	5.4
153.01823	6.4
153.12778	19.9
159.02927	10.8
167.06995	7.3
183.73906	3.4
191.71161	2.8
198.79974	3.0
205.08733	4.0
231.05013	11.5
237.18723	3.1
243.13748	3.2
249.05983	6.9
261.15100	3.8
271.06015	3.1
274.07870	5.9
274.14331	3.7
288.19531	3.7
394.00586	4.3
418.22266	3.6
436.23013	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09779	1.3
52.13551	1.3
53.03946	1.7
56.05033	2.4
56.96563	10.2
57.03430	7.1
60.04524	6.2
67.05514	2.1
69.03423	3.0
69.07071	1.9
70.06594	17.6
70.37324	2.7
70.37715	3.5
71.04992	3.4
72.08157	10.5
74.06090	1.9
75.04475	3.5
78.98338	1.6
79.05480	4.9
81.03439	3.3
81.07052	3.1
84.04510	5.0
84.08143	6.4
85.02916	6.4
86.06068	1.9
86.09718	6.7
87.04498	1.7
91.05485	9.1
95.04955	2.3
97.02896	2.7
97.06535	1.7
98.97607	3.3
103.05502	3.0
105.07043	28.5
107.04961	2.0
109.06557	2.9
110.07152	1.8
114.05621	1.4
114.07457	1.8
116.07104	2.7
116.98595	2.4
119.04962	7.1
120.08107	6.8
121.06531	1.6
122.03561	2.2
124.99097	3.3
129.10246	3.3
131.04977	1.6
132.06557	1.5
133.06497	58.1
136.05142	1.5
136.07597	2.2
137.05981	100.0
143.00198	5.2
143.11659	1.5
147.04420	23.6
148.06201	1.6
161.01192	2.8
163.07498	5.1
165.09119	38.7
175.07564	3.7
177.09174	2.0
181.08583	1.7
183.10173	21.9
193.12199	3.0
196.06270	1.6
196.16995	1.5
203.10683	2.9
209.01094	1.3
213.00629	1.9
221.01282	2.0
221.11755	2.4
228.10309	1.6
239.02350	8.4
239.12762	2.3
256.09650	1.6
257.03433	2.8
257.13855	57.0
267.16092	1.7
282.39841	1.6
292.20154	2.7
328.19366	3.1
331.04965	3.0
333.02814	4.0
350.16028	3.4
377.05405	2.3
395.06665	8.1
413.07468	8.4
418.24176	3.7
436.19296	10.0
436.25330	25.0
436.29681	1.7
462.51337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
55.01876	6.6
55.05521	4.9
57.03449	4.2
58.53371	0.8
59.04987	1.3
61.02914	3.1
65.03911	1.5
67.05499	5.6
68.99776	1.7
69.03085	1.0
69.03435	18.0
69.07056	4.9
70.06593	1.3
70.96019	2.3
71.05003	4.2
72.34623	0.9
73.02911	6.1
77.03901	1.1
78.56493	0.8
79.05495	12.0
81.02991	1.4
81.03420	19.8
81.07059	8.2
83.01344	0.9
83.04966	1.9
83.08589	1.1
85.02908	53.7
86.09704	1.1
87.00832	22.1
91.03944	2.4
91.05480	16.1
93.07047	76.1
95.04932	2.6
95.08611	10.2
97.02894	23.8
97.06531	6.9
97.86162	0.9
99.04452	9.7
101.44685	0.8
105.01185	1.7
105.01868	28.6
105.04478	1.5
105.07028	6.0
107.08598	100.0
108.04472	1.3
109.02132	1.1
109.02880	21.3
109.06495	2.1
109.10133	6.8
111.08051	0.9
115.03926	1.0
117.01846	3.3
118.10647	0.7
119.08574	1.8
127.03925	46.2
129.01804	2.6
133.06497	0.9
133.10071	2.0
135.11697	69.9
137.13248	1.9
145.04959	26.5
145.10120	1.4
147.02876	2.3
147.04396	1.6
147.11682	1.0
151.11198	1.0
153.12761	8.2
159.01695	1.5
159.02893	17.7
165.12810	2.2
171.13750	1.4
177.03951	1.4
177.12709	1.2
189.03914	1.0
189.12726	0.9
213.03935	2.6
227.11670	2.0
231.05016	10.9
242.88507	0.8
243.13771	2.2
249.06087	1.3
252.44417	0.8
261.14832	2.0
287.13736	0.9
315.13449	2.2
365.16055	1.0
450.76324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
55.05522	4.6
56.96569	1.9
57.07069	1.7
59.90859	1.5
67.05492	5.1
69.03429	1.8
69.07066	2.8
70.06597	2.5
71.04993	2.6
71.57348	2.2
79.05482	6.4
81.03389	4.0
81.07068	10.6
83.08607	2.5
85.02912	3.0
91.05475	8.4
93.07043	5.1
95.01321	3.1
95.04983	4.9
95.08597	3.1
97.02888	2.7
97.06516	4.3
97.10180	1.6
98.06915	1.8
98.09666	2.1
98.97581	6.8
105.07021	5.1
107.04989	3.3
107.08598	3.2
109.02883	1.9
109.06551	1.5
113.22651	1.4
116.10727	26.8
117.07020	2.8
119.04943	1.6
119.08590	4.6
120.08061	1.8
121.06493	2.6
121.10065	1.7
123.11700	1.5
129.06938	1.9
131.08566	3.4
133.06502	3.2
133.10094	2.0
135.04384	2.4
135.08012	3.0
145.06465	2.5
145.10155	2.3
147.04422	4.1
147.11703	1.9
149.02338	3.0
152.67624	1.6
161.05972	3.2
163.03972	3.0
165.05563	1.6
173.05951	2.4
173.09665	1.8
175.11139	2.0
189.05437	3.5
191.03409	2.0
197.09697	2.4
212.27621	1.6
217.04974	2.2
219.79007	1.6
221.04509	5.8
225.12672	1.7
233.11737	1.8
241.12317	3.4
251.10809	2.6
269.11758	4.9
277.10849	3.2
287.12753	7.9
291.03668	1.9
297.11163	2.8
305.13828	4.1
311.48569	1.7
315.12332	16.2
331.10370	1.9
333.13321	100.0
334.13461	1.6
338.12433	1.9
351.14389	41.9
369.15460	6.5
418.27725	2.1
436.29163	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	435.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
51.37400	1.0
53.03942	3.2
55.01860	3.4
55.05515	15.0
57.03447	1.4
59.05000	1.3
65.03939	2.9
67.05509	36.8
69.03418	2.1
69.07077	17.6
69.61360	1.0
69.79650	5.1
71.04982	3.4
73.06533	1.3
79.05064	2.0
79.05500	30.3
81.07062	40.1
83.04988	1.9
83.08620	8.9
85.06538	3.7
91.05487	55.2
93.07054	35.1
95.04973	3.2
95.08614	30.1
97.06535	3.7
97.10170	2.5
99.08092	1.5
103.05470	2.4
105.07038	57.2
107.04960	2.9
107.08595	17.9
109.06507	4.5
109.10172	12.0
111.08092	1.4
115.05449	2.4
117.07022	23.7
119.08589	38.0
121.06490	4.2
121.10139	13.5
123.08041	2.8
123.11685	1.9
125.09608	1.8
128.06204	1.4
129.07022	14.3
131.08572	38.8
131.09528	2.3
133.06477	2.9
133.10126	19.1
135.08105	2.4
135.11697	4.6
137.09633	2.8
141.06975	4.4
142.07819	1.3
143.08556	15.2
145.06548	2.4
145.10129	24.5
147.08052	3.5
147.11691	6.0
149.09619	3.6
149.13245	1.7
151.11215	2.5
153.09109	1.1
155.08569	9.2
157.10144	9.9
159.08067	2.0
159.11705	11.6
161.09583	2.9
161.13199	1.9
163.11185	1.5
167.08594	2.4
169.10144	8.4
171.11679	7.1
173.09659	1.3
173.13274	5.2
175.14865	1.4
177.12746	1.8
181.10162	5.3
183.11674	6.7
185.13223	5.3
187.11201	1.4
187.14848	4.3
195.11745	5.2
197.13213	6.0
199.14848	4.2
201.12677	1.8
201.16402	2.9
205.15906	1.1
209.13275	4.7
211.14763	5.6
213.12671	2.5
215.14342	2.2
217.15907	1.2
219.13733	1.4
223.14917	3.0
223.17043	1.2
225.16393	2.6
227.14334	2.5
229.15814	2.2
233.15489	3.5
235.14891	2.0
237.16344	2.8
237.18646	1.4
241.15891	1.8
243.17506	2.9
245.15288	1.3
247.16957	3.2
251.17978	1.3
255.17430	2.3
259.17017	1.5
261.18506	3.2
269.18951	1.5
271.16953	1.7
273.18576	3.6
275.20093	2.9
287.20114	2.5
307.24088	2.0
308.85385	1.1
325.25238	9.1
335.23770	11.1
343.26373	9.9
353.24759	38.7
357.27878	4.2
367.26324	3.5
371.25815	38.0
375.28821	3.0
385.27438	14.6
403.28470	100.0
417.30035	13.4
421.29257	1.5
435.31232	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	435.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01863	2.1
55.05297	2.1
55.05513	21.1
57.07074	2.6
65.03931	3.5
67.05508	47.1
69.07063	19.9
71.05013	2.7
71.17981	4.1
72.08167	4.5
79.05496	35.0
81.07062	56.4
83.04998	4.7
83.08629	11.4
85.06538	6.7
91.05486	54.5
93.07047	38.0
94.89588	1.7
95.04960	7.1
95.08617	29.9
95.96467	2.1
97.06544	7.3
97.10152	4.1
99.08102	3.0
103.05502	2.3
105.07037	62.7
107.04955	3.8
107.08625	16.7
109.02618	1.8
109.05869	1.7
109.06493	10.2
109.10155	7.4
111.08089	4.6
113.00018	2.5
115.05486	3.4
117.07032	26.3
117.43981	1.8
119.08582	41.4
121.06494	6.7
121.10141	10.1
123.11669	2.9
128.06256	4.1
129.07016	16.1
131.08578	42.2
131.51633	1.9
133.06512	2.6
133.10139	23.1
135.08028	6.7
135.11705	9.5
137.09612	2.6
141.06976	8.3
141.09067	2.0
142.07851	3.9
143.07106	1.8
143.07556	2.2
143.08533	15.2
145.10127	27.2
147.08038	5.6
147.11684	7.3
149.09532	2.9
149.13255	3.6
151.11041	2.4
153.05473	6.2
155.08604	13.3
157.10161	17.0
159.08060	2.5
159.11703	18.5
161.13242	4.0
167.08540	4.3
169.10107	11.8
171.03084	2.4
171.11740	11.4
171.13023	1.9
173.09532	2.5
173.13280	7.8
181.10152	5.3
183.11708	10.1
185.13245	5.1
187.11154	4.8
187.14778	2.3
195.11647	4.9
197.13280	7.3
199.11206	2.4
199.14764	2.1
201.12784	4.0
201.16563	3.1
209.13284	3.9
210.14767	1.8
211.14832	5.0
213.12749	3.4
215.14380	3.8
223.14864	3.4
225.16429	3.3
233.15334	3.2
237.16397	2.7
247.16891	3.6
255.17421	4.1
261.18582	3.7
267.17325	2.3
273.18491	3.4
275.20087	3.1
325.25195	9.7
335.23596	11.3
343.26300	14.1
353.24771	45.3
357.27884	4.1
362.30649	4.4
371.25851	33.9
375.28922	5.5
385.27283	18.0
391.46408	2.5
401.16400	2.1
403.28455	100.0
417.29727	14.4
422.31650	2.0
435.30789	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.184
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
54.18633	0.3
70.06595	1.1
71.56418	0.4
71.56812	0.6
72.08150	0.5
74.06050	0.5
75.74682	0.4
78.09628	0.4
84.08145	1.6
86.09716	0.7
91.05505	0.9
98.97575	0.5
106.75850	0.4
117.24619	0.4
119.04969	0.9
125.09597	0.7
129.10202	0.8
147.04434	3.2
260.13593	0.4
288.00446	0.5
303.14316	2.6
371.23730	0.4
394.02997	0.5
435.18430	100.0
435.27936	2.5
436.18719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05501	1.4
55.82800	0.7
56.96582	0.8
67.05506	3.2
69.07072	0.9
71.57201	1.1
79.05492	3.3
81.07030	2.1
83.08637	1.2
89.97080	0.6
91.05488	2.2
93.07041	3.0
95.08598	1.9
105.07016	1.9
107.08594	2.6
109.10134	1.9
117.07020	0.6
118.20555	0.7
118.96311	0.7
119.08625	1.6
121.10140	1.1
133.10147	0.8
135.11693	1.1
143.08543	0.9
147.98351	0.7
154.44218	0.7
156.12454	0.6
157.10020	0.7
159.02663	100.0
161.86269	0.7
177.58649	0.6
199.11099	0.8
200.05345	1.0
207.13872	1.0
211.69571	0.6
299.19833	19.8
346.66077	0.7
417.26907	1.0
435.22165	1.2
435.27634	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01698	3.0
53.03932	4.6
55.01867	12.3
55.05259	5.1
55.05514	61.5
56.58714	2.8
56.96551	4.6
57.03439	15.8
57.07054	3.1
59.05003	6.8
65.03955	3.1
67.05510	100.0
69.03422	8.0
69.07073	18.3
69.22684	32.0
71.01369	4.6
71.04984	4.1
73.02921	7.6
77.03965	3.4
79.05494	35.7
81.03427	17.5
81.07066	46.9
83.01375	3.1
83.04984	12.6
83.08625	21.6
85.02903	27.0
87.04459	16.2
91.05473	20.6
93.07034	18.5
95.04987	10.9
95.08619	19.1
97.02893	5.3
97.06557	7.2
97.10168	38.8
98.20775	5.0
99.97581	3.2
103.03954	8.5
105.07043	9.5
107.04935	6.2
107.08612	21.3
109.06499	3.6
109.09461	6.8
109.10159	82.6
111.08099	5.6
119.08598	12.3
120.48895	3.3
121.02901	4.2
121.10141	8.8
125.09640	46.6
131.08600	4.9
135.08015	3.5
135.11729	7.0
137.09697	4.8
143.10649	6.7
145.10144	9.4
153.12790	6.2
153.39897	3.4
155.10652	3.3
163.11206	16.0
173.09583	4.6
173.11772	41.4
181.12263	5.4
189.11223	3.7
191.10738	6.1
199.13301	13.1
201.38626	3.1
209.11804	5.7
217.14339	5.4
222.60237	3.3
227.12804	6.9
229.07428	7.5
229.14345	56.7
229.30316	3.9
257.13757	19.2
284.06192	4.5
301.16467	13.8
326.12735	6.4
338.07245	4.0
434.22076	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10164	1.5
55.01861	2.1
57.03442	27.7
58.02073	1.4
59.45868	1.4
61.02926	14.8
64.95795	1.4
69.03091	1.7
69.03436	31.3
70.06594	2.2
70.12925	6.9
71.01334	2.3
71.04979	2.3
73.02920	68.0
81.03403	6.1
84.96040	1.5
85.02910	100.0
86.20569	1.5
87.04468	4.3
91.03948	4.4
91.05479	3.9
94.80379	1.5
95.08628	2.6
97.02895	57.0
98.97640	2.1
99.04433	4.3
105.06324	1.0
105.07032	29.5
109.02901	8.8
115.03931	43.3
116.01569	1.4
117.25651	1.6
119.08617	2.3
121.45786	1.7
123.08114	1.6
127.03938	30.3
132.06563	1.7
133.04967	11.3
145.04965	60.5
147.08044	4.4
150.07603	6.6
163.06026	34.7
180.08725	1.8
201.00525	1.6
201.09067	4.1
219.10165	2.8
223.06015	4.6
231.10246	3.2
241.07083	6.2
249.11305	3.5
259.08115	7.2
285.13348	13.0
295.10269	5.8
302.15915	2.4
359.68753	1.7
416.26270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.7
55.01863	6.5
55.05516	32.3
57.07063	3.8
60.84576	4.4
63.46509	3.9
67.05511	45.4
69.03400	3.6
69.07070	23.3
71.57093	5.4
73.10844	3.8
79.05497	38.4
81.07062	50.6
83.08617	19.7
85.06546	5.1
91.05484	36.0
93.07056	42.1
95.04986	10.4
95.08605	35.4
97.06506	5.8
97.10146	8.9
98.98502	6.8
105.07045	49.7
107.04948	12.1
107.08568	29.5
109.06560	6.0
109.10156	14.6
111.08047	5.1
117.07037	31.1
119.04953	5.1
119.08583	31.8
121.06488	10.7
121.10149	14.3
125.09573	5.6
128.06227	10.3
129.07013	50.3
130.07858	4.6
130.83215	4.6
131.08580	53.0
131.45544	4.7
133.06454	16.3
133.10139	14.6
135.08072	6.1
135.11711	4.8
140.99490	6.2
141.06999	13.6
142.07805	6.5
143.08559	34.1
145.06480	14.0
145.10118	28.0
147.07994	12.6
147.11647	5.6
149.09579	9.3
155.08600	25.7
157.10129	25.1
159.08124	9.9
159.11678	11.2
161.09613	5.9
163.11212	8.8
167.08536	11.9
169.10118	19.9
171.11696	10.0
173.13326	8.8
179.08475	6.1
181.10109	13.8
183.11681	9.7
185.13260	6.7
193.10141	4.7
195.11752	8.4
197.02077	7.4
197.13197	8.5
199.14833	7.9
203.14261	5.5
207.11676	6.1
209.13261	12.9
213.12863	6.7
221.13231	9.0
221.37146	4.8
223.14801	9.7
227.14297	5.1
233.13206	5.6
233.15298	5.1
235.14842	4.8
245.15504	5.7
253.15837	11.4
271.06177	5.7
273.18512	8.3
275.16498	7.2
283.05994	17.7
285.18597	7.1
313.07178	6.5
323.09167	5.1
323.23621	8.4
333.21982	23.6
337.07013	7.0
341.24725	8.4
351.23190	51.7
355.26254	5.6
369.24112	46.5
373.27533	10.7
383.25879	20.0
397.09000	6.2
401.21957	7.4
401.26901	100.0
415.28326	36.6
433.29874	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	433.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
55.01873	7.4
55.05511	37.7
57.07071	4.6
65.03937	4.6
67.05169	5.2
67.05508	63.9
69.07076	26.2
69.68079	19.8
70.14246	3.2
71.04980	3.1
73.06548	3.3
79.05494	51.4
80.91209	3.0
81.03413	3.7
81.07062	52.7
83.04975	3.6
83.08633	17.5
85.06538	5.7
91.05488	67.8
92.23247	3.1
93.07040	42.2
94.21589	3.2
95.04966	8.1
95.08616	34.5
97.06535	7.9
97.10175	10.8
105.04474	4.0
105.07042	45.6
107.04964	11.8
107.08581	25.0
109.06517	7.2
109.10157	14.9
113.00014	16.8
115.00494	5.0
115.05465	7.2
116.06200	3.0
117.07016	51.7
117.71973	3.0
119.08594	35.4
121.06505	8.4
121.10148	14.5
123.08023	4.4
123.11703	3.9
125.09633	6.7
128.06219	13.4
128.23447	3.5
129.07031	38.5
130.07780	4.8
131.08577	81.9
133.06453	7.1
133.10130	19.0
135.08055	6.7
135.11726	5.6
141.07005	8.8
142.07803	4.2
143.08583	42.5
144.29169	3.4
145.06535	6.6
145.10135	42.3
147.08035	7.5
147.11728	7.1
149.09650	6.7
151.11194	5.9
155.08540	22.3
157.10120	25.5
159.11655	12.9
163.11098	4.3
167.08603	9.8
167.63066	3.0
169.02678	6.6
169.10143	17.8
171.03003	3.5
171.08072	6.3
171.11772	19.3
173.13260	4.9
181.10124	13.7
183.11684	9.2
185.13214	5.5
193.10080	6.3
195.11726	6.5
197.13211	9.4
209.13353	9.4
211.14799	5.0
221.13324	3.3
223.14777	4.2
225.12788	3.4
227.14291	6.0
231.17480	7.9
235.14696	5.8
235.16983	3.8
237.16393	5.2
238.00446	3.1
239.14311	4.1
241.15907	4.4
245.15303	4.7
247.46867	3.1
259.16904	5.0
271.16888	3.7
273.18530	4.9
281.19128	3.6
283.06024	5.2
285.18488	4.3
299.20401	3.1
313.06982	5.1
337.25305	6.1
347.23627	13.5
355.26227	12.0
361.49765	3.3
365.24750	36.2
369.24155	5.1
383.25851	73.1
397.08987	3.7
397.27280	6.7
401.26886	63.5
415.28409	100.0
433.29376	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60006	9.1
55.05500	25.5
57.22633	7.0
67.05508	58.9
69.07047	33.7
69.78838	42.3
71.14352	7.4
72.47189	7.8
79.05486	31.3
80.14961	8.1
81.07079	62.7
83.08617	13.4
91.05479	45.7
93.07041	34.6
95.04940	13.0
95.08592	25.6
97.10210	11.8
105.07034	51.7
107.08576	29.0
109.10112	11.2
113.00021	68.5
117.07040	39.0
119.08571	28.9
121.06543	10.5
121.10148	14.6
129.06987	41.0
131.08583	51.5
133.06482	12.7
133.10143	20.3
135.07947	10.7
141.06995	10.4
143.08540	21.9
145.10080	22.6
155.08574	14.7
157.10136	26.8
159.08049	10.6
169.02626	96.3
169.10120	28.1
182.94936	8.2
183.11725	15.6
189.77647	10.4
195.11737	9.7
209.13284	12.0
221.30695	8.7
271.16528	7.6
283.06131	22.9
313.07071	15.4
333.21814	11.1
341.24835	8.8
351.23065	37.0
369.24261	61.9
383.25668	8.1
401.26926	100.0
415.28430	17.9
433.31232	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05510	0.8
56.05038	5.5
56.32299	0.3
60.04523	5.5
67.05506	2.6
68.05051	0.4
70.06596	1.5
70.80910	1.0
72.04516	0.5
72.08154	0.4
73.02933	0.5
79.05491	3.9
80.05024	1.3
81.03429	1.4
81.07048	3.3
82.06598	1.1
83.04984	0.5
83.08633	0.5
84.08149	100.0
85.08483	0.5
86.09705	0.9
86.72038	0.3
91.05462	1.9
93.07058	2.2
94.06568	0.6
95.04971	0.6
95.08623	1.6
96.08142	1.7
97.06541	0.8
97.08937	0.9
98.09701	11.8
98.97622	0.5
100.12074	0.4
105.07029	1.0
107.04951	0.8
107.08604	2.0
108.08129	0.4
109.06528	0.6
109.10174	0.8
110.09688	4.7
113.63455	0.3
114.09206	0.9
117.07057	0.6
119.08570	0.9
121.06530	0.4
121.10139	1.1
122.09685	1.7
123.10464	1.2
124.11250	1.6
125.09678	0.4
125.51392	0.4
126.09171	15.0
131.08606	0.5
133.10153	0.9
133.20976	0.4
134.09708	0.6
135.08150	0.4
135.11644	0.6
136.11238	1.4
138.12787	0.9
142.12294	5.8
145.10158	1.3
150.12787	0.6
156.12607	0.4
156.13876	1.0
162.12766	0.6
163.11234	0.6
178.15967	0.5
180.13844	1.2
181.12279	1.1
193.99965	0.3
198.14963	1.6
204.17606	1.1
218.19044	0.4
222.18494	0.4
234.16986	0.8
236.20074	1.8
248.20180	1.1
250.21844	0.4
252.81311	0.4
258.17001	8.4
259.21637	1.0
260.20142	2.1
263.21298	0.7
266.21140	2.0
272.18518	1.0
276.18192	1.4
277.22644	0.8
278.21127	2.4
295.23752	1.0
296.22134	3.8
308.22275	0.4
313.24869	0.9
319.23813	0.8
337.25024	2.9
355.25937	33.6
356.26569	0.5
373.27048	2.6
391.28104	1.0
397.26938	2.8
401.26404	2.0
415.28058	74.5
416.28458	1.1
433.29120	64.8
434.29321	1.8
438.42444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
57.02089	0.8
57.03447	1.2
67.05489	1.7
69.03427	1.4
69.26521	7.4
70.06590	2.2
71.04964	1.0
72.08167	1.6
79.05485	1.4
81.03424	1.8
81.07032	2.2
84.08128	2.4
85.02885	3.5
86.09687	2.7
91.05476	2.4
93.07084	1.2
95.08576	0.8
97.02911	2.3
97.06529	2.3
98.20585	0.9
105.07012	2.4
107.08578	1.7
119.04939	3.1
120.08115	1.5
121.02870	7.7
127.03973	1.0
133.10153	1.2
145.02858	2.1
147.04367	1.7
149.02301	1.1
154.54776	0.8
163.03911	2.3
165.01826	7.5
167.03435	1.3
176.69011	0.8
183.02957	1.8
185.11470	8.1
185.15219	1.0
213.03419	1.0
213.09087	1.1
213.10970	5.5
213.15677	0.9
215.06995	1.3
217.04985	1.3
255.06506	1.3
256.07132	1.6
267.06461	4.3
270.05356	1.6
271.03058	1.4
271.06033	26.5
281.08112	3.6
283.06015	63.5
284.06763	12.5
295.06110	7.7
295.09262	1.2
297.07504	3.6
305.08096	1.8
308.06796	2.1
309.04089	1.6
309.07483	11.4
313.07065	52.2
314.07440	1.1
321.07510	1.9
323.09149	11.8
329.15738	3.1
333.07623	2.9
337.07086	24.0
343.08026	1.7
347.16779	22.3
349.07031	5.7
351.08334	1.5
355.13541	1.1
361.06940	5.2
367.08139	16.8
379.08148	11.4
389.17838	59.4
397.09183	16.3
415.10196	15.7
415.28058	1.2
433.11151	20.9
433.16739	100.0
434.17487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1681
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.14683	0.3
55.05511	0.4
56.05028	0.6
57.03442	0.5
60.04520	0.5
61.02941	0.4
69.03433	0.5
69.07066	0.6
69.82159	1.6
70.06583	1.5
72.08156	4.0
73.02905	1.4
74.06084	0.8
81.07066	0.5
81.50981	0.3
84.04488	1.0
84.08145	4.4
84.81937	0.3
85.02892	1.3
86.09708	7.1
91.05485	1.1
94.92836	0.3
97.02882	0.8
98.97587	0.6
102.05546	0.5
115.03935	1.1
119.04930	1.8
126.09159	0.6
127.03921	0.4
133.04944	0.6
140.07016	0.3
141.10207	0.5
142.12289	0.4
145.04965	0.6
147.04414	5.9
163.06114	0.3
187.10776	1.2
193.36349	0.3
201.12291	0.5
215.10213	0.9
218.97458	0.4
219.13463	0.7
221.05090	0.7
229.11874	0.4
259.08469	0.3
259.97894	0.5
271.06113	0.5
301.12656	3.1
328.18295	0.4
355.25937	0.9
415.27997	3.0
433.16837	100.0
434.17041	1.2
450.54068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35355	0.2
69.89326	1.4
70.06589	0.3
72.08138	1.6
79.24277	0.3
81.07048	0.3
84.04491	0.4
84.08173	1.4
85.02901	0.4
86.09703	2.6
91.05470	0.3
93.62630	0.3
94.06850	0.2
98.97588	0.6
100.21600	0.3
105.10868	0.3
134.94682	0.3
147.04399	0.9
159.11235	0.3
177.67213	0.3
201.12445	0.4
209.18330	0.3
233.14830	0.3
247.12939	0.3
259.07870	1.6
266.36475	0.3
271.11487	1.5
279.94336	0.3
289.11368	0.5
322.60089	0.3
323.39087	0.3
339.84604	0.3
343.10037	0.4
356.47470	0.3
369.11472	0.6
401.14169	1.6
415.27972	0.9
433.16821	100.0
434.17172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62867	0.3
51.95692	0.3
53.61907	0.3
55.05506	0.4
55.49519	0.3
56.05032	0.6
56.51786	0.3
56.96563	0.4
57.03419	0.5
60.04521	0.6
67.05499	0.4
69.51641	2.2
70.06599	1.7
71.62282	0.3
72.08167	2.8
73.02919	0.7
74.06070	1.2
79.05495	0.4
79.32643	0.3
81.07063	0.8
84.04531	0.8
84.08143	6.3
85.02911	0.5
86.09715	3.9
91.05489	1.2
97.02888	0.8
98.09660	0.7
115.03989	0.4
116.98647	0.4
119.01945	0.5
119.04969	1.7
126.09180	0.9
130.06590	0.4
142.12274	0.6
147.04398	5.6
155.10118	0.3
158.99605	0.4
187.10858	0.5
203.04114	0.7
215.13879	0.4
221.05043	1.7
225.07262	0.6
237.02853	0.3
258.17072	0.5
259.97775	0.3
270.72568	0.3
301.12567	4.1
351.20288	0.4
355.25998	2.0
366.21091	0.3
415.28046	4.1
431.59402	0.4
433.16830	100.0
433.28879	4.2
434.17203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.33669	0.1
57.70214	0.1
62.10881	0.1
67.01860	0.5
68.99809	0.3
70.58797	0.3
71.51997	0.1
82.22470	0.1
88.45274	0.1
91.05493	0.3
99.72471	0.2
112.74650	0.1
119.04941	1.7
121.02879	0.7
145.02852	0.6
153.01830	4.4
157.84016	0.1
163.03926	0.4
225.05421	0.3
229.05022	0.4
234.15858	0.1
243.06436	0.2
246.67923	0.2
271.06012	100.0
272.06363	1.4
283.06033	0.8
313.06967	0.7
337.06976	0.3
379.07932	0.2
415.10199	0.2
433.11215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Vitexin
Peak:m/z	Relative Intensity
55.01885	0.8
57.06941	0.8
65.29385	0.9
66.44623	0.9
69.30408	2.3
69.30814	7.3
78.90800	0.9
79.01871	1.0
84.08143	7.3
85.02896	2.2
87.45172	1.2
99.82245	0.9
106.32700	0.9
109.02876	1.3
118.16103	1.0
119.04936	3.0
121.02877	9.7
126.09148	2.9
145.02893	1.8
149.02370	1.2
157.06557	1.0
163.03883	1.9
165.01802	8.7
167.03496	1.2
177.01878	1.7
183.02855	1.8
195.02901	1.4
213.05489	1.8
217.05156	1.0
229.05081	1.5
243.02913	2.3
243.06650	1.1
255.06508	1.3
256.07312	3.1
259.05978	1.3
260.83353	1.0
261.03952	1.4
267.06577	5.7
270.05154	1.6
271.06113	5.5
281.08167	3.5
283.06012	100.0
284.06769	20.0
289.62067	1.0
295.06003	12.2
295.09390	1.6
297.07538	10.3
305.08252	2.2
307.05856	1.9
308.06802	1.9
309.07541	16.8
311.05502	2.6
313.07059	97.0
320.70508	0.9
321.07440	1.9
323.05646	1.2
323.09155	23.1
325.07092	4.0
333.07675	3.2
337.07080	34.4
343.08203	3.3
349.07007	7.4
351.08710	5.5
355.08105	1.2
361.07028	6.4
367.03705	1.6
367.08151	23.2
379.08160	15.6
395.74088	0.9
397.09195	27.5
413.15488	1.1
415.10260	28.0
415.27972	4.5
433.11316	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.4
69.03423	1.9
69.07057	1.3
70.06586	2.0
72.08149	2.9
73.37113	1.0
79.05503	1.0
84.04495	1.0
84.08138	2.8
85.02905	3.0
86.09703	4.6
87.08122	1.2
88.02236	1.0
90.05599	1.0
91.05485	0.9
93.07030	1.2
97.02885	1.6
98.97586	2.4
102.01316	0.7
103.05481	6.4
107.04956	2.2
111.33777	0.8
119.04917	1.8
120.08111	100.0
121.08443	1.3
127.03925	1.0
129.10266	1.2
131.04956	2.4
138.09134	1.3
147.04387	5.1
149.06039	2.1
166.08646	50.8
177.05479	1.0
184.19948	0.7
191.60847	0.8
204.06624	0.8
231.05547	0.8
234.07948	0.8
237.02844	0.8
240.05470	0.9
240.41998	0.8
270.13361	0.9
281.10370	1.2
287.30829	0.8
432.18130	0.9
432.27884	1.3
433.16898	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	431.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01875	14.5
55.05513	82.0
57.03423	4.4
57.07055	1.8
59.04987	4.1
67.05508	49.4
69.03444	8.5
69.07072	20.2
71.04984	2.6
71.57572	1.9
79.05498	54.2
81.07060	38.4
83.04976	5.5
83.08624	37.3
85.06537	3.2
85.61981	1.2
86.07776	1.5
91.05490	21.1
93.07050	23.3
95.04973	2.0
95.08610	11.3
97.10175	89.8
103.05453	6.3
105.03394	2.5
105.07044	14.3
107.04951	3.0
107.08598	46.6
109.06509	3.4
109.10153	12.6
111.08079	3.4
113.00018	21.5
115.05460	5.0
117.07019	25.7
119.08596	9.4
121.10149	4.5
125.09638	100.0
128.06241	3.3
129.07011	17.7
131.04897	7.5
131.08569	15.8
133.10109	3.4
135.08076	25.9
137.09604	3.3
141.06947	5.8
142.07835	1.4
143.04927	2.1
143.08549	8.0
145.06514	12.1
145.10100	4.2
145.57999	1.5
147.04417	2.9
147.08043	3.4
149.09619	4.9
153.09097	18.5
155.08569	6.6
157.06497	4.0
157.10120	4.3
157.12228	11.1
159.08052	4.0
164.80214	1.3
167.08559	5.8
169.02617	22.3
169.10130	7.9
171.08041	2.3
171.10172	4.2
171.11682	5.5
173.13229	1.4
181.10153	2.6
183.11688	2.5
185.09705	1.5
185.11722	2.8
185.13289	3.7
187.14799	1.4
195.11678	5.3
197.09589	1.9
197.13264	6.1
199.11119	1.6
203.12788	90.2
205.10216	1.8
207.11708	2.3
209.09807	1.6
209.13426	1.7
211.14801	1.4
213.12852	6.4
215.14326	44.5
221.13290	2.2
223.11188	3.5
233.15411	1.6
235.14870	1.7
241.12263	4.3
245.15385	4.9
247.16978	10.0
265.16052	1.5
271.16959	1.4
273.14816	9.1
285.18451	2.0
301.18161	1.5
321.22330	3.5
331.20657	2.4
339.23184	3.9
349.17551	2.2
349.21381	14.1
353.24707	3.0
363.23227	1.6
367.22687	27.7
367.27011	1.1
371.26025	3.6
381.24347	17.1
399.25333	85.8
413.27234	1.7
431.27902	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50275	1.2
53.03935	5.3
55.01872	11.5
55.05515	84.0
56.69787	1.4
57.03444	9.4
57.07080	2.9
59.04990	2.6
65.03938	2.6
67.05510	52.0
69.03413	5.2
69.07070	20.9
70.06581	1.5
71.04981	2.1
71.57302	1.6
77.03902	1.4
79.05496	64.7
81.06584	2.5
81.07060	49.1
83.04979	7.4
83.08150	1.7
83.08626	33.0
85.06519	3.7
90.38638	1.4
91.05487	27.1
93.07047	28.2
94.22378	1.3
95.04982	2.1
95.08614	14.7
97.06535	2.6
97.10175	78.2
99.08101	1.5
100.88777	1.5
101.58353	1.3
103.05461	15.3
105.03380	3.1
105.07034	15.3
107.04947	4.0
107.08598	47.3
108.23395	1.2
109.06519	4.9
109.10159	15.3
111.08076	4.7
112.77370	1.4
113.00024	81.9
115.05466	5.4
116.06252	2.1
117.07021	22.9
119.08586	9.0
121.06532	2.5
121.10149	6.0
123.08072	2.6
123.11704	1.4
125.09641	80.2
128.06223	4.1
129.07016	20.0
131.04945	7.6
131.08580	15.3
133.06470	2.4
133.10110	3.8
135.08057	26.9
135.11690	1.6
141.07010	8.6
141.10251	2.1
142.07776	2.3
143.04884	2.8
143.08578	9.9
145.06490	15.6
145.10132	4.8
147.08067	2.4
147.11743	1.6
149.09608	6.3
153.09103	20.4
154.07884	1.8
155.08551	8.1
157.06512	1.5
157.10107	5.4
157.12186	7.3
159.08063	1.5
161.13280	1.8
167.08559	3.8
169.02620	84.3
169.10139	8.9
171.08022	2.5
171.10283	3.3
171.11685	5.6
173.11758	2.3
173.13252	2.4
181.10135	4.7
182.10942	1.3
183.11705	2.9
185.11726	1.8
185.13260	4.2
193.10133	2.2
195.11676	8.5
197.13371	8.2
201.76051	1.3
203.12787	67.2
205.10112	2.2
207.11707	2.3
209.13206	2.1
211.11343	1.9
211.14767	1.9
213.12772	6.9
215.14325	43.7
221.13234	2.9
223.11223	5.7
223.14842	2.1
227.14294	1.5
237.12781	3.4
237.16663	1.7
241.12212	5.1
243.13673	1.5
245.15503	5.2
245.22797	2.5
247.16954	6.9
251.14423	1.9
263.23651	6.7
269.15500	2.1
273.14877	8.7
285.18439	1.6
291.16006	1.6
321.21951	3.8
331.20523	4.3
339.23340	3.9
349.21661	18.5
353.24875	2.5
367.22702	47.8
371.25836	2.7
381.24252	21.5
399.25333	100.0
413.26831	1.9
431.18646	5.2
431.27866	51.8
431.32733	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	431.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.8
56.96560	1.3
67.05501	1.1
69.26446	3.0
69.26873	3.4
70.06592	1.5
72.08182	0.7
79.05489	0.8
81.07062	1.7
84.04514	0.7
84.08150	100.0
85.02884	0.8
86.09716	9.7
91.05469	1.1
93.07032	1.4
95.08620	1.1
96.08089	0.8
97.02915	1.1
98.09686	3.5
98.19963	0.7
98.21459	1.4
98.97592	16.7
107.08620	1.0
110.09690	1.4
114.05628	0.8
114.09165	1.0
116.98637	3.9
120.08180	1.1
124.11225	0.8
126.09169	26.7
136.07574	0.8
136.11235	1.2
147.04433	1.0
150.12843	1.0
158.99699	3.5
159.11690	1.1
169.07436	0.6
177.00771	1.5
178.12289	3.6
195.61870	0.8
196.13400	1.0
201.12279	0.8
210.14925	2.3
219.01831	1.2
223.28508	0.6
245.18571	0.8
251.09555	6.8
269.10657	4.4
275.21191	7.0
276.19568	1.9
293.22232	3.7
311.11511	1.2
317.22168	4.0
335.23331	12.5
335.27060	1.1
353.24338	13.6
371.13940	1.7
371.25558	1.1
377.24384	36.7
395.25552	27.3
413.26630	9.6
431.18927	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	431.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.05037	4.8
57.15082	0.3
60.04519	1.1
67.05496	1.6
69.84710	0.9
69.85101	1.0
70.06599	1.1
71.19433	0.4
79.05492	0.9
80.05022	0.3
81.07059	1.6
82.06596	1.2
84.08148	88.4
85.08494	0.5
90.78841	0.4
91.05495	1.2
93.05833	0.4
93.07063	0.6
94.06577	1.6
95.08613	1.5
96.04498	1.5
96.08128	2.4
97.08923	2.8
98.09698	5.0
98.21490	0.6
105.07050	0.6
106.06526	0.5
107.08635	0.5
108.08129	1.5
110.09687	7.5
110.10402	0.7
114.09194	2.3
115.20589	0.3
117.06982	0.4
119.08583	1.0
120.08121	0.6
122.09667	2.2
123.10445	2.2
124.11276	2.0
126.09153	3.5
133.10130	0.7
134.09665	1.5
136.11224	6.0
138.09233	0.6
138.12860	0.9
140.10637	0.6
142.12331	0.4
148.11212	1.1
150.09164	0.6
150.12784	3.1
154.12222	1.8
158.69136	0.4
160.11247	0.8
162.12839	0.9
164.14421	0.9
172.13361	0.4
174.12836	0.7
176.14374	1.3
178.12289	6.4
178.15805	1.9
188.14398	0.5
190.16020	0.5
192.17509	0.8
196.13341	1.3
204.17490	1.2
214.15997	0.6
216.17482	1.7
218.15547	0.5
218.19016	0.4
220.13322	0.6
221.20132	0.7
222.18617	0.5
234.18533	1.4
236.20149	1.0
247.21678	0.8
248.20209	0.8
251.21202	1.8
257.20190	2.7
258.18585	1.5
263.21280	1.0
264.19687	0.9
265.22668	0.4
273.19705	0.6
275.21207	23.7
276.19473	2.0
289.22717	0.8
293.22244	23.0
294.20609	2.8
299.21124	2.9
311.23303	5.1
317.22253	10.9
329.24316	0.5
335.23285	11.6
353.24365	11.9
371.25421	8.2
377.24258	0.7
395.25421	5.1
395.70566	0.4
413.26517	27.5
431.27557	100.0
432.28168	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.05039	5.4
57.88574	0.5
60.04510	0.6
67.05495	1.2
69.22404	1.9
69.22829	3.3
70.06596	1.5
72.08153	0.6
79.05486	1.0
81.07067	1.1
81.16545	0.6
82.06574	1.3
84.04512	0.6
84.08152	76.6
85.02921	0.5
85.08488	0.6
86.09714	2.3
91.05494	1.4
93.07063	1.2
94.06577	1.6
95.08636	0.7
96.04538	1.3
96.08135	2.6
97.08928	3.1
98.09714	5.3
98.20732	1.1
105.07046	0.7
108.08128	1.0
110.09683	5.9
114.09197	2.3
119.08609	0.7
120.08084	0.7
122.09712	1.7
123.10480	2.0
124.11241	2.1
126.09193	3.5
134.09676	1.6
136.11232	5.0
138.12793	0.8
140.10817	0.6
148.11232	1.4
150.12804	2.1
154.12289	1.2
160.11258	1.2
164.14355	0.8
176.14357	0.8
178.12305	7.0
178.15991	1.3
188.14383	0.7
196.13531	0.6
204.17577	1.4
216.17378	1.1
221.20216	0.7
229.60750	0.7
234.18686	2.0
236.20055	0.7
251.21370	1.5
257.20212	2.1
258.18576	1.1
266.21170	0.6
275.18185	0.8
275.21216	19.6
276.19687	2.3
293.22260	20.4
294.20789	2.2
299.21378	1.9
311.23248	4.0
317.22256	8.5
325.03781	0.8
335.23346	9.7
335.27084	0.9
353.24356	9.4
371.25394	6.8
377.24759	0.9
395.25378	3.9
413.26474	24.5
431.27576	100.0
432.27893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	15.4
55.01875	12.3
55.05527	20.0
55.44232	9.7
56.96562	21.1
57.03424	13.2
67.05501	38.9
69.03430	39.9
69.07066	18.5
69.28408	100.0
71.04980	13.5
71.44098	11.0
79.05507	40.4
81.03426	60.7
81.07064	42.4
82.03796	11.0
83.05001	12.9
83.08624	23.2
85.02904	29.6
91.05488	48.0
92.05833	12.2
93.07032	39.6
95.04970	25.9
95.08601	30.4
97.02887	41.1
97.10220	13.4
98.97567	14.7
105.07029	44.7
106.07382	11.8
107.08624	20.1
109.02836	14.1
109.10165	20.3
117.06991	15.0
119.08598	30.1
121.10168	24.1
127.03913	11.9
129.07059	15.9
131.08522	25.1
133.10178	23.0
135.11671	11.4
145.10115	16.9
157.10197	16.4
159.11693	16.8
166.58006	12.2
175.11197	17.0
180.17311	12.0
185.13264	24.6
193.12279	36.2
194.12610	18.1
211.13269	30.7
212.13672	23.3
219.17403	14.1
224.08119	20.8
239.18042	11.4
257.19019	18.2
260.27759	12.9
262.24973	10.5
275.20062	36.4
349.23654	66.3
395.79202	12.0
426.06427	13.2
430.21484	60.6
430.35526	12.6
431.18796	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	1.1
55.05509	4.3
56.05022	1.1
56.05834	0.6
56.96558	1.5
57.03437	0.9
60.04520	1.4
67.05515	5.9
68.05035	0.6
69.03445	2.6
69.07069	6.1
69.25153	4.4
70.06594	4.3
71.04992	1.9
72.08163	4.4
79.05106	0.7
79.05503	5.0
80.05031	0.6
80.05857	0.7
81.03406	2.3
81.07070	5.7
82.06549	0.9
83.04986	1.3
83.08598	0.8
84.04503	1.7
84.08144	3.6
85.02904	2.4
86.06073	21.4
86.09721	0.9
87.04480	3.3
91.05486	8.7
93.07045	6.8
94.06558	0.6
95.04963	1.7
95.08614	12.8
96.05278	0.6
96.08153	5.4
96.08736	0.7
96.08939	0.5
96.78912	0.5
97.02905	1.1
97.06563	3.0
97.10178	0.6
98.06065	8.6
98.09695	7.8
98.20735	1.3
98.97578	2.7
99.04455	1.8
102.05524	0.5
105.07053	3.7
107.04949	0.8
107.08597	1.8
108.08124	2.1
109.06525	1.0
109.10166	4.2
110.09696	1.0
111.08080	0.9
112.11314	0.5
114.09155	1.6
116.10740	48.9
116.98568	0.6
117.07024	0.7
119.04919	0.8
119.08595	10.0
120.08108	0.8
121.06537	0.7
121.10156	2.6
122.09667	1.0
123.04456	0.6
123.08058	1.3
124.07583	2.3
126.09180	0.7
127.03909	0.9
131.04926	2.2
131.08577	2.4
133.10149	1.1
135.11658	0.6
137.06010	0.7
137.09627	6.3
140.10696	3.5
141.09117	0.7
142.08647	5.8
145.10091	0.8
146.08122	0.8
147.04391	1.0
147.08060	2.0
149.01086	0.7
149.09596	0.7
149.13243	0.8
152.10712	1.0
157.10158	0.6
158.11784	12.1
158.99673	0.9
159.04413	0.8
161.05966	0.8
163.03949	1.1
166.12239	0.7
171.11644	0.6
173.06041	0.7
173.11906	0.5
177.00792	0.6
184.13268	0.9
196.13354	0.7
196.17035	0.7
209.11693	0.5
212.16306	0.6
214.14409	1.4
230.63744	0.6
236.20125	0.9
238.17999	1.9
243.08762	0.8
243.59143	0.9
245.13838	1.8
252.15921	0.8
254.21187	4.6
256.18976	3.8
259.10007	0.5
262.18015	0.7
280.19073	5.6
288.17972	3.9
298.20178	4.4
316.21198	100.0
317.21661	1.0
324.10370	1.3
324.60712	3.5
325.10678	1.2
327.26398	0.8
328.26706	1.2
333.60989	0.9
352.26828	2.0
356.15607	0.7
370.27908	2.8
384.27905	0.7
394.27823	2.1
412.28876	17.3
430.19034	1.5
430.28342	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	430.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93856	0.9
53.03936	1.3
53.34775	0.9
55.05493	1.3
55.10035	1.0
55.15343	0.9
57.03439	28.8
57.07080	12.7
61.02694	0.8
61.02936	9.9
63.04197	1.5
63.04494	18.8
67.05495	1.0
69.03432	28.0
70.06597	1.9
71.01344	2.3
72.08173	2.0
73.02919	51.5
73.21167	1.0
79.05440	0.9
81.03429	4.6
84.04531	1.1
84.08149	2.8
85.02909	39.2
86.09712	12.5
87.04456	2.2
91.03964	1.8
91.05482	2.1
92.12830	1.0
93.07023	1.3
95.04975	1.2
97.02894	37.4
98.20770	3.0
99.04415	1.6
103.03947	1.1
107.04980	1.1
109.02869	3.3
115.03941	37.7
116.07078	1.6
119.10698	100.0
123.04437	0.9
125.09628	1.3
127.03922	13.3
129.10117	1.0
129.48012	1.1
133.04971	10.8
143.11806	3.2
145.04971	12.6
147.04422	4.4
147.07751	1.2
150.07677	1.2
163.06075	4.7
171.11371	1.8
223.06010	3.5
241.07092	5.1
245.13835	1.3
251.14816	1.9
255.06558	1.4
259.08185	4.6
261.14673	1.6
281.15939	3.7
284.19788	1.3
295.10254	2.5
299.05447	2.2
327.26419	1.5
430.24335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05507	2.2
56.12308	1.1
57.07083	16.5
65.28883	1.0
67.05486	4.3
69.07047	2.8
71.08635	12.4
81.07058	7.0
83.08605	3.7
85.10175	4.8
91.05492	1.6
93.07029	2.3
95.08637	6.5
97.10147	1.6
107.08597	6.3
109.10160	6.5
111.11764	1.6
114.56731	1.1
119.08568	3.2
121.10154	3.6
123.11739	1.6
131.08543	2.4
133.10187	1.6
135.08073	6.8
135.11668	1.9
137.09608	10.2
139.07549	1.7
145.10115	3.4
149.09645	13.5
151.07593	1.3
159.11703	3.3
163.11188	20.8
164.08295	2.5
165.09125	100.0
173.09613	1.8
173.13269	1.5
175.11163	6.5
176.08345	1.1
177.09111	10.5
177.12717	2.8
179.10695	1.7
183.56432	1.2
187.11218	3.0
191.10654	8.5
201.12744	3.5
203.10706	1.4
205.12263	11.0
215.14322	1.7
219.13914	6.6
229.15692	1.3
233.15408	3.0
289.21570	1.5
303.23141	2.4
371.33331	1.1
401.34195	2.6
411.36169	3.6
429.31931	8.8
429.37271	58.7
430.37897	5.9
436.22308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05494	1.9
57.07079	16.1
67.05510	4.5
69.07072	3.8
71.08282	0.8
71.08637	10.7
71.30465	0.7
78.01584	0.5
79.05477	2.4
81.07063	5.9
83.04958	0.7
83.08614	2.3
85.10184	5.2
91.05477	2.3
93.07053	2.5
95.08597	6.0
96.04237	0.5
97.10154	2.2
105.07024	2.0
106.65951	0.6
107.08578	5.6
109.10162	5.3
111.04437	0.8
111.11686	1.1
117.06980	0.9
119.08583	3.5
121.06496	0.6
121.10122	3.4
122.07252	0.8
123.08066	0.5
123.11697	0.9
123.66901	0.5
126.83504	0.5
129.07008	0.5
131.08589	1.7
133.10185	0.7
135.08060	4.6
135.11696	2.7
136.59921	0.5
137.09639	8.3
139.07513	1.7
144.09351	0.8
145.10135	1.8
149.09628	13.9
149.13228	0.7
151.07570	1.0
159.08055	0.7
159.11714	2.1
160.08861	0.6
161.09605	1.1
162.06772	0.7
163.11180	20.5
165.09117	100.0
167.54208	0.5
172.08913	0.7
173.09641	2.0
173.13249	1.7
175.07581	0.7
175.11176	5.8
176.08322	2.3
177.09111	10.6
177.12775	1.8
179.10693	1.5
186.10448	1.2
187.11177	1.9
189.09119	1.0
189.12750	1.9
190.09904	1.5
191.10667	10.1
191.14252	0.8
193.12239	0.7
200.11943	0.8
201.12749	2.8
203.10646	2.4
203.14284	0.6
204.11400	0.8
205.12248	10.3
205.13963	1.0
205.15686	0.6
215.14319	2.2
219.13811	6.1
229.15886	1.3
233.15392	2.8
247.17006	1.4
249.10406	0.6
261.18494	1.4
275.20074	2.0
289.21729	1.5
303.23270	2.0
317.24817	1.4
331.26306	0.9
345.27792	0.7
359.29575	0.9
373.30939	1.5
401.34198	3.4
411.36453	4.0
429.32437	2.7
429.37274	64.6
430.37640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80102	0.6
53.03939	1.5
55.01864	1.2
55.05512	3.2
56.05045	4.9
57.03436	3.6
57.33602	0.5
59.42013	0.7
60.04523	1.6
61.02924	4.0
62.66025	0.6
62.89127	0.6
65.03939	0.9
67.05499	5.7
67.77657	0.6
69.03429	4.5
69.07065	1.7
69.29704	5.8
70.06586	4.9
71.01365	0.8
71.05002	1.3
72.08130	1.2
73.02908	2.4
79.05484	6.2
81.03414	14.3
81.03858	1.1
81.07066	6.4
82.06584	1.8
83.04975	2.5
83.08620	2.7
84.08144	79.2
85.02905	5.9
85.08498	0.8
86.09707	3.5
91.03950	2.0
91.05480	5.4
93.07046	4.7
94.06607	0.9
95.01315	0.9
95.04971	13.7
95.08607	3.3
96.08134	4.5
97.02898	5.9
97.06547	0.7
97.08923	1.7
97.10171	1.3
98.09693	4.7
98.97578	0.7
99.04459	1.0
101.02412	0.8
103.03950	1.6
104.60782	0.6
105.07043	3.7
107.04976	3.3
107.08606	3.0
108.08130	0.8
109.02888	3.3
109.06538	1.7
109.10175	0.9
110.09686	5.7
111.04444	1.5
111.08080	1.8
114.09178	2.4
117.07007	2.2
119.04932	0.7
119.08595	3.2
121.06525	3.1
121.10149	2.5
122.09605	1.0
123.04436	7.8
123.08133	0.8
123.10407	1.4
124.11237	5.3
125.09693	0.7
127.03908	2.7
129.06990	2.0
131.04958	0.8
131.08604	3.2
133.06514	1.1
133.10136	1.7
135.08116	0.6
135.11690	1.7
136.11156	1.5
137.05951	1.2
142.12193	0.6
143.08546	1.2
145.10141	3.4
147.04422	2.7
147.08018	1.5
147.11676	2.7
149.05994	0.9
149.09634	0.8
153.09140	1.0
154.12199	0.6
157.10103	1.7
161.06001	1.1
161.09625	1.1
163.11189	3.7
165.12770	1.0
171.11678	1.0
173.09676	1.0
175.11227	2.5
177.05492	0.8
184.13312	0.8
189.05452	1.4
189.12773	1.8
191.04922	0.7
191.10710	1.1
193.12265	5.2
204.17468	2.1
205.12311	1.1
207.13805	1.1
211.13274	3.4
212.12784	1.1
217.12270	1.8
221.20123	2.4
223.13260	0.7
229.15421	1.0
235.13274	11.2
247.13342	0.9
249.14851	1.2
251.21104	0.9
253.14235	0.8
255.13918	0.8
259.13315	3.0
261.19614	1.4
267.15881	3.9
270.60187	0.8
273.14886	3.0
277.14462	2.0
281.18710	0.7
289.14355	1.3
291.15909	0.7
291.20605	3.4
301.14386	6.1
309.17065	5.6
309.21729	56.9
319.15396	1.2
327.22754	4.6
332.24243	0.6
337.16544	0.9
351.18466	1.0
351.22757	15.4
351.26959	0.8
369.23801	9.2
369.27777	1.2
375.18063	4.0
377.19263	0.7
387.24915	2.4
393.18832	3.4
411.19971	2.1
411.25027	3.7
429.21234	7.0
429.25986	100.0
430.26456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01845	3.4
55.05500	8.6
56.05028	4.6
57.03434	8.2
60.04525	1.7
61.02916	8.7
63.04408	1.3
67.05507	12.9
69.03430	7.7
69.07063	2.2
69.64095	2.4
69.64507	5.9
70.06579	5.3
71.01351	2.8
71.05001	2.6
72.08138	2.6
73.02898	4.5
76.53489	1.4
79.05506	14.0
80.12389	1.4
81.03419	37.5
81.07064	15.4
82.06562	2.3
83.04982	5.4
83.08611	5.7
84.08145	86.7
85.02905	12.6
86.09705	4.3
91.03934	5.0
91.05473	12.0
93.07033	9.9
95.01285	1.5
95.04971	32.0
95.08604	7.6
96.08122	3.4
96.39582	1.3
97.02892	16.4
97.06523	2.7
97.10172	1.8
98.09681	4.5
98.97578	2.9
99.04449	3.2
103.03937	4.3
103.05431	1.8
105.07037	10.4
107.04938	6.7
107.08567	8.1
109.02880	7.8
109.06517	3.8
109.10126	2.2
110.09676	3.7
111.04471	2.0
111.08103	1.8
114.09184	2.5
115.05494	1.8
116.07121	1.5
117.07017	4.8
119.04904	2.7
119.08567	6.5
121.06506	7.1
121.10140	4.9
122.09651	1.7
123.04433	16.1
123.08031	1.9
124.11219	5.1
125.09620	2.3
127.03915	4.8
129.06992	5.6
131.04904	3.9
131.08534	5.7
133.06485	2.4
133.10133	4.3
135.08041	3.1
135.11678	3.9
137.05998	2.8
137.09540	2.4
143.08537	2.4
145.06477	2.8
145.10107	6.6
147.04396	8.1
147.08044	4.5
147.11696	6.8
149.05969	1.9
157.10097	3.5
161.05959	3.0
163.11188	9.8
171.11612	2.8
173.09612	1.7
173.12839	2.0
175.11192	2.9
187.11296	1.9
189.05394	2.2
189.12779	3.6
191.10634	2.5
193.12257	11.7
205.12228	1.9
207.13872	4.4
209.11755	1.6
211.13257	11.3
217.12282	2.2
219.01576	1.6
221.20132	3.4
228.13800	4.1
235.13251	27.4
237.14410	8.8
246.14925	42.4
246.64990	7.8
249.14871	2.3
253.14342	2.8
259.13388	8.0
267.15952	7.4
273.14862	10.8
277.14386	3.9
283.13309	2.1
285.17050	2.2
291.20618	3.7
301.14481	8.8
309.16968	16.5
309.21695	53.9
319.15363	1.7
324.93182	1.8
327.22705	5.7
327.26334	2.4
351.18311	2.1
351.22784	17.8
369.23718	9.0
369.27692	2.1
375.17993	8.7
387.24905	2.0
393.19104	5.2
411.19986	5.3
411.24951	4.3
429.21005	12.2
429.25940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.36838	2.1
53.03945	7.6
55.01878	13.0
55.05520	18.2
57.03436	27.1
61.02931	42.5
62.27642	2.6
65.03924	2.7
67.05506	32.0
69.03435	25.7
69.07061	7.5
70.06601	2.7
71.00783	2.9
71.01069	2.4
71.01357	7.2
71.04993	8.7
73.02917	17.2
79.05491	38.5
80.82559	2.7
81.03419	100.0
81.07053	26.3
83.04968	10.8
83.08625	17.9
84.08134	2.4
84.92311	2.5
85.02905	46.3
85.83817	2.9
86.09707	6.5
87.04464	3.0
87.10123	2.2
91.03954	20.2
91.05481	29.8
93.07058	22.4
95.01330	5.0
95.04971	85.7
95.08585	13.1
97.02907	36.3
97.06553	3.1
97.10188	6.9
99.04472	7.5
101.02394	6.2
103.03963	14.0
105.07049	25.3
107.04958	27.8
107.08603	16.1
109.02884	21.9
109.06514	9.7
109.10171	7.8
111.04449	7.4
111.08064	7.5
115.03957	3.1
117.07026	13.6
119.04960	4.5
119.08586	20.4
120.08151	2.7
121.02884	3.0
121.06535	13.6
121.10152	11.3
123.03575	3.7
123.04443	48.7
123.08074	4.0
125.09618	4.5
127.03936	14.9
129.07027	13.1
131.04976	5.4
131.08575	16.4
133.06476	8.9
133.10147	8.6
135.04388	3.4
135.08046	7.6
135.11705	4.6
137.05981	4.6
137.09665	2.5
143.08617	6.5
145.04990	3.5
145.06471	6.3
145.10141	12.5
147.04428	17.2
147.08009	6.6
147.11673	9.1
149.06021	5.3
149.09619	6.8
153.09123	4.2
157.10112	11.3
161.06033	5.4
161.09641	3.2
163.11200	22.1
163.42372	2.7
168.37021	2.2
171.11774	3.8
173.05746	2.4
173.09662	3.3
175.11203	9.3
187.11203	4.8
189.05516	7.4
189.12767	9.3
191.10654	4.7
193.12242	36.9
199.11266	3.6
205.12260	7.1
207.13811	8.3
211.13322	20.1
214.21759	2.4
217.12257	5.5
223.02292	2.7
223.13383	4.5
229.12300	2.6
231.13719	3.4
235.13300	75.7
239.34306	2.8
249.14786	13.2
253.14348	7.4
255.13684	2.8
259.13339	16.8
261.14914	2.8
267.15903	46.1
273.14886	31.9
277.14334	6.3
283.13293	2.8
285.16980	3.9
289.14346	6.1
301.14423	31.4
309.16962	47.0
319.15405	11.4
337.16617	4.0
345.17075	3.4
351.18011	6.3
359.20090	2.3
375.18024	33.5
393.19052	19.3
411.19940	15.4
429.21439	35.5
429.26358	3.2
429.30124	3.1
441.70065	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.71713	1.4
53.03947	8.7
55.01870	3.7
55.05515	12.2
56.96563	1.8
57.03436	16.2
61.02907	3.8
61.85209	1.6
65.03921	2.4
67.05507	17.5
67.05842	2.5
69.03076	2.3
69.03430	29.2
69.07054	6.4
71.04992	7.9
71.56616	2.4
73.02908	5.7
78.82977	1.3
79.05492	19.3
81.03419	82.2
81.07055	21.1
83.04977	19.4
83.08615	22.1
85.02905	20.9
85.06523	2.2
87.04483	2.6
91.03938	1.8
91.05470	19.3
93.07047	10.7
95.04965	25.2
95.08619	10.2
97.02290	2.4
97.02892	44.0
97.06499	4.0
97.10174	5.2
99.04440	6.1
101.02386	2.8
101.73523	1.4
103.03894	3.6
105.07035	18.4
107.04948	6.4
107.08588	7.0
109.02898	12.7
109.06530	4.9
109.10143	5.0
111.04450	8.8
111.08092	9.9
113.06022	2.5
117.07020	3.5
119.04934	1.9
119.08583	13.0
121.06489	4.0
121.10119	6.7
123.04469	3.5
123.08070	3.4
125.09625	4.0
127.03929	14.3
129.05469	5.4
129.07024	7.2
131.07722	1.5
131.08589	9.6
133.06470	2.3
133.10147	8.4
135.08049	2.3
135.11705	2.0
145.10127	1.7
147.04324	1.5
147.08075	4.6
147.11670	13.3
149.02353	2.4
149.09666	4.8
157.10121	11.0
159.11665	2.7
161.03059	2.0
161.13281	1.8
163.11153	4.0
165.12823	3.7
171.11746	2.2
175.11131	13.5
181.12201	2.3
183.06564	3.6
189.12779	2.9
191.10638	3.7
193.12244	55.0
211.13289	100.0
227.12730	6.3
229.14313	4.3
235.13232	4.2
249.14861	7.4
258.14746	2.1
264.36038	1.5
267.15643	6.4
273.14911	1.7
285.16931	19.3
301.14285	2.4
309.17038	3.6
313.16534	1.7
337.16422	3.9
339.17535	2.5
348.17798	5.4
355.17484	4.5
355.85114	1.7
366.23077	2.0
369.19296	1.6
393.19046	4.2
411.20010	5.0
429.12024	2.8
429.21204	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
53.03936	10.0
55.01867	5.2
55.05521	17.0
56.16551	1.8
56.96569	2.0
57.03445	15.4
61.02924	2.4
61.30943	1.8
67.05502	22.2
69.03432	29.5
69.07066	5.8
69.58327	12.4
71.04984	7.3
73.02912	4.9
79.05502	20.2
81.03423	100.0
81.07059	17.3
83.04983	22.6
83.08619	25.6
85.02911	22.9
87.04482	2.9
91.05486	20.5
93.07056	15.9
95.04967	28.2
95.08601	7.2
97.02901	52.9
97.06544	4.3
97.10184	5.3
98.97585	2.8
99.04455	7.7
101.02363	3.8
105.07040	16.4
107.04958	5.2
107.08610	6.3
109.02886	14.3
109.06512	5.0
109.10144	5.0
111.04435	9.3
111.08089	8.9
113.05970	2.4
117.06992	3.5
119.08591	13.4
121.06541	2.5
121.10149	7.0
125.09623	2.3
127.03922	13.1
129.05515	4.7
129.07016	8.4
131.08534	10.8
133.06509	3.5
133.10126	7.8
135.11745	3.3
136.65520	1.9
137.06007	2.4
145.10147	3.5
147.08008	4.4
147.11696	14.1
149.02336	2.2
149.09630	6.5
157.10153	11.9
163.11240	2.1
165.12743	4.6
175.11223	17.0
177.20131	1.9
183.06577	3.6
189.11191	2.4
191.10724	4.5
193.12251	64.8
209.11728	2.3
211.13297	100.0
227.12782	5.3
229.14348	4.9
235.13144	2.8
249.14955	7.9
267.15997	5.2
285.16962	20.3
320.98010	2.3
337.16214	3.0
355.17542	4.1
393.19119	3.7
411.20172	6.4
429.11990	4.5
429.21234	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37658	0.7
55.05511	13.3
56.05036	3.5
57.07075	14.6
58.06594	2.9
60.04530	20.5
65.58947	0.7
65.68877	0.7
67.05515	5.1
68.05027	1.3
69.07056	2.0
70.89671	0.7
71.57211	1.0
72.04518	1.9
74.06084	15.1
79.05500	2.2
81.07065	4.7
83.08614	3.8
86.06068	4.7
87.08111	52.4
88.07632	18.4
91.05489	1.5
93.07054	2.9
94.06578	1.0
95.08612	4.3
97.10162	0.9
105.07044	1.2
108.08181	0.9
109.10153	1.3
119.08550	0.7
121.10229	0.9
134.90897	0.7
138.09192	0.9
141.22305	0.8
142.12296	7.9
144.10234	1.0
174.14908	12.4
199.54607	0.7
280.26385	2.3
298.27478	4.4
306.28067	1.0
324.29037	4.4
342.30051	8.1
369.06943	0.7
396.34689	14.5
410.37000	1.0
421.76526	0.7
428.37448	100.0
429.37970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05270	1.3
55.05512	17.1
56.05025	3.0
57.07078	18.2
57.59883	0.9
58.06583	3.6
60.04528	34.6
63.30280	0.8
65.09721	0.8
67.05508	7.0
68.05033	1.9
69.07055	3.5
69.56674	7.4
72.04497	2.2
72.08109	1.1
74.06078	17.1
79.05475	3.0
81.07059	8.6
82.06569	2.4
83.08589	4.4
86.06071	4.9
87.08106	66.5
88.07629	22.1
91.05492	2.1
93.07043	5.2
94.06561	1.6
95.04958	2.8
95.08624	5.3
96.08110	1.1
97.10145	1.5
98.09631	1.3
101.09640	2.0
108.08109	1.4
109.10128	3.2
119.08604	1.5
120.08101	2.0
121.06465	1.3
133.10126	1.3
138.09137	8.5
139.07527	1.5
142.12268	9.0
152.00482	1.0
156.10187	3.8
174.11205	1.5
174.14886	14.2
177.14972	1.0
262.25717	1.5
280.26398	2.9
288.77921	1.2
298.27356	4.6
316.92145	1.2
324.29077	4.8
342.30106	7.9
396.34686	18.9
410.32474	6.2
428.37701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89714	4.5
51.05981	4.2
55.01859	5.0
55.05521	7.3
56.96549	7.6
57.03445	20.0
59.05012	9.5
61.02924	12.2
67.05514	7.4
69.03438	22.2
70.06599	39.0
70.91217	13.2
72.08140	7.1
73.02892	5.8
75.04504	7.3
79.05486	6.6
79.92819	4.2
81.03425	6.8
83.04992	31.3
84.08172	7.1
85.02906	58.3
91.05462	6.9
93.07045	6.8
95.04989	5.9
97.02898	17.5
97.06532	16.6
98.97595	10.2
101.06004	8.8
109.02863	4.9
111.04455	60.6
115.03918	5.2
116.98634	5.9
119.01644	5.2
119.04966	31.7
121.06492	4.8
125.06022	34.9
127.03933	13.4
129.05505	25.2
136.06145	12.9
143.07053	36.7
145.04980	15.4
147.04413	15.6
149.06006	14.6
157.08762	4.9
159.06566	14.5
163.03815	6.4
167.07036	44.4
185.08119	40.4
199.09662	35.1
217.10735	100.0
228.03903	4.7
249.13344	34.0
291.21588	5.0
365.04984	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27386	0.5
53.03944	1.6
53.12606	0.5
55.01867	0.7
55.05519	5.6
56.05058	2.7
56.05277	0.6
57.03433	0.7
57.07070	1.8
58.02967	0.7
59.03313	0.6
60.04530	57.3
65.03933	0.9
67.04239	1.1
67.05512	9.8
69.07073	6.2
70.06590	1.2
70.61576	1.7
71.04984	0.7
71.08625	1.0
72.04510	1.7
79.05122	0.6
79.05501	6.6
80.05011	0.6
81.07058	8.2
82.06582	12.8
83.04968	1.6
83.08642	5.0
85.02880	0.5
85.06536	1.3
90.05562	0.8
91.05495	4.1
93.07053	11.6
94.06571	14.2
95.04972	11.8
95.07350	0.7
95.08615	7.0
96.08128	3.0
97.06536	2.8
97.10175	1.8
98.09695	3.9
103.05481	2.5
108.08187	2.5
108.08795	0.5
109.06531	1.5
110.06080	2.5
110.08994	0.9
110.09689	9.8
111.08090	3.2
112.07610	1.7
113.00038	5.3
120.08124	5.7
121.06512	4.2
121.10153	1.1
126.09164	8.7
128.10739	0.8
138.09148	39.9
139.07568	5.5
141.62549	0.6
144.10222	0.5
156.10210	21.6
158.81905	0.5
169.02612	6.2
172.54654	0.6
174.11276	7.3
222.50723	0.6
261.22195	1.5
266.24780	1.7
272.25925	1.8
314.27014	1.2
331.44455	0.5
333.89240	0.5
374.30634	0.9
392.31656	1.5
410.32660	26.8
428.33734	100.0
429.25098	0.6
429.34100	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2045
Annotation	CHEBI:91220
Peak:m/z	Relative Intensity
53.03918	1.3
55.01867	2.8
55.05504	10.3
57.03431	5.9
57.07059	4.0
59.45052	1.5
60.04863	1.6
62.06092	27.2
67.05226	1.4
67.05509	13.5
69.03423	2.4
69.07068	15.9
70.06596	2.9
70.46443	3.5
71.04997	2.5
71.08644	2.7
79.05480	6.1
81.03428	3.3
81.07056	19.0
83.08621	18.0
84.08138	2.5
85.02911	2.6
85.06548	3.4
86.09659	1.5
87.04462	4.1
89.72797	1.4
91.05484	3.9
93.07047	15.8
95.04943	2.2
95.08604	9.0
97.02873	2.4
97.06538	9.5
97.10198	2.9
98.06066	2.6
98.98468	5.7
105.07029	4.7
107.08591	8.7
109.10125	4.3
110.09743	1.3
111.08099	8.7
119.08585	3.0
121.06501	1.9
121.10147	6.5
123.11717	2.7
124.01638	2.2
125.09627	3.2
131.04932	2.8
131.08598	1.7
133.10097	2.2
135.11713	1.7
142.02638	2.4
147.04440	2.4
148.04846	2.1
149.13260	25.1
155.01021	6.2
159.11716	4.2
163.03816	2.3
163.07497	2.3
166.15907	2.2
167.14343	13.3
173.02069	1.6
177.12772	2.7
195.13789	4.7
198.05276	1.8
216.06314	3.5
231.15906	19.8
238.18063	10.6
256.19110	5.8
266.04919	1.7
269.17474	57.7
287.18521	100.0
288.18823	2.0
312.21631	6.0
324.10193	2.3
327.26291	2.1
349.14102	50.9
367.15271	8.2
385.16367	1.9
392.18256	3.6
410.19363	15.7
410.26801	2.2
428.15097	2.2
428.20435	13.9
428.26404	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	427.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70310	0.3
55.05518	1.8
56.05037	2.8
56.96553	0.4
57.03439	0.7
60.04543	1.7
67.05497	1.4
68.05019	0.3
69.03432	1.4
69.07063	0.7
70.06593	5.5
71.04990	0.4
71.56755	0.5
72.08147	1.5
72.08939	0.4
73.02908	0.8
75.67939	0.3
79.05496	1.3
80.05010	0.6
81.03417	0.8
81.07064	1.8
82.06558	0.7
83.05009	0.4
83.08631	1.0
84.04511	1.4
84.08147	100.0
84.17148	0.4
85.02916	1.9
85.08476	0.5
86.09706	1.7
91.05487	1.1
93.07041	1.1
94.06590	1.6
95.04967	0.9
95.06091	1.7
95.08633	0.6
96.06482	0.4
96.08193	0.5
97.02895	1.4
97.10175	0.6
98.06036	0.8
98.97594	1.4
105.07034	1.9
106.06588	0.4
107.08609	0.9
109.06509	1.0
109.10110	0.4
110.09703	0.4
110.97550	0.5
111.04410	0.4
113.07184	0.5
114.05510	0.8
115.11229	0.7
116.07102	0.6
117.06993	0.7
118.06626	0.4
119.08603	0.9
120.08099	0.5
121.06480	0.8
121.10157	0.6
122.06001	0.4
126.09160	26.3
127.03941	0.7
128.45580	0.3
129.10252	1.0
131.08578	0.6
132.04430	0.4
133.10158	1.6
133.12299	0.4
135.08051	0.4
135.11760	0.5
136.07576	0.8
136.11200	0.5
137.07950	0.5
147.11693	0.4
148.11206	0.7
150.07751	10.0
161.09663	1.6
162.12776	0.8
163.11232	0.4
179.03384	0.8
179.10715	0.5
190.12311	0.5
213.12492	0.4
219.01801	0.6
237.02829	0.8
240.07510	0.6
247.16951	0.7
260.18509	0.7
269.41284	0.3
271.60120	0.4
284.18600	0.6
289.22763	0.4
293.22058	0.6
295.11581	2.8
302.19565	0.9
311.23236	0.9
324.19992	0.7
326.23425	0.7
349.24725	0.7
367.26019	2.7
383.27151	1.9
385.26965	5.1
405.10162	0.4
409.27087	6.0
427.19565	17.9
427.28046	72.0
428.19461	0.6
428.28299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
56.05024	1.8
56.12914	0.4
56.27854	0.5
60.04528	3.6
67.05505	1.4
68.05060	0.6
69.03433	0.8
69.07091	1.2
70.06581	1.8
70.80701	1.2
72.04517	2.0
72.08155	4.5
79.05497	1.5
80.05007	1.0
81.03442	0.5
81.07059	1.3
82.06594	1.2
83.04975	0.5
84.04507	7.9
84.08150	21.7
85.02921	0.9
86.09716	10.4
87.10052	1.0
87.30275	0.5
90.05562	2.2
91.05479	1.9
91.87846	0.6
93.07042	1.1
94.06578	1.6
95.08608	0.8
96.04501	1.8
96.08153	1.5
96.40618	0.6
97.08932	6.9
98.06046	0.6
98.09719	1.5
98.97591	0.8
104.10760	0.9
105.07048	1.5
107.08606	0.7
108.08144	0.8
108.47385	0.5
110.06059	0.5
110.07178	4.9
110.09683	9.6
114.05510	2.7
116.07135	0.6
119.08580	0.9
120.08120	1.0
122.07141	0.7
122.09666	0.9
124.11274	1.7
126.05533	1.5
129.07010	1.3
130.97171	0.5
132.06548	0.8
134.09680	0.7
136.11230	2.3
137.05989	1.1
138.05547	0.7
138.12816	0.8
140.07094	0.9
145.10199	0.9
146.30887	0.6
147.04407	1.9
148.11278	0.6
150.12796	1.6
152.14366	0.8
157.10132	0.7
162.12749	0.9
163.07590	0.7
164.14355	2.9
167.09297	1.0
168.79356	0.5
172.28426	0.5
174.12770	1.5
176.14359	0.9
178.15979	2.5
184.07314	1.0
185.16446	2.9
186.16869	1.0
190.15950	1.5
192.17534	2.3
194.18997	1.2
195.08783	0.9
208.17091	0.5
210.18581	3.7
213.16037	1.6
214.16154	0.5
218.19153	0.8
220.20711	0.5
236.20103	4.8
248.20160	3.3
251.99994	0.6
254.19040	1.3
259.21661	3.9
261.23416	1.1
264.19629	1.0
271.21722	1.8
272.20135	3.0
277.22836	4.2
278.21210	3.0
289.22745	7.5
290.21152	2.7
301.22839	2.1
306.15250	0.9
307.23923	1.0
312.49536	0.6
315.46942	0.6
319.23914	1.5
327.26874	0.7
331.23730	3.6
349.24860	2.7
367.25970	7.5
385.26981	0.7
391.25858	2.8
409.27011	22.7
427.28076	100.0
428.20309	0.6
428.28323	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	427.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
54.18962	0.3
55.05506	0.7
56.96576	0.3
57.03437	0.5
57.08318	0.4
67.05512	1.6
69.03430	0.3
69.07060	0.4
69.56333	2.4
70.06590	0.6
72.08154	0.6
79.05484	1.1
81.03414	0.9
81.07050	1.5
82.07376	0.4
84.08142	0.5
85.02876	0.5
91.05470	1.0
93.07042	0.9
95.04965	0.6
95.08626	1.2
97.02924	0.4
97.06541	1.0
98.21466	0.7
98.97598	0.4
105.07037	0.7
106.07307	0.4
107.08613	0.8
109.10166	1.0
117.62254	0.3
119.08569	0.6
125.09663	0.3
126.83674	0.3
145.10147	0.3
147.11717	0.7
181.14185	0.4
226.14330	0.4
254.17599	0.3
274.39603	0.4
328.34875	0.3
347.47748	0.4
409.18573	0.8
427.26700	100.0
428.27002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00733	0.3
55.05497	1.8
56.05022	1.1
56.96576	0.5
57.03439	0.5
60.04514	0.8
67.05494	1.1
69.03417	0.9
70.06600	2.9
71.56834	0.5
72.08147	0.4
73.02880	0.5
81.03394	0.8
81.07042	0.9
82.06553	0.4
84.04483	1.1
84.08148	37.1
85.02895	1.4
86.09705	0.8
91.05476	0.9
93.07025	0.6
94.04066	0.5
94.06576	0.7
95.04961	0.5
95.06057	0.7
95.08553	0.4
97.02909	1.0
97.10172	2.1
98.97585	0.6
105.07023	1.1
107.05025	0.4
107.08584	0.5
110.09689	0.5
115.11202	1.7
119.08543	0.8
120.08006	0.4
123.06641	0.4
126.09168	9.5
127.03962	0.6
133.10089	1.3
133.12248	0.5
150.07761	45.5
158.99611	0.5
161.09615	1.0
179.03371	0.8
181.91884	0.4
236.19972	0.4
265.07501	0.5
265.12732	0.5
283.04507	0.5
295.11514	12.3
301.05786	0.5
307.08432	0.8
324.19922	0.5
367.25937	1.9
367.32544	0.5
383.27350	1.1
385.26822	2.1
406.91104	0.4
409.27151	3.4
427.19315	100.0
427.28015	29.5
428.19601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01864	2.4
55.02110	0.6
55.05508	8.2
55.52698	0.5
56.96567	1.5
57.03437	2.0
59.05009	4.3
61.02939	2.2
66.75639	0.7
67.05521	0.9
68.99781	1.0
69.03436	9.8
70.06591	6.5
71.04990	1.3
71.56689	1.1
71.57079	0.7
72.08144	1.3
73.02911	1.5
73.06548	0.9
79.05501	0.9
81.03429	4.5
81.07076	0.9
84.04520	0.7
84.08149	14.3
85.02911	18.7
86.09703	1.3
87.00837	5.2
87.04473	30.8
89.06036	51.9
91.03968	1.1
91.05484	2.1
97.02886	7.9
98.97596	4.3
99.04462	2.2
103.05460	1.0
105.01868	2.0
105.07044	1.9
107.07072	90.6
109.02864	4.1
110.07205	0.7
110.97600	0.7
116.07127	0.9
116.98643	1.4
117.01854	0.8
119.07060	15.9
119.07874	1.0
120.08111	0.9
126.09161	2.7
127.03923	7.7
128.98604	0.7
129.10248	0.8
131.04951	1.8
133.10132	1.7
133.86391	0.6
136.07611	0.9
143.00137	0.8
145.02841	0.7
145.04959	4.1
147.04424	1.6
158.99670	1.3
159.02898	1.5
161.01248	0.6
161.09621	2.2
161.11740	19.3
177.00710	1.0
177.05499	1.3
179.03400	1.5
179.12793	100.0
189.00685	0.7
201.00644	1.1
210.02011	0.6
213.12459	0.9
219.01749	2.0
231.04893	0.7
237.02861	2.2
239.02303	0.9
245.05202	1.0
250.47119	0.6
251.06854	1.3
251.57014	0.9
264.05719	2.3
265.13336	1.8
273.06369	1.8
306.15253	0.8
361.47119	0.7
365.05450	1.2
367.26093	0.9
407.06247	1.0
409.26987	0.8
414.75888	0.6
427.09839	0.7
427.19574	6.2
427.28101	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	426.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38819	0.7
55.01820	1.2
55.05443	5.9
56.04966	2.1
56.05212	0.7
56.96497	1.8
59.04957	0.7
64.35712	0.7
67.05425	14.8
69.03352	5.4
69.06992	4.4
70.02879	2.4
70.06513	8.9
71.04918	0.8
71.57188	0.9
74.02393	0.7
79.05409	5.1
80.04928	0.9
81.03349	1.3
81.06972	7.0
81.19185	0.9
82.06517	1.0
83.04917	1.3
83.08610	4.4
84.04449	1.4
84.08095	1.5
86.06070	18.4
86.06532	1.2
87.04469	18.6
88.07549	1.1
91.05485	8.6
93.07049	6.7
94.06532	0.8
95.04888	2.3
95.08604	6.5
96.08080	1.7
97.06464	1.1
97.10183	4.6
98.06058	21.5
104.07048	1.0
105.07043	3.4
107.08601	3.6
108.08073	1.0
109.10162	8.5
111.08043	1.4
112.07613	7.6
114.05480	0.9
116.07111	3.5
117.06928	1.1
119.08593	16.0
120.08083	0.7
121.10093	1.7
123.07964	1.7
124.07591	10.2
125.09634	4.3
126.05434	3.1
130.08574	2.4
131.08524	1.0
133.10077	1.4
135.07930	1.1
137.09618	38.7
138.05464	1.6
140.10649	1.0
147.11642	1.4
151.97319	0.7
154.12250	4.6
156.06468	1.2
156.10126	2.4
158.08017	0.9
165.12781	0.7
173.11588	1.0
174.11253	3.5
184.13345	4.5
186.14803	2.9
193.12238	3.7
194.15248	0.7
203.12630	1.3
204.13780	2.7
222.14894	12.5
224.16463	0.8
225.14850	5.9
226.14380	16.1
226.17838	0.8
229.14288	1.3
255.09045	1.0
256.09189	1.0
272.18573	100.0
273.18704	1.1
275.20135	1.9
305.21188	1.0
312.21738	1.3
314.19733	6.5
327.11719	0.9
328.21240	1.5
408.27194	3.9
426.28659	37.7
427.28943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.6
55.05507	3.3
56.96556	0.8
57.03437	4.2
57.07058	0.9
59.04991	2.5
61.02918	1.5
65.03960	0.7
67.05505	36.8
69.03415	1.6
69.07058	1.7
70.06583	1.8
70.69141	1.1
70.69496	1.7
71.04978	1.4
72.08157	1.1
73.02917	1.6
75.09223	0.6
76.49005	0.6
79.05499	0.7
81.03408	1.1
81.07056	3.9
83.04945	0.8
83.08616	3.8
84.08146	19.0
85.02908	5.4
85.06499	1.1
86.09697	1.5
87.04469	0.7
91.03916	0.8
91.05486	3.4
93.07033	1.9
95.08603	3.2
97.02888	1.9
97.10169	0.6
98.97581	1.0
102.10111	0.6
102.61678	0.7
103.03944	1.5
107.08585	1.5
109.10156	46.4
111.08086	1.3
111.42965	0.6
119.08559	3.3
122.01169	0.7
125.09628	0.9
126.09154	4.9
127.03837	0.7
127.40750	0.6
133.95709	0.6
137.09608	2.4
143.10669	2.0
145.04924	0.7
155.10670	9.8
173.11743	20.5
173.13181	1.4
196.66006	0.7
199.07283	0.6
229.14351	100.0
230.14790	1.8
247.15416	2.4
336.18909	0.7
377.98386	0.7
391.19736	1.4
409.27094	0.9
426.25394	1.1
427.28061	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.43243	3.8
55.05511	17.5
57.07055	5.9
61.67703	3.4
67.05502	24.0
69.07064	32.5
71.08596	4.4
71.30107	4.4
71.30434	6.7
79.05483	10.2
81.07057	62.1
83.08613	12.3
83.32303	4.2
87.39283	3.3
88.11271	6.8
89.06007	4.1
91.05466	14.2
91.76868	3.7
93.07051	29.7
95.08614	95.1
97.10152	8.1
105.07027	28.7
107.08599	50.7
109.09457	7.4
109.10152	79.8
111.08033	4.5
111.11710	10.8
119.08573	36.9
121.10149	48.3
123.11720	27.3
131.08456	7.5
133.10136	23.3
135.11713	24.6
137.13292	17.8
145.10118	10.7
147.11717	19.4
149.13249	20.1
159.11678	7.2
161.13235	15.6
163.14783	14.2
173.13246	8.8
175.14848	8.4
177.16379	11.2
179.14336	5.4
185.13269	4.7
187.14833	7.3
189.16371	20.9
191.17940	20.7
201.16306	9.3
201.29625	3.9
203.17903	15.1
205.19473	11.9
207.17474	8.0
215.17953	14.1
217.19507	12.6
219.21056	5.0
231.21114	8.4
245.22672	10.6
247.20546	11.6
271.24173	6.4
277.77335	3.8
407.37042	23.5
425.32474	6.2
425.37753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05513	13.3
57.07079	5.5
67.05512	28.5
69.07078	29.8
79.05480	12.1
81.07070	44.7
83.08611	11.8
86.09737	2.9
91.05507	7.9
93.07057	35.7
95.08619	100.0
97.10175	9.4
105.07034	30.4
107.08616	69.1
109.10172	81.0
111.08028	3.6
111.11741	6.1
119.08598	43.1
121.10163	49.5
123.11709	30.5
132.94112	2.8
133.10156	40.0
135.11707	53.8
137.13226	13.2
137.68529	2.7
145.10132	9.7
147.11697	29.1
149.13303	19.3
155.48135	2.9
157.10170	3.4
159.11707	11.5
161.13243	20.4
163.14879	20.3
173.13278	9.0
175.14850	20.3
177.16362	8.6
185.13255	3.1
187.14821	12.5
189.16402	51.0
191.18019	26.7
201.16420	7.5
203.17894	11.8
203.19739	2.8
205.19499	20.4
207.17455	52.8
213.16405	3.5
215.17987	10.0
217.19504	24.8
229.19432	8.0
231.21017	9.3
233.19026	4.0
243.21080	7.0
245.22672	42.1
257.22672	4.0
259.24292	4.7
269.22589	6.9
271.24249	7.8
285.25650	3.5
337.28970	3.1
403.17654	2.7
407.36755	49.8
410.91153	3.4
425.21713	5.7
425.32266	3.9
425.37836	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	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01866	6.5
55.05510	32.4
56.96558	3.2
57.03430	10.0
57.07067	13.1
59.05003	2.9
60.19890	2.9
61.02933	3.2
63.81644	2.9
67.05509	99.5
69.03432	28.8
69.07072	33.3
71.04971	6.6
71.08620	5.6
71.57209	4.8
73.02907	3.2
79.05496	43.7
81.03424	44.8
81.07063	100.0
83.04980	12.4
83.08614	25.1
85.02885	14.9
85.06512	5.8
91.05484	39.0
93.07044	57.5
95.04989	14.9
95.08614	79.2
97.02882	11.3
97.06517	11.5
97.10169	12.6
99.04450	10.3
99.05074	3.2
99.08079	6.2
105.07041	33.1
107.04967	4.6
107.08605	32.1
109.02856	3.3
109.06487	6.9
109.10168	31.9
111.04439	7.7
111.08084	6.9
117.05463	3.0
117.07030	21.6
118.00768	3.2
119.08567	33.7
121.06487	9.4
121.10148	22.3
123.04439	3.0
123.08044	7.9
123.11676	9.5
125.09619	4.5
127.03940	7.5
129.05446	3.1
129.07011	8.5
129.08740	2.8
131.08556	29.5
133.10133	20.1
135.08038	7.3
135.11673	17.2
137.09627	4.7
137.13219	6.5
143.08575	9.9
145.06432	5.7
145.10109	15.6
147.08051	5.1
147.11699	10.6
149.13254	9.7
151.14758	6.8
154.94208	4.0
155.08528	3.8
157.10117	8.9
159.11685	8.4
161.09576	4.9
161.13261	12.0
163.11148	3.2
163.14822	8.7
165.12625	4.6
169.10097	6.8
171.11670	9.1
173.13252	12.8
175.11111	4.2
175.14821	10.4
177.12746	4.6
177.16475	5.1
182.15468	5.0
183.11813	4.1
185.13261	4.0
187.14722	6.1
189.16391	3.9
193.15948	3.0
201.16362	3.3
207.13890	3.8
213.16266	4.0
217.15837	4.0
243.21046	3.7
245.22752	5.5
249.14520	3.3
255.21112	5.0
261.22052	8.1
263.23734	10.0
275.23773	6.0
279.23111	4.2
291.23135	7.2
293.24698	7.3
303.22754	4.3
305.24762	12.6
317.24670	7.5
321.24277	7.0
343.26416	5.4
347.25812	4.9
353.24835	7.0
371.25867	32.1
389.26901	21.5
407.28009	27.4
425.28085	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	425.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48550	1.4
55.05499	4.4
56.21252	1.4
57.03456	9.4
57.06828	2.3
57.07082	29.7
67.05496	6.1
69.07058	6.3
71.08632	20.1
81.07063	9.5
83.08621	7.0
85.10181	9.9
95.08619	12.1
97.10168	2.1
109.10170	5.4
113.00025	54.3
115.53873	1.6
123.11705	3.8
138.96368	1.5
169.02614	49.3
169.04063	2.4
187.03706	2.5
239.23611	2.9
244.71210	1.8
313.27377	100.0
394.18503	1.5
425.21277	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	425.1422
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
56.96584	0.6
67.38186	0.3
69.13583	0.4
69.91037	1.9
70.06587	0.6
84.08141	1.2
85.02924	0.4
86.84903	0.3
89.81974	0.3
91.05485	1.4
91.19488	0.3
98.97588	0.8
179.03831	0.9
197.04854	0.8
205.08658	0.7
213.00407	0.4
215.05804	0.5
237.02921	0.5
293.09833	0.8
299.12128	0.5
425.14233	100.0
426.14618	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	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72227	0.5
56.59362	0.5
56.96560	2.0
68.98310	0.7
69.03429	0.7
69.17999	0.5
70.85416	1.7
70.98119	1.3
70.99860	0.5
75.76807	0.5
82.99805	3.4
84.00649	0.6
84.08187	0.6
94.99847	0.9
97.02895	1.3
98.97578	4.5
101.00890	17.5
106.49129	0.5
110.97553	0.9
113.00869	4.4
116.98579	0.9
119.01935	14.6
127.02420	3.7
128.98596	1.5
131.01920	8.6
137.00896	0.7
137.02966	0.7
139.02376	1.9
143.01912	40.3
145.03490	8.2
147.01453	1.2
147.04413	1.5
153.04031	0.9
155.01915	14.6
157.03510	6.2
158.99664	1.3
161.02974	40.9
162.03052	0.6
163.04550	0.8
167.01921	12.7
169.03490	2.6
170.99751	0.6
171.05057	2.4
172.97577	1.2
173.02982	17.9
173.48277	0.6
175.04500	0.7
177.00781	0.6
179.01915	4.6
184.04536	0.8
185.02977	34.2
186.99210	0.6
187.04536	3.7
190.98582	0.6
191.04105	2.8
197.02974	11.6
203.04041	13.0
209.03036	1.7
215.04022	6.4
219.01753	1.0
221.05078	1.9
227.04050	8.0
232.99734	0.9
237.02864	2.2
239.04080	0.8
245.05099	100.0
245.45419	0.5
246.02898	0.6
246.05322	2.4
247.01221	0.8
257.05099	5.4
262.54962	0.7
263.06146	27.7
263.40817	0.6
275.06107	14.3
279.03821	1.2
281.01868	1.3
293.07288	2.4
305.01721	1.6
305.07193	11.1
305.10495	0.8
317.07190	1.1
323.02939	1.3
335.08188	3.7
365.09360	9.5
425.11432	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36666	0.5
63.66322	0.6
70.99835	0.8
71.41608	0.8
82.99816	2.9
87.64677	0.5
94.99936	0.5
97.02869	0.9
101.00890	18.4
113.00877	4.0
119.01928	15.6
127.02431	3.6
131.01895	6.2
133.03474	1.2
139.02379	1.3
143.01906	38.2
144.02005	0.9
145.03485	7.1
147.01366	0.9
153.03955	1.0
155.01897	14.8
157.03476	4.6
161.02968	35.8
167.01904	11.9
169.03442	3.7
171.05042	1.5
173.02968	16.8
175.04565	1.0
179.01909	5.6
181.03448	1.1
185.02971	29.7
187.04565	3.5
191.04012	3.0
197.02960	14.1
203.04034	14.3
209.03058	1.0
215.04042	6.3
221.05141	1.1
223.80229	0.7
227.04015	7.1
233.05034	1.1
239.04030	0.7
245.05086	100.0
246.05194	1.6
257.05054	5.0
263.06134	23.8
267.66675	0.6
275.06119	14.4
293.07156	3.3
305.07208	9.3
335.08313	3.6
365.09363	8.5
425.11545	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	424.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52823	0.7
55.01882	0.9
55.05513	6.4
56.05023	1.2
56.96552	1.1
57.03429	1.1
57.07067	2.3
65.91515	0.7
67.05499	7.0
68.05021	2.9
69.07072	11.3
69.89943	4.6
70.06595	9.3
72.08170	1.1
74.83785	0.8
76.57549	0.8
79.05486	7.6
81.03413	1.0
81.07059	14.7
82.06567	3.0
83.04974	1.5
83.08611	6.1
84.08143	3.5
85.02884	1.0
86.06071	10.9
91.05507	5.4
93.07038	12.1
94.06554	1.0
95.04971	8.7
95.08609	5.1
96.08134	11.3
97.06528	2.1
97.10166	1.2
98.06062	4.1
98.09724	2.1
98.21448	1.7
98.97585	0.8
99.04457	2.7
99.99187	0.9
100.07611	4.9
105.07032	8.8
105.18304	0.8
107.08589	10.8
108.08122	4.1
109.06530	1.9
109.10177	4.8
110.09694	6.7
111.08036	1.1
112.07655	1.2
114.05518	2.0
116.10705	5.7
117.07033	2.7
119.08585	7.5
120.08121	2.1
121.10143	6.0
122.09689	2.9
123.08097	1.1
123.11718	2.2
123.81043	0.9
124.07630	2.9
124.11238	3.2
126.09118	1.0
128.06261	1.3
128.07076	6.4
128.10727	0.8
129.06973	3.0
130.07813	1.6
131.08569	6.0
133.10106	2.8
134.09647	2.6
135.11700	1.4
136.11192	1.3
138.09128	1.4
142.07709	1.4
142.08647	13.6
143.08578	5.6
145.10123	11.6
146.09653	1.1
147.11713	1.1
148.11243	4.3
149.12178	0.9
149.13278	3.9
151.11197	3.3
152.10764	0.9
154.08653	7.5
154.12300	2.1
156.09317	1.7
157.10164	2.1
159.11723	1.9
162.12802	1.4
164.07094	1.3
166.08717	1.4
166.15923	20.7
168.10225	1.3
169.10167	1.6
169.12260	5.8
171.11688	3.7
173.13255	3.0
176.14323	2.0
183.11777	1.0
185.13336	1.2
187.14798	1.0
192.10245	2.4
194.11749	13.8
194.15427	3.3
199.14824	1.0
210.18575	2.2
212.16461	71.8
238.18021	46.5
255.80188	0.9
256.19080	100.0
257.17343	4.0
284.16467	0.8
286.18011	3.8
310.18060	0.9
314.21124	10.3
332.22131	1.7
345.24341	1.0
363.25330	2.9
388.20581	1.0
406.27176	14.1
424.30740	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2847
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03931	2.1
55.05518	4.9
56.05042	1.1
56.96552	2.0
57.07065	2.6
59.04975	1.0
65.03935	0.7
67.05509	7.4
68.05024	9.0
69.03415	1.3
69.07088	4.6
70.06596	22.6
71.05000	0.9
71.57360	1.2
77.03889	0.6
79.05495	11.1
80.05016	5.4
81.03426	1.0
81.06592	0.7
81.07067	11.8
82.06586	4.9
82.07381	0.9
83.08605	2.0
84.04480	0.9
84.08157	1.4
85.02893	0.9
85.06509	1.3
86.06107	0.7
87.91501	0.6
91.05484	13.4
93.07054	17.8
94.06550	1.5
95.04978	10.7
95.08604	6.0
96.08119	5.1
97.02860	1.1
97.06532	2.8
98.06060	1.4
98.97559	1.1
100.07626	15.7
103.05478	1.1
105.07037	27.6
107.08601	12.5
107.25078	0.7
108.08105	7.1
109.06554	1.2
109.10169	5.3
110.09663	1.1
111.08059	1.3
114.05519	7.2
114.09124	1.1
115.05454	2.5
115.69910	0.8
116.07112	3.5
117.07032	7.8
118.06498	0.7
119.08588	23.5
120.08128	4.1
121.10163	6.3
122.09671	3.0
123.08054	1.1
123.11698	0.9
125.09651	1.0
126.09138	2.0
127.03864	0.8
128.06204	2.9
128.07079	18.0
129.07016	5.7
130.07787	2.4
131.08572	16.8
132.08095	1.4
133.08934	1.5
133.10132	11.4
134.09653	3.3
135.08041	2.6
135.11707	3.9
136.11203	1.1
137.09575	1.0
140.07082	1.3
141.06975	2.0
142.07742	3.9
142.08644	8.5
143.07458	1.2
143.08549	11.2
144.09317	2.7
145.10124	22.4
146.09663	1.1
147.04402	0.8
147.07982	1.0
147.11687	3.6
148.11218	7.7
151.06340	0.8
153.07030	1.1
154.08644	29.4
155.08575	4.3
156.09375	4.1
157.08914	1.2
157.10132	10.1
158.09583	0.9
158.10896	2.2
159.11697	4.9
160.11218	1.5
161.09624	1.7
161.13251	1.1
162.12782	1.6
164.07091	2.8
166.08624	1.0
167.08614	1.6
168.10298	6.9
169.10139	5.3
170.10832	1.3
171.11717	8.2
172.11172	1.4
173.11935	1.4
173.13278	12.6
174.12772	3.7
175.14825	2.9
176.14375	0.8
178.08662	4.2
179.08475	1.2
180.10197	2.2
181.10118	2.5
183.11681	3.7
184.12531	1.2
185.13281	2.7
186.12770	2.2
187.14876	1.2
192.10262	4.1
193.10138	1.2
194.11809	20.4
195.11711	2.3
197.13249	1.5
199.14857	4.4
201.16460	1.5
206.11739	0.7
207.11798	1.2
209.13284	5.4
211.14799	1.4
216.10208	1.6
217.15903	2.5
218.11757	5.1
219.12561	2.2
220.13333	4.9
223.14810	1.1
225.16417	0.9
226.15930	0.8
230.11826	0.9
232.13356	1.7
234.14879	0.8
235.14841	1.9
248.16560	1.1
265.19443	1.5
270.14862	1.8
276.15988	0.9
283.20663	0.9
284.16449	2.2
286.18024	5.4
291.21048	0.9
302.17441	2.6
314.21158	13.2
332.22211	79.0
364.28494	3.0
380.28104	0.7
406.27408	21.2
424.16772	11.6
424.28467	100.0
425.28870	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	424.2846
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03945	1.4
55.05511	6.6
55.05724	1.2
56.05015	1.4
61.97186	1.2
64.06872	1.2
65.03934	2.8
66.09072	1.4
67.05500	8.7
68.05031	8.7
69.03424	1.6
69.07060	6.3
70.06594	24.0
70.61501	2.8
70.61869	2.3
71.04961	1.7
76.58553	1.4
79.05495	12.7
80.04988	4.2
80.57164	1.2
81.06645	1.5
81.07056	16.6
82.06561	2.3
83.08640	2.5
86.06035	3.0
87.38949	1.2
91.05066	1.3
91.05484	14.3
93.07050	15.4
94.06532	2.8
95.04965	20.2
95.08609	6.8
96.08121	6.5
97.06529	2.5
99.04456	1.8
100.07620	16.4
103.05431	2.6
105.06416	1.6
105.07040	28.5
106.44333	1.4
107.08599	13.7
108.08129	6.9
109.06519	1.8
109.10111	4.5
110.09662	2.4
114.05531	9.1
116.10728	1.7
117.07025	9.3
119.08578	26.6
120.08078	5.7
121.08824	1.5
121.10134	10.1
122.09649	3.0
123.08020	1.6
124.07572	2.1
124.11149	1.4
128.06195	3.5
128.07072	22.1
129.06993	7.1
130.07793	3.1
131.08554	15.4
132.45329	1.4
133.10092	8.8
134.09610	4.1
135.07990	1.3
135.11661	4.3
141.07028	1.5
142.07822	2.5
142.08615	10.6
143.08551	17.0
144.09283	3.0
145.10118	40.3
147.11685	2.7
148.11205	14.1
149.13208	1.8
151.11147	2.1
154.08632	28.9
155.08521	2.9
156.09322	4.8
157.10135	6.9
158.10809	2.0
159.11656	3.6
161.09598	1.5
162.12762	3.0
164.07039	4.5
166.12299	1.6
166.15910	6.6
167.08499	1.7
168.10178	4.6
169.10167	8.2
169.12297	1.8
171.11722	8.5
172.11154	2.3
173.13257	9.5
174.12740	3.3
178.08562	3.6
180.10196	2.4
181.10112	1.8
185.13171	1.6
186.12811	1.9
192.10139	5.5
194.11790	42.7
195.11723	2.1
199.14728	2.4
200.60263	1.2
209.13197	2.4
212.14424	1.9
212.16426	17.6
218.11739	4.9
220.13290	2.2
238.18004	11.3
240.17455	2.4
242.40685	1.5
256.19067	26.2
270.14908	3.2
277.21292	1.8
277.84393	1.4
284.16431	3.0
285.17166	1.5
286.17966	14.0
310.17999	3.9
314.21136	35.6
321.04813	1.7
326.20883	1.6
332.22168	18.6
406.27402	55.4
411.77917	1.4
424.28427	100.0
425.29025	2.0
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
54.94619	2.9
55.05510	10.7
57.07070	7.0
62.94849	3.4
65.12319	3.2
67.05504	17.6
69.07062	36.1
71.08632	4.0
71.30153	3.3
71.30511	3.6
79.05494	11.8
81.07069	43.5
83.08612	8.3
86.09708	6.2
91.05457	12.9
91.72147	3.4
93.07050	24.6
95.08609	54.9
97.06538	3.9
97.10174	6.4
105.07018	23.7
107.08606	42.4
109.06515	13.9
109.09467	4.1
109.10168	51.0
111.11701	8.3
112.20890	3.0
119.08581	26.1
121.10149	36.9
123.08073	31.9
123.11717	21.8
128.12164	4.0
131.08582	8.0
133.10130	22.4
135.08049	13.1
135.11700	19.4
137.09584	5.1
137.13252	7.3
145.10141	10.4
146.12881	4.2
147.11659	22.9
149.09573	5.1
149.13249	12.3
151.11259	4.4
157.10114	5.8
159.11658	12.4
161.13258	15.5
163.11188	6.5
163.14845	7.4
165.09157	3.3
165.12798	3.6
171.11661	4.4
173.13295	6.0
175.14830	8.2
177.12714	5.7
177.16365	8.3
179.14311	44.8
179.17847	4.0
189.16437	8.4
191.17976	8.4
193.15900	6.9
201.16374	10.0
203.14394	3.6
203.17929	17.9
205.15817	12.2
205.19589	10.4
207.17403	4.2
213.16373	4.4
215.18001	4.7
217.19568	17.7
219.17467	11.8
231.17430	7.8
231.21068	10.4
233.19044	6.6
245.22618	9.4
255.21040	3.6
259.20575	6.2
259.24182	6.2
271.20557	3.5
271.24301	5.4
273.74493	3.2
285.22318	4.4
327.26749	4.8
331.26273	28.8
349.27243	3.9
405.35150	12.4
423.30933	100.0
423.36240	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66862	0.6
55.01869	1.9
55.05517	6.4
57.03427	2.5
57.07061	1.5
59.02023	0.6
66.17570	0.5
67.05503	11.4
69.07069	11.0
71.04988	1.5
71.08629	0.8
71.34745	1.1
71.35062	0.6
79.05488	6.4
81.07059	14.9
83.04967	0.9
83.08624	5.7
85.06541	2.0
91.05494	4.9
93.07053	10.1
93.98409	0.7
95.04964	0.9
95.08615	15.1
97.06538	2.8
97.10178	1.3
99.08153	0.7
105.07034	7.3
107.08600	12.2
108.93814	0.6
109.06534	8.1
109.10158	21.4
111.08092	1.8
117.06966	0.9
119.08585	7.8
121.06493	1.0
121.10161	8.1
123.08076	41.4
123.11727	3.0
125.09673	0.8
131.08578	1.6
133.10141	7.9
135.08064	7.5
135.11713	4.0
137.09631	2.9
137.13246	1.3
143.08592	1.1
145.10132	3.6
147.11697	5.2
149.09625	2.6
149.13271	3.5
157.10165	1.5
159.11731	3.0
161.13266	4.1
163.11200	1.7
163.14812	1.2
165.12715	1.1
169.10109	0.7
171.11740	0.8
173.13295	2.4
175.14836	1.5
177.12715	3.6
177.16454	0.8
179.14320	15.6
185.13292	0.7
187.14763	0.8
189.16396	1.5
191.18077	0.8
201.16379	0.9
203.14296	0.9
203.18008	2.6
205.15887	1.5
213.16393	0.8
217.19597	1.4
231.17503	2.3
245.19113	0.8
247.20613	1.0
263.20035	1.8
271.20724	0.9
275.20032	5.0
277.21753	1.1
289.25433	0.8
293.21103	3.2
303.26938	4.0
313.25281	1.0
331.26349	23.4
349.27292	5.2
367.24954	2.1
375.17609	0.9
405.30029	1.5
405.35275	1.2
423.31091	100.0
423.36136	7.6
424.31631	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15804	1.2
55.01874	1.1
55.05515	3.5
57.03437	3.0
57.07071	3.6
67.05521	7.1
69.07075	8.9
71.05000	1.6
71.08632	3.5
72.08167	13.4
79.05493	4.9
81.07053	14.1
83.04980	1.2
83.08622	3.7
86.09715	4.6
91.05499	3.8
93.07062	9.1
95.08603	14.2
97.05327	1.2
97.06553	2.5
97.10149	2.3
98.21506	2.8
105.07041	4.3
107.08607	7.6
109.06537	9.5
109.10155	5.1
113.00026	4.5
119.08583	5.2
119.09344	1.3
121.10200	6.3
123.08076	31.8
123.11738	2.8
131.08559	3.0
133.10126	4.5
135.08080	5.0
135.11720	3.0
137.09677	2.3
145.10168	3.3
147.11671	4.1
149.09682	1.7
149.13280	2.0
157.10184	1.4
159.11732	4.3
161.13261	2.3
163.14719	1.3
169.02670	4.1
171.11702	1.1
173.13324	1.6
177.12804	1.9
179.14328	27.8
196.78123	1.1
205.15816	1.5
263.20078	1.7
275.20148	3.6
293.21143	3.3
303.26831	3.6
311.25827	2.5
315.92487	1.4
331.26343	23.8
349.27493	4.2
350.34171	1.2
367.24854	1.7
405.29483	1.2
423.31088	100.0
423.35806	5.2
424.31494	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
54.07479	0.8
55.05513	5.0
57.03431	2.4
57.07070	4.2
67.05511	8.6
69.03427	0.9
69.07071	6.7
71.04979	2.0
71.08617	2.8
71.58142	1.3
79.05500	4.0
81.07064	12.8
83.04959	1.1
83.08618	2.9
85.06528	2.4
91.05463	4.6
93.07049	6.2
95.04933	1.4
95.08608	11.9
97.06506	1.1
97.10167	1.5
99.08114	1.9
105.07016	5.2
107.08081	0.7
107.08616	6.7
107.42702	0.7
109.06521	16.6
109.10161	5.8
111.08080	1.8
111.11724	0.9
112.19791	0.8
113.00018	1.3
117.06998	1.4
118.13300	0.7
119.08581	7.9
121.06498	1.4
121.10145	5.1
122.07293	1.6
123.08070	35.7
123.11691	2.3
125.09550	0.9
131.08543	2.2
133.10155	5.9
134.38106	0.8
135.08063	8.0
135.11720	2.9
137.09601	2.0
145.10141	3.1
147.11685	4.2
149.09624	1.5
149.13234	2.7
150.38675	0.7
157.10057	0.9
159.11687	2.8
161.13268	1.8
163.11386	0.7
163.14824	1.0
165.12733	1.6
167.14307	0.9
173.13280	1.3
175.14893	1.3
177.12756	2.8
177.16394	1.1
179.14313	57.2
187.14810	1.2
189.16318	0.9
193.15860	1.1
200.79195	0.9
201.16383	0.8
203.18059	0.9
205.15959	2.2
232.97768	0.9
233.19005	1.1
239.04021	0.8
244.22716	0.9
263.20337	0.9
275.20148	3.2
293.21088	1.7
303.26886	1.9
311.25809	2.4
331.26337	26.1
349.27344	6.4
367.24811	0.8
386.44281	0.8
405.29980	1.8
423.31076	100.0
423.35260	3.9
424.31433	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
57.03431	2.3
57.07078	3.9
67.00379	1.6
67.05502	9.7
69.07076	11.4
70.55401	3.8
70.55788	3.6
71.08635	3.1
79.05502	4.4
81.07062	17.5
83.08611	4.7
85.06563	2.1
86.09708	7.1
91.05457	4.2
93.07030	8.7
95.04941	3.0
95.08624	16.4
97.10190	2.4
105.07056	6.7
107.08597	11.7
109.06532	11.5
109.10161	9.0
111.08082	2.9
119.08608	8.5
121.10141	8.2
123.08080	35.5
123.11723	5.0
131.08540	1.6
133.10129	6.7
135.07196	1.8
135.08002	8.1
135.11716	5.4
137.09651	3.8
137.13292	2.8
145.10152	3.5
147.11723	3.8
149.09637	5.3
149.13268	6.6
156.62360	1.5
159.11710	4.6
161.13286	3.0
165.12770	1.6
171.11807	2.4
173.13271	3.0
177.12740	3.5
179.14325	39.2
189.16371	2.0
191.18024	3.1
203.14345	1.6
215.17982	2.3
233.18999	3.1
268.63107	1.6
275.20044	2.7
289.24887	1.9
303.26834	2.8
313.25244	2.1
319.67288	1.9
331.26367	28.5
349.27444	6.9
352.01627	1.5
405.35077	2.2
423.31027	100.0
423.36304	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05509	6.3
57.03419	2.3
57.07066	2.5
67.05508	6.3
68.90134	0.6
69.07070	9.2
69.92219	1.9
69.92629	1.4
71.05005	0.8
71.08616	2.3
73.42261	0.6
74.79121	0.7
74.88635	0.7
75.04489	1.0
77.48654	0.6
79.05503	5.0
80.92912	0.6
81.07059	9.1
83.08613	3.4
85.06570	0.9
91.05469	2.8
93.07050	7.0
95.04997	0.8
95.08614	9.2
97.06520	1.6
97.10163	1.9
99.08092	1.1
105.07053	3.6
107.08597	5.5
109.06518	10.5
109.10155	3.6
111.08064	2.0
117.06974	0.9
119.08575	4.5
121.06530	0.8
121.10152	4.7
123.08075	38.8
123.11698	1.7
131.08525	1.4
133.10162	4.5
135.08052	7.1
135.11688	1.8
136.08734	0.6
136.93141	1.0
137.09599	2.1
137.13252	1.0
145.10127	2.4
147.11665	2.5
149.09607	1.9
149.13252	1.2
151.11156	0.6
154.94203	1.1
159.11736	1.2
159.85837	0.6
161.13251	1.1
163.11217	1.2
165.12807	0.8
173.13289	0.8
177.12755	3.3
179.12733	1.4
179.14323	28.0
184.33934	0.6
190.58360	0.6
193.15880	1.0
205.15894	1.3
233.19063	0.8
247.20692	1.5
263.20084	1.7
275.20050	4.1
289.25433	0.9
293.21149	2.7
303.26862	3.5
307.22699	0.8
311.25702	1.6
331.15228	0.7
331.26315	24.0
349.27399	6.1
363.18094	0.8
367.24756	1.3
405.29724	0.9
423.31076	100.0
424.31363	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01875	1.0
55.05311	0.6
55.05513	6.5
57.03432	2.9
57.07058	2.3
67.05500	7.7
69.06738	0.6
69.07072	7.9
69.38205	4.7
71.04981	1.6
71.08606	1.8
79.05499	4.2
81.07059	11.8
83.04969	0.7
83.08620	4.3
85.06550	1.7
89.77374	0.5
91.05486	2.7
93.07034	5.8
93.95792	0.6
95.04993	0.7
95.08614	10.6
97.06515	2.7
97.10172	1.4
98.21499	1.6
99.08092	0.9
105.07055	3.9
107.08592	5.6
109.06512	9.2
109.10128	3.8
111.08065	1.0
113.00030	1.4
117.07067	0.9
119.08582	5.2
121.06473	0.9
121.10138	4.6
123.08070	37.7
123.11679	1.3
131.08597	1.5
133.10158	3.0
135.08057	6.0
135.11713	2.0
136.93077	1.2
137.09589	1.7
137.13251	0.8
141.48720	0.7
145.10107	2.7
147.11678	2.8
149.09660	2.2
149.13293	1.9
154.94226	0.8
159.11699	2.4
161.13269	1.2
164.37573	0.5
165.12819	0.9
167.14351	0.6
172.95291	0.8
173.13290	1.4
175.14833	1.3
177.12782	3.5
179.12727	1.4
179.14310	26.3
191.14355	1.0
193.15923	0.9
202.73918	0.8
205.15915	1.2
226.87436	0.6
233.18973	0.9
247.20488	1.4
275.20114	3.7
293.21082	2.7
303.26849	2.6
311.25851	3.2
331.26318	23.7
349.27325	5.9
367.24738	1.9
396.13184	0.6
405.30035	1.9
423.31058	100.0
424.31525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79296	4.6
53.03935	10.6
55.01868	8.4
55.05508	36.7
56.96563	8.5
57.03448	10.2
57.07073	8.2
67.05511	100.0
69.03439	44.9
69.07071	35.5
69.96105	5.3
71.04974	11.4
71.57282	4.7
72.08160	9.1
73.02902	6.8
77.03905	4.2
79.05060	6.3
79.05498	80.3
80.09248	4.2
81.03429	40.0
81.07067	97.7
83.04994	8.7
83.08622	12.9
85.02911	22.0
87.04455	4.9
91.05483	67.9
92.63934	4.5
93.07044	91.0
95.04952	14.3
95.08610	84.2
97.02900	23.0
97.06546	10.1
97.10188	8.7
98.97586	20.1
99.04495	8.4
100.07825	4.4
105.07044	67.7
107.04935	10.8
107.07985	4.5
107.08621	51.7
109.02881	7.3
109.06516	25.7
109.10162	32.4
111.04435	11.5
114.22862	4.7
115.41164	4.6
116.98653	4.5
117.07011	30.6
119.08587	49.9
120.08929	4.3
121.06509	8.2
121.10126	39.9
123.08086	36.6
123.11702	19.0
127.03922	8.3
129.05487	5.1
129.06992	15.5
131.00201	8.6
131.08569	46.2
133.06490	6.3
133.10132	36.9
135.08041	14.7
135.11707	34.6
137.09644	6.8
137.13245	7.4
141.07019	7.2
143.08583	11.1
145.06485	8.8
145.10132	27.6
147.08017	6.4
147.11685	24.3
149.09642	8.6
149.13268	17.7
151.07593	5.8
155.08609	6.8
157.10147	15.5
158.99672	10.8
159.08017	6.7
159.11719	28.0
161.13239	26.3
163.11176	5.0
163.14896	6.8
169.10153	9.5
171.11697	11.7
173.13275	21.3
177.00723	5.0
177.12753	5.1
179.14304	38.9
183.11694	8.1
185.13368	8.3
187.14864	10.2
189.12759	5.1
199.11333	5.3
199.14835	8.6
205.15778	5.8
209.13272	5.7
229.15608	4.6
243.21062	7.5
259.20694	11.0
261.22168	33.3
261.57550	5.2
268.35013	4.8
275.20178	8.6
277.13919	12.2
277.21680	8.0
279.23239	8.0
293.05447	5.9
293.20850	5.8
301.21591	9.7
303.23245	12.4
315.23212	6.0
317.17905	14.5
327.23264	7.7
331.26221	24.3
341.24875	5.8
345.24133	6.5
351.23056	6.4
359.25867	8.2
369.24152	26.9
387.25229	28.7
405.26239	33.2
423.26703	17.3
423.31763	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03935	9.1
55.01865	10.6
55.05506	31.5
57.03431	8.6
65.03925	4.5
67.05510	100.0
69.03435	37.6
69.07069	29.2
71.01342	6.4
71.04984	8.4
73.02876	4.0
79.05494	72.9
81.03425	43.9
81.07059	97.7
83.04978	12.9
83.08609	17.9
85.02900	16.5
85.06562	5.3
91.05489	69.4
93.07047	83.5
95.04995	18.1
95.08614	66.3
97.02901	9.7
97.06541	11.2
97.10164	7.6
99.04449	11.9
99.08093	6.2
103.03930	3.9
104.10754	8.5
105.07032	63.8
107.04972	8.5
107.08591	54.4
109.02888	7.2
109.06496	8.6
109.10150	35.9
111.04434	9.1
111.08074	4.6
115.05430	4.2
117.07013	28.6
119.08582	50.3
121.06512	10.4
121.10154	43.3
123.08083	11.5
123.11713	9.1
127.03929	7.7
128.06224	3.6
129.05484	8.2
129.06996	20.7
131.08569	41.8
133.06491	5.5
133.10143	30.1
135.08060	10.5
135.11690	26.7
137.05981	3.6
137.09593	5.7
137.13260	4.7
141.07027	5.2
143.08568	23.8
145.06415	3.3
145.10114	37.2
147.08009	6.3
147.11685	29.4
149.05981	3.2
149.09563	7.8
149.13246	14.3
155.08537	12.3
157.10129	17.4
159.08063	4.9
159.11690	30.1
161.09601	3.8
161.13245	15.3
163.11221	5.4
163.14801	5.5
169.10120	11.2
171.11702	15.9
173.09529	4.2
173.13231	21.2
175.11177	5.3
175.14821	6.5
177.12717	4.3
179.14301	6.5
185.09677	3.8
185.13263	10.6
187.11197	5.3
187.14854	11.0
193.12099	3.0
195.11830	4.8
195.13777	4.8
197.13225	4.9
199.14818	7.0
201.12914	3.4
209.13301	5.9
211.14819	4.4
213.16351	4.1
215.14320	5.5
219.13885	4.9
241.19611	5.9
259.20639	13.5
261.22141	24.0
273.22183	6.6
277.21646	9.4
285.22183	6.3
287.20074	4.6
289.21582	10.6
291.23239	5.3
301.21689	5.8
303.23270	20.1
315.23154	9.3
319.22610	5.5
327.23325	5.3
331.26276	5.3
339.23282	4.0
341.24872	6.9
345.24255	7.1
351.23117	11.0
369.24283	42.2
387.25314	29.9
405.26401	48.5
422.15100	3.3
423.26740	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03940	10.0
55.01866	7.9
55.05513	41.6
56.96560	8.0
57.03438	14.8
57.07065	5.6
65.03934	5.1
67.05507	100.0
69.03431	37.5
69.07064	40.0
69.30901	5.5
69.31319	17.0
71.01329	4.6
71.04989	9.1
72.77409	2.8
73.02905	5.7
77.03924	3.4
79.05495	75.8
81.03420	51.3
81.07059	99.5
83.00945	2.4
83.04972	19.5
83.08604	17.6
85.02911	18.4
85.06538	4.3
91.05482	60.3
93.06472	5.2
93.07045	88.6
95.04984	17.0
95.08607	73.8
97.02895	16.3
97.06525	12.2
97.10178	11.8
98.97559	4.0
99.04449	15.4
99.08096	5.2
103.03930	3.6
105.07037	61.7
107.04957	8.6
107.08596	52.6
109.02898	5.4
109.06530	11.2
109.10161	35.3
111.04440	11.7
111.08091	8.0
117.07016	28.5
119.08585	51.9
121.06498	11.6
121.10145	44.1
123.04427	3.5
123.08060	11.5
123.11705	16.0
125.09613	5.2
127.03916	8.0
128.06165	5.8
129.05501	6.2
129.06985	17.0
131.04912	3.2
131.08575	49.4
133.06494	9.4
133.10121	36.4
135.04439	2.6
135.08041	8.1
135.11703	29.9
136.93112	6.5
137.05965	4.4
137.09601	5.5
137.13284	4.9
139.07669	3.0
141.07001	4.3
143.08546	19.2
145.05106	4.1
145.06494	7.3
145.10124	34.9
147.08011	5.9
147.11681	27.4
149.09608	6.9
149.13275	17.7
151.11166	4.6
154.94154	13.5
155.08586	9.1
157.06418	3.4
157.10124	15.1
159.08131	3.9
159.11703	32.6
161.09595	3.8
161.13290	19.4
163.11177	3.4
163.14825	8.1
169.10152	8.7
171.11702	12.8
172.95212	7.2
173.09593	4.3
173.13272	21.0
175.11221	3.0
175.14824	7.8
177.12733	2.7
179.14337	3.0
183.11688	7.4
185.09729	3.2
185.13274	10.9
187.11086	3.5
187.14851	11.6
189.12727	5.1
191.14328	3.3
195.11734	3.6
197.13333	5.8
199.14798	7.2
201.16331	5.8
203.12685	3.0
203.14412	4.1
213.12756	3.3
213.16385	2.5
215.14331	3.5
219.13705	3.2
241.19597	7.4
243.21059	7.0
259.20636	14.8
261.22171	32.9
261.24915	4.2
271.20547	4.6
273.22134	9.0
277.21667	10.0
279.23215	4.1
283.12057	5.4
283.20728	3.3
285.22250	3.4
289.21643	9.0
291.23090	3.3
297.22247	2.9
301.21637	6.1
303.23154	24.6
311.25854	7.0
313.21579	6.1
315.23215	7.6
319.22693	6.5
323.15350	3.6
327.23325	7.8
331.22568	3.5
341.24832	6.6
345.24338	7.7
351.23245	11.5
359.26089	4.7
369.24280	40.1
387.25253	36.4
405.26328	53.8
423.27002	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
53.96493	2.0
55.01853	4.8
55.05300	2.2
55.05518	24.4
56.96561	4.0
57.03430	8.7
57.07076	5.1
59.05001	2.4
65.03941	6.0
67.05511	97.1
68.38218	1.8
69.03443	21.0
69.07075	22.4
71.01340	3.2
71.04990	6.3
71.08324	2.9
72.62401	1.9
73.02920	2.5
77.03901	1.9
79.05495	78.4
81.03426	14.7
81.07061	100.0
81.29036	1.8
83.04977	8.9
83.08620	12.9
85.02906	28.4
85.06564	4.5
88.26152	1.9
89.21023	1.8
91.05484	46.2
93.07045	90.2
95.04969	6.9
95.08610	72.1
95.09055	1.6
96.08903	2.1
97.02892	30.5
97.06538	6.5
97.10165	4.4
98.97585	5.6
99.04458	7.2
101.02343	2.0
105.04563	2.2
105.07039	41.6
107.07870	3.3
107.08593	45.3
109.02877	3.9
109.06519	4.5
109.10156	32.7
111.04434	4.6
111.08105	3.1
115.05457	2.6
116.98619	4.6
117.07028	24.0
119.08584	35.4
121.06592	2.7
121.10142	50.1
123.08073	12.2
123.11687	11.7
125.09643	2.2
127.03951	17.5
129.05495	6.4
129.07022	9.8
130.07777	1.9
131.04987	1.9
131.08569	29.4
133.06523	4.3
133.10141	25.9
135.08076	3.9
135.11702	32.9
137.09607	3.0
137.13272	4.4
139.07579	1.9
139.11122	1.9
143.08575	8.5
145.04980	3.6
145.06454	3.1
145.10156	24.4
147.11673	19.6
149.09613	3.5
149.13271	18.9
151.11180	2.4
151.14883	2.1
157.10149	6.3
159.08063	2.6
159.11720	25.3
161.13266	15.3
163.11177	3.6
163.14850	6.4
165.12738	2.1
167.08585	2.7
169.10104	3.8
171.11720	7.1
173.09659	2.5
173.13260	20.0
175.11166	3.2
175.14810	4.1
177.12659	2.5
179.14377	9.8
183.11731	3.1
185.13245	6.4
187.14828	7.1
189.12714	3.0
195.11809	3.1
197.09540	2.2
197.13219	2.3
199.14789	2.5
201.16379	4.7
205.15880	2.6
227.14302	2.2
231.20995	2.1
233.22746	2.4
241.19478	2.7
243.21106	7.4
259.20596	12.6
261.22174	40.0
277.21637	6.9
279.23309	3.3
280.13467	2.0
289.21771	6.6
301.21750	2.2
303.23270	6.4
315.23251	6.0
318.96231	1.9
321.91632	2.0
324.16364	2.0
327.23239	5.0
331.26395	6.3
339.23242	2.5
341.24820	5.3
345.24484	5.1
351.23114	3.1
357.24283	5.5
363.18201	4.2
369.24261	15.6
371.52771	2.7
387.25098	9.3
405.19775	5.0
405.26285	8.9
423.26248	22.9
423.31293	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.4
53.68789	3.0
55.01871	7.1
55.05507	29.8
57.03432	9.0
57.07062	5.2
57.97029	3.2
62.46825	3.2
65.03940	3.2
65.83607	2.9
67.05505	100.0
68.52824	2.8
69.03436	24.3
69.07073	31.0
69.41763	13.9
69.42169	9.2
71.04989	13.0
76.92287	3.3
79.05495	63.6
81.03415	36.1
81.07059	92.8
83.04974	8.9
83.08631	17.7
85.02908	26.4
85.06548	4.2
91.05484	49.4
93.07049	82.2
94.18552	2.9
95.04978	11.8
95.08054	6.0
95.08608	76.9
97.02884	16.7
97.06522	6.3
97.10181	4.6
99.04449	6.5
105.07040	47.9
107.04951	5.0
107.08601	48.9
109.02904	4.7
109.06516	12.1
109.10153	39.8
111.04443	5.3
111.08086	7.0
111.11734	4.4
113.70727	3.4
115.03976	4.9
117.07033	21.9
119.08598	39.3
121.06538	7.1
121.10154	37.1
123.08065	14.6
123.11717	11.3
125.09682	4.3
127.03902	9.7
128.06258	6.1
129.05492	4.1
129.06992	12.8
131.08566	35.6
133.06406	4.1
133.10135	32.8
135.08058	9.7
135.11705	24.8
137.09630	6.8
137.13226	7.9
139.11177	4.3
141.07002	6.7
143.08548	13.2
145.10162	21.5
147.07993	5.6
147.11693	23.6
149.09631	8.2
149.13258	19.4
155.08549	6.5
157.10114	8.3
159.08124	3.3
159.11697	25.9
161.09628	3.7
161.13239	16.4
163.11206	5.9
163.14778	7.4
167.08557	5.4
169.10147	5.5
171.11687	6.8
173.11877	4.1
173.13210	16.0
175.11191	3.3
175.14766	4.7
177.12776	5.7
177.16431	4.0
179.14317	19.1
183.11731	5.0
185.13228	8.1
187.14871	5.8
187.40906	3.8
189.12816	6.2
191.14421	5.3
199.14786	3.8
201.12706	6.8
213.12790	4.5
215.17839	4.0
239.14339	4.4
241.19362	3.6
243.21185	5.0
256.18015	3.7
259.20566	13.3
261.22073	30.9
273.15506	3.3
273.22070	3.7
277.21692	10.5
289.21613	4.3
301.21588	7.0
303.23090	10.7
315.23163	7.2
331.26395	19.1
341.24814	6.9
345.24063	5.5
349.27338	5.7
351.23230	8.4
359.25690	3.9
369.24310	26.9
387.25195	19.2
405.26221	21.8
423.21124	7.8
423.27118	31.7
423.31357	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05505	6.3
56.96303	2.1
56.96572	33.1
67.05521	9.3
69.07062	4.9
70.10453	6.8
70.58170	1.7
70.98108	6.4
71.04967	1.8
71.08601	1.7
71.95246	4.1
74.97617	1.5
79.05485	4.4
81.06621	1.5
81.07043	9.0
83.08622	2.0
88.99142	2.0
91.05481	2.9
93.07027	8.2
95.08605	6.2
97.10194	2.3
98.97590	29.3
100.47891	1.6
105.07027	4.4
107.08577	5.6
109.06528	5.0
109.10162	4.6
116.98617	16.6
119.08553	3.3
121.10146	2.7
123.08061	13.1
127.00636	1.7
133.10150	2.8
134.99640	7.2
135.08072	3.0
135.11708	2.1
136.99094	2.1
140.00124	2.0
140.81641	1.6
141.99358	1.5
145.10114	2.6
155.00148	4.4
155.54297	1.7
159.11717	3.0
161.63246	1.8
169.01706	2.2
173.01276	1.6
173.04878	3.4
177.12761	1.5
179.14337	17.4
181.05350	1.9
181.07532	1.7
185.04837	1.6
195.07001	2.8
201.07957	4.1
205.15958	1.6
211.06441	3.2
213.07863	2.7
219.09015	2.7
223.06450	2.9
225.08014	7.6
227.09431	2.0
229.07484	3.1
239.09570	7.0
243.09039	10.8
257.10559	9.6
265.10959	2.7
275.11731	2.8
283.12140	4.9
292.37381	1.6
293.10620	2.6
313.14706	3.2
326.10416	5.3
329.14050	1.6
331.15759	7.3
331.26273	9.2
345.17435	4.3
349.16873	6.7
349.27441	4.5
361.17203	1.9
363.18488	29.0
370.51285	1.8
381.19400	2.1
405.19525	100.0
423.20691	31.6
423.31146	33.5
446.22049	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	0.8
70.74036	1.2
70.74422	1.0
72.08169	0.6
84.04506	1.7
84.08152	1.2
85.02898	0.6
86.09700	1.1
91.05486	1.7
97.02881	0.7
98.97598	1.2
101.07160	0.9
119.04971	3.0
119.05662	0.5
119.65778	0.4
120.08083	2.1
136.07593	0.9
147.04419	11.7
148.04755	0.9
183.76842	0.5
193.44499	0.5
257.02841	0.5
258.10956	0.6
261.13138	12.1
277.06104	0.8
345.05588	0.6
363.13382	0.7
423.18399	100.0
424.18665	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.0
53.80155	2.6
55.01878	3.2
55.05503	10.9
56.96298	4.5
56.96566	79.3
57.03430	4.2
57.07070	5.0
67.05504	26.6
69.07062	10.1
70.98112	10.8
71.56819	5.0
71.57180	3.1
71.95227	6.9
72.08160	3.7
79.05484	23.8
81.03397	6.8
81.07056	31.1
83.08600	6.4
91.05482	18.2
93.07047	23.0
95.04997	4.3
95.08607	25.0
97.02903	16.5
97.06506	3.3
98.97586	93.0
99.04492	3.0
105.07033	11.3
107.08617	15.4
109.06500	7.9
109.10152	14.1
110.97539	4.4
111.08095	3.8
116.98620	52.7
117.07042	4.6
119.08552	14.5
121.10142	17.6
123.08083	18.4
127.03961	6.5
131.08577	9.0
133.10138	9.8
134.99660	22.3
135.08040	7.5
135.11684	8.1
137.09595	3.3
138.62679	3.2
140.00195	8.4
145.10100	7.3
147.11708	7.0
151.00641	3.6
153.02138	3.1
155.03781	5.3
158.01250	5.0
159.03342	3.6
159.11661	3.7
171.03279	5.5
173.04887	7.8
173.13358	4.6
177.12746	3.0
179.14328	22.7
183.06999	6.0
185.04793	6.7
187.02869	4.6
195.06891	3.7
199.06445	4.8
205.07430	4.9
209.08507	4.5
211.02715	6.1
211.06389	5.2
223.06454	5.4
223.08443	3.7
229.07378	5.8
237.04257	3.4
237.08020	6.6
243.09039	7.1
247.10150	5.8
249.07915	3.1
251.09497	7.1
255.08891	8.3
257.10556	4.0
261.07855	3.6
261.22116	9.0
263.09573	6.3
265.11136	8.5
267.12582	3.6
269.10574	4.1
271.12173	4.6
275.20056	3.8
277.11246	7.4
279.08990	5.2
281.10452	5.7
283.12140	6.5
285.10165	11.8
293.10504	4.1
295.12186	12.0
297.13773	29.7
303.11548	4.1
313.14587	5.1
318.13644	4.5
323.15048	3.9
326.10318	6.2
331.15930	20.2
331.26257	10.5
335.15051	4.5
336.12256	5.7
337.13263	7.3
345.17511	5.0
349.16779	19.5
349.26648	6.1
351.18277	3.9
363.18387	64.1
372.18192	5.3
405.19479	100.0
423.20453	63.2
423.26724	12.5
423.31604	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	422.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
55.05513	13.3
56.96556	4.3
57.03448	11.9
67.05176	4.3
67.05506	60.3
69.03423	9.0
69.07063	11.3
69.20885	4.5
69.21276	22.8
70.06574	4.4
71.04989	6.0
79.05495	15.9
81.03414	5.9
81.07053	29.0
83.04987	2.8
83.08618	12.2
84.04513	9.8
85.02883	4.7
85.06524	3.5
85.25050	2.4
87.04475	3.3
91.05480	20.9
93.07034	23.0
95.04965	9.1
95.08613	13.8
95.25705	2.5
95.56507	2.5
97.02885	5.7
97.06527	8.0
97.10161	8.2
98.97543	3.1
99.08082	3.8
105.07036	7.0
107.08609	14.2
109.10158	47.9
111.08080	4.5
117.06991	4.8
119.08606	12.1
121.10114	5.0
122.41264	2.4
123.11694	3.9
124.90433	2.4
125.09620	5.3
127.03893	3.1
131.08513	2.9
133.10080	4.5
135.11629	3.1
137.09589	4.5
145.10152	2.7
147.04410	7.1
149.13312	5.1
151.11165	4.0
155.10684	8.0
159.11696	6.5
163.03897	4.9
163.11250	2.9
163.17566	2.8
173.11774	19.9
173.13092	4.1
174.07672	8.3
174.97231	2.6
177.12788	4.4
179.14230	3.2
199.25443	2.3
227.12784	2.7
229.12083	5.5
229.14359	100.0
231.10158	7.3
269.17435	33.6
277.21695	12.1
295.22678	3.9
344.14172	2.5
344.63873	2.5
351.25473	22.2
369.26511	20.9
404.24667	3.2
422.21802	8.2
422.25998	3.5
422.30331	4.7
423.23483	15.9
446.30341	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	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
57.07080	14.0
67.05495	7.1
67.69986	2.3
69.07057	10.3
69.86142	5.3
69.86536	5.8
71.08631	13.1
79.05505	3.4
81.07040	9.0
83.08614	6.7
89.06016	3.9
91.05508	3.2
93.07034	5.3
95.08608	4.5
97.06544	2.8
105.07044	4.2
109.10153	41.4
113.00027	4.1
121.02901	2.6
127.11193	100.0
130.13376	2.7
131.08528	3.1
133.08540	4.4
138.04312	2.7
149.02341	52.3
169.02631	3.2
195.12262	3.0
312.30624	2.2
340.23639	3.3
390.27396	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	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.9
55.01865	8.7
55.05500	10.0
56.05013	6.6
56.96583	6.6
57.03428	17.8
60.04528	13.7
61.02925	10.2
67.05503	39.7
68.99804	7.1
69.03428	50.5
69.07065	21.9
70.06592	27.1
71.04995	15.4
71.57064	6.7
72.04539	5.7
72.08150	9.8
73.02898	20.7
75.79481	5.8
79.05502	42.4
81.03411	37.5
81.07063	64.8
83.04978	25.4
84.04488	8.2
84.08142	18.3
85.02908	100.0
86.09704	21.1
87.00836	36.9
91.05476	50.4
93.07045	86.8
95.04970	18.6
95.08614	56.3
97.02891	54.5
97.06502	10.6
98.97554	11.6
99.04442	15.5
103.05457	6.1
105.01857	34.8
105.07020	42.3
107.08569	12.9
107.64829	5.8
109.02882	25.0
109.06467	7.6
109.10160	7.4
110.09630	7.5
111.04417	12.3
113.12019	6.7
115.03928	9.4
117.01886	9.8
117.07021	14.4
119.04947	16.1
119.08575	19.7
120.08104	17.8
121.06478	13.0
121.10144	65.0
123.11706	30.3
127.03931	53.4
128.98663	7.2
129.06990	10.6
130.42076	5.8
131.08568	12.1
133.10146	17.3
137.09598	10.6
139.03885	7.5
139.11217	13.5
145.02846	13.5
145.04971	20.5
145.06387	5.2
145.10181	10.3
146.18474	6.6
147.04416	61.8
148.04742	11.5
149.06001	6.7
149.09653	11.3
151.11200	16.8
155.13025	13.6
156.08063	20.7
156.13832	7.9
156.63963	6.7
157.10101	10.7
159.02908	16.4
159.08073	9.3
161.09633	8.2
163.11183	16.8
167.06992	8.7
174.09148	19.9
177.05505	19.5
179.10782	7.5
187.11192	8.3
193.12233	11.4
201.12685	9.0
219.01631	6.8
223.21799	13.0
224.08034	10.3
224.58292	8.6
225.14841	15.2
229.12221	18.5
231.04803	9.1
247.13289	24.3
327.26437	54.6
328.26788	25.5
333.13547	11.5
351.14417	12.8
376.17453	15.9
422.26352	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.06833	1.0
57.07083	13.8
60.36221	0.6
67.05514	2.9
69.07059	1.3
70.06583	0.6
79.05494	1.9
81.03414	1.4
81.07051	2.0
83.08613	0.7
85.02852	0.9
88.07654	0.8
88.54340	0.6
91.05481	1.8
93.07021	1.8
95.04961	1.5
95.08617	1.5
97.02867	0.6
104.99309	0.8
105.07010	2.1
107.08577	1.5
109.10126	0.7
117.07002	1.4
119.08607	1.0
125.07110	1.9
126.05502	1.7
131.08539	1.6
133.10179	0.7
135.08028	1.3
145.06604	0.9
145.10124	1.0
149.02354	3.0
155.08600	0.6
173.13263	0.7
189.42319	0.6
193.04965	3.4
208.14503	1.0
209.12898	5.4
214.28076	0.6
218.12927	2.7
219.11414	1.1
233.15492	0.9
256.26370	1.6
275.17551	3.7
288.71158	0.7
292.20172	4.2
293.18631	6.1
302.18613	10.5
315.19324	0.8
329.21259	0.8
338.96805	1.4
358.24869	1.5
367.22711	1.2
376.25961	100.0
377.26279	1.9
385.23846	0.9
394.27057	2.2
403.24686	2.0
421.25897	2.2
421.31671	6.0
422.28845	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42598	0.9
51.51638	0.9
55.01864	4.2
55.05511	8.0
57.03442	10.6
57.07081	33.7
60.09603	1.0
65.03928	1.3
67.05507	15.1
69.07073	11.3
71.04994	1.8
71.08636	1.3
71.42818	1.2
78.11903	1.1
79.05493	11.3
81.03407	1.4
81.07059	25.9
83.04982	3.3
83.08621	4.4
85.06544	16.0
91.05486	8.3
92.86373	1.1
93.07055	14.2
95.04966	2.5
95.08612	18.1
97.06551	5.0
97.10136	2.4
105.07055	8.6
107.08598	13.1
109.06512	13.4
109.10170	7.0
111.04463	4.1
111.08096	2.9
113.00000	1.4
117.07028	2.0
118.11167	1.0
119.08572	7.9
121.06493	1.9
121.10143	9.0
121.92382	1.1
123.08083	9.1
123.11714	2.4
125.06025	3.6
129.07007	1.1
131.08571	3.4
133.10141	6.5
135.08051	16.9
135.11722	4.2
137.04985	2.1
137.05989	19.9
137.09659	1.9
137.13301	1.5
139.07510	1.9
143.08565	2.3
143.30661	1.1
145.10147	4.5
147.11705	3.7
149.09628	2.6
149.13313	1.7
151.07559	7.8
151.11203	3.5
153.12811	1.6
157.10133	2.8
159.11674	3.8
161.09645	4.0
161.13281	1.8
163.14851	1.4
165.09157	1.1
165.12743	8.1
167.14452	1.2
169.02568	1.1
171.11743	1.4
175.11197	3.0
177.12737	5.5
179.14281	5.2
181.12291	1.0
187.31818	1.1
189.12759	1.2
191.14357	2.7
193.12286	2.9
195.13852	1.8
207.13811	8.8
233.19063	1.7
241.04974	1.2
249.18628	1.4
263.20120	4.0
264.12952	1.5
277.18082	1.7
282.58478	1.2
301.25339	1.5
305.24884	2.4
309.24234	1.3
319.26282	10.4
329.21484	1.3
329.24716	5.9
337.27249	4.9
340.77200	1.2
347.25836	100.0
348.26157	2.4
365.26895	19.8
393.16949	1.9
393.30060	11.4
403.28622	2.9
421.29608	89.0
422.30231	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71440	4.7
53.03936	9.1
55.01862	10.3
55.05504	19.5
56.42990	4.4
67.05175	6.1
67.05505	89.8
69.07069	22.0
69.19376	17.3
69.19792	28.7
71.04985	5.5
79.05145	4.4
79.05494	54.5
81.03413	12.5
81.07063	86.2
83.04960	12.7
83.08604	10.5
85.06528	8.9
86.48618	5.0
89.06012	14.2
91.05492	64.2
93.07053	63.9
95.04973	22.2
95.08602	43.1
95.94332	4.2
97.06549	8.1
97.10189	6.0
99.08097	5.9
99.30092	5.2
105.07028	57.7
107.04975	29.5
107.08590	35.6
109.06499	14.1
109.10155	38.9
111.08083	5.2
112.99998	5.3
117.06979	23.7
119.08566	24.0
121.06466	10.7
121.10158	22.9
123.04393	8.7
123.08075	9.1
123.11734	11.9
128.06206	8.4
129.06972	8.8
131.08546	30.9
133.08565	10.6
133.10130	66.6
135.08022	4.7
135.11693	22.9
137.09598	14.3
141.06989	9.8
143.08560	16.5
145.10114	28.3
147.07980	6.6
147.11667	10.2
149.09615	7.2
149.13286	9.3
151.11185	42.9
155.08551	10.6
157.10127	8.4
159.11644	16.9
161.09665	8.6
161.13190	7.5
163.11153	7.6
169.10081	10.5
171.11723	8.5
173.13300	11.9
177.12796	5.5
179.10718	12.5
183.13817	10.6
183.65640	5.2
187.11201	9.0
187.14746	5.1
197.13303	7.0
199.11205	6.7
201.12631	4.5
207.13860	5.5
213.16386	5.1
223.14673	6.1
239.15021	6.8
311.23700	14.7
321.22113	8.0
329.24872	22.9
339.23242	30.2
343.26120	7.5
357.24249	100.0
361.27231	7.1
371.25601	12.1
389.26831	75.0
421.29407	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.98764	1.3
53.03937	3.1
53.89801	1.3
55.01863	5.7
55.05263	2.5
55.05514	32.8
57.03438	1.3
67.05511	22.6
67.44233	1.2
69.03429	5.2
69.07066	7.4
69.91780	5.1
71.04997	1.9
79.05497	24.5
79.48328	1.3
81.03413	3.8
81.07065	20.1
83.04980	3.5
83.08625	13.0
85.02895	2.1
85.06587	2.1
85.31920	1.1
90.03883	1.2
91.05490	13.9
93.07037	12.3
95.04967	9.6
95.08612	10.1
97.02864	1.9
97.06545	4.0
97.10174	28.5
98.21493	1.6
98.97591	2.3
105.07042	10.2
107.04964	23.4
107.08597	14.0
109.02880	1.7
109.06508	3.8
109.10161	5.1
111.08125	2.6
113.06007	2.0
115.05402	1.6
117.07021	7.0
119.04966	1.5
119.08572	7.8
121.06519	13.2
121.10149	3.4
123.04399	1.6
123.08081	3.6
125.05989	1.4
125.09631	18.9
129.07010	4.8
131.04918	3.8
131.08565	7.0
131.12425	1.4
133.06503	6.2
133.10130	3.9
135.08083	5.0
135.11632	1.5
137.06088	1.4
141.06969	2.1
143.08603	3.7
145.06508	10.7
145.10153	2.7
147.04411	3.0
147.08061	5.3
147.11684	5.3
149.09624	2.7
153.09120	5.7
153.12727	1.8
155.08580	2.6
157.06459	2.4
157.10170	3.6
159.08040	2.2
161.05986	2.1
161.09593	2.1
163.11166	3.5
165.12825	1.4
166.16084	1.3
167.08578	2.0
169.10133	2.5
171.08116	3.1
171.10254	1.7
171.11691	3.6
173.09645	2.5
175.11237	2.0
177.12730	1.5
181.10182	1.8
185.09590	1.7
187.11195	2.3
189.11229	8.8
189.12755	2.7
193.10547	1.4
193.12228	7.4
197.13239	4.0
199.11198	4.0
205.12254	2.9
211.13210	1.8
213.12753	2.1
215.14368	3.5
217.12274	4.2
223.11111	1.6
223.13258	3.6
225.12703	2.3
227.14252	1.6
229.07335	1.5
233.15361	5.0
235.13191	6.3
237.12776	2.4
239.14375	2.2
241.14372	5.9
243.13667	1.3
245.15331	2.6
255.13803	3.5
259.13248	2.2
273.12906	1.2
273.14954	12.7
291.15823	6.4
300.12347	1.6
324.60580	3.2
331.20474	2.0
339.23080	7.2
349.17484	1.0
349.21622	18.8
357.24191	5.0
367.22684	56.5
385.23752	100.0
403.24835	41.4
403.29202	0.9
448.82361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2585
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02390	2.5
53.03938	9.7
55.01871	8.8
55.05513	29.8
56.96557	4.0
57.03438	11.9
57.07065	6.1
65.03931	5.5
67.05507	61.0
69.03429	18.1
69.07066	21.6
71.01359	2.7
71.05003	8.9
71.57044	2.5
73.02914	4.3
77.03920	2.2
79.05493	68.4
81.02984	2.1
81.03423	20.2
81.07060	52.9
83.04990	9.1
83.08619	14.0
85.02914	17.4
85.06516	5.2
87.04501	2.1
91.05486	84.3
93.07046	73.6
95.04970	17.5
95.08607	46.4
97.02888	14.7
97.06515	7.6
97.10159	5.9
99.04448	6.9
99.08110	4.3
101.02431	3.1
103.03919	3.1
103.05478	3.1
104.06276	2.0
105.04510	2.9
105.07030	100.0
106.07401	1.8
107.04988	9.5
107.08588	44.4
109.02864	3.3
109.06500	5.8
109.10142	20.3
111.04443	6.8
111.08064	3.7
113.09692	2.3
115.05457	7.3
117.07019	39.8
119.08581	68.6
121.06498	5.9
121.10146	30.9
123.04407	2.4
123.08066	5.7
123.11700	3.7
125.09654	3.2
127.03921	4.1
128.06235	9.3
129.05554	2.2
129.07016	31.0
130.07761	5.0
131.04829	2.4
131.08565	54.5
133.06485	7.1
133.10130	54.7
135.08067	8.9
135.11684	22.5
137.06004	2.4
137.09604	3.5
137.95999	1.8
141.07007	11.6
142.07784	5.4
143.08566	29.9
144.09331	2.3
145.06464	6.3
145.10130	51.0
147.08047	6.1
147.11696	43.6
149.09619	6.6
149.13272	11.7
151.07559	3.0
151.11192	2.1
154.07724	3.8
155.08536	14.4
156.09372	2.8
157.06444	3.3
157.10138	25.7
159.08049	7.0
159.11700	42.2
161.09578	7.3
161.13242	22.0
163.14799	4.1
167.08562	5.4
169.10118	17.9
171.08064	5.4
171.11694	24.4
173.09636	6.1
173.13263	24.5
175.11217	7.4
175.14792	10.5
177.09158	1.8
177.12802	3.6
181.10143	7.6
183.08058	2.7
183.11676	12.9
185.09619	5.4
185.13225	17.3
187.11186	5.8
187.14857	8.8
189.12724	7.7
191.10597	3.1
191.14339	3.8
193.12210	2.4
195.11719	5.5
197.09685	4.1
197.13263	7.3
199.11195	6.1
199.14873	10.2
201.12712	6.0
203.10724	2.1
203.12578	2.2
203.14336	3.8
207.11794	3.0
209.09589	4.4
209.13191	5.4
211.11209	3.7
211.14859	4.9
213.12799	4.7
213.16386	3.0
215.14322	2.8
217.15875	4.6
221.13237	2.8
225.12692	3.4
227.14336	2.0
229.19565	2.8
231.13840	2.8
231.17451	2.9
231.21040	4.1
233.15456	2.4
237.12794	3.0
237.16423	2.6
239.14374	3.2
239.17906	4.7
241.19514	15.9
243.21210	1.8
243.47328	2.2
249.14827	2.5
251.17906	2.0
253.19431	4.7
255.21284	2.1
257.19040	20.2
258.35748	2.0
259.20581	40.1
265.19379	2.5
269.19034	4.2
271.20602	13.1
273.22083	7.1
275.20139	13.2
277.21573	6.4
283.20560	5.0
285.21753	2.3
287.19946	5.2
289.21680	10.2
295.20630	3.7
301.21609	31.3
311.20319	2.6
313.21918	10.6
319.22702	8.3
321.22052	2.8
325.21680	3.7
329.21072	7.9
331.22705	4.2
339.23181	6.2
343.22824	6.1
347.22339	2.5
349.21658	8.2
357.24179	6.5
361.23846	2.6
367.18289	3.8
367.22687	46.4
368.23331	2.1
375.25107	3.4
377.23407	2.6
385.23755	54.3
403.19345	3.3
403.24808	67.3
421.25830	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.3
55.01890	0.7
55.05515	2.3
56.96579	1.7
57.07094	0.5
65.03941	1.0
67.05506	4.2
67.20752	0.4
68.99807	0.8
69.03429	6.5
69.03762	0.5
69.07070	2.3
69.54255	1.0
69.54668	1.7
70.06605	0.5
71.05001	0.8
71.56124	0.4
76.02200	0.4
79.05492	6.5
80.36849	0.4
81.03424	3.6
81.07061	7.3
83.04979	2.4
83.08635	0.8
84.04477	0.4
84.08156	0.6
84.37744	0.4
85.02929	1.2
85.06593	0.5
86.09734	1.2
87.00832	2.2
91.05477	6.7
93.07048	4.3
95.04981	1.5
95.08607	2.0
97.02901	3.5
97.06516	2.2
98.21574	0.7
98.97593	1.3
99.04459	0.8
103.05471	0.8
105.01862	0.5
105.07036	8.4
107.04959	3.7
107.08600	19.7
109.02914	4.1
109.06531	1.9
109.10168	6.1
110.09691	0.6
111.04456	0.6
111.08080	0.6
115.05466	1.6
117.07005	1.9
118.07903	0.5
119.04977	1.0
119.06087	0.5
119.08588	4.1
120.08084	0.9
121.05751	0.4
121.06499	2.2
121.10154	10.2
122.07294	6.4
123.08083	1.0
127.03923	11.1
129.07034	0.5
131.00235	0.6
131.08577	3.4
133.10136	100.0
134.10474	0.4
135.04440	0.9
135.08052	7.8
135.11670	1.6
137.09622	55.8
138.09885	0.5
143.00101	0.5
143.08633	0.6
145.04955	0.8
145.10126	1.9
147.04396	1.7
147.11673	2.2
149.09639	1.9
149.12173	0.7
149.13271	8.6
155.02039	0.4
158.10886	1.2
159.11647	0.6
161.09651	0.9
163.03888	1.3
163.14801	2.2
171.11620	0.5
173.13275	5.4
175.11180	0.5
177.00664	0.7
177.05490	0.6
191.14310	45.4
192.14717	0.4
193.12215	0.8
194.12576	0.8
211.13266	0.7
212.13620	0.9
213.03932	3.3
215.06998	0.9
229.15912	0.5
231.04875	1.8
237.00470	0.5
243.58861	0.9
259.09531	1.0
267.08914	1.2
285.09912	1.3
299.16287	0.5
301.11826	0.8
316.11447	0.8
317.17532	0.5
324.10260	0.7
324.60538	3.0
325.06403	0.5
325.10504	0.5
327.26392	0.7
333.60919	0.7
334.06845	0.6
335.18414	0.5
341.12686	0.4
403.17422	0.7
421.30746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98717	0.7
56.05024	1.0
59.10048	0.7
65.03940	1.3
69.03431	1.2
70.06594	3.6
71.05000	1.1
71.43631	0.6
71.56430	0.8
72.08144	2.9
74.06046	0.8
76.68601	0.6
82.99897	0.7
83.04986	0.9
84.04521	1.0
84.08156	4.2
85.02865	1.0
86.09700	3.2
86.23536	0.7
91.05486	11.0
101.00900	2.7
104.99052	0.7
108.08146	0.7
110.07169	0.9
119.01937	8.1
119.04949	25.4
121.02824	0.8
127.02433	1.8
129.10309	1.2
137.03003	1.7
145.03476	7.3
147.04417	100.0
148.04765	0.9
154.10567	0.6
157.03477	0.7
169.03461	10.5
171.05043	1.8
173.08141	1.7
185.03067	3.7
187.04529	12.9
197.02948	1.8
205.03520	1.5
205.05566	1.6
211.04498	0.9
215.04027	2.2
221.02951	0.9
223.04451	1.9
229.05602	7.7
231.03603	1.0
239.04063	0.8
247.04451	1.4
247.06703	2.7
255.05127	1.0
257.04959	1.4
273.06119	1.8
275.06128	32.9
289.12677	0.7
291.07001	1.1
293.07114	4.2
301.05673	1.3
316.08990	1.0
319.06567	1.1
333.08157	1.1
343.06909	0.9
361.07690	2.2
379.08890	4.0
385.07645	1.6
397.09988	0.9
403.08600	3.4
403.25385	0.8
421.09912	8.2
421.16824	13.8
421.25275	0.8
421.29019	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.4
56.05025	6.2
56.96551	2.7
61.01138	4.2
65.37705	1.3
68.05024	7.4
69.03462	1.6
70.06573	2.0
70.45669	3.4
72.08158	100.0
77.77676	1.7
80.11546	1.6
81.04716	1.4
84.08126	2.7
91.05479	7.3
96.04478	3.1
98.97594	1.7
104.05328	2.2
113.07134	59.8
117.36885	1.3
119.01933	2.3
119.04942	15.5
119.28133	1.4
123.05620	1.9
134.04550	1.6
145.03476	2.4
146.71471	1.3
147.04414	59.1
158.09996	1.8
161.07468	19.9
168.67003	1.7
169.03488	2.7
172.04265	2.1
189.06946	29.3
233.11337	37.4
237.05138	1.5
243.11700	4.2
275.06094	6.5
288.13779	7.8
314.55774	1.4
335.10095	3.3
403.08475	1.8
421.09967	6.0
421.16727	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03429	0.6
57.07080	1.8
67.05515	4.1
69.03432	2.9
69.07066	2.7
70.06590	0.9
70.91177	0.9
70.91507	1.6
75.57349	0.7
79.05495	6.5
81.03418	1.5
81.07064	100.0
85.02911	7.5
87.00836	3.5
91.05465	1.2
93.07060	1.1
95.08616	16.9
97.02900	4.7
99.04469	1.6
105.01882	6.6
105.07037	1.0
108.79789	0.7
109.02895	1.8
109.10167	1.4
116.07105	1.7
119.08681	0.8
119.46828	0.7
127.03934	6.8
137.13272	25.3
145.04958	5.9
159.02963	2.0
203.63618	0.8
223.65150	0.7
231.05019	4.0
240.67201	0.8
249.06041	1.8
262.22543	0.7
266.10159	0.8
362.82620	0.8
420.28171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.78880	0.7
57.07064	1.1
60.98545	0.8
64.84267	0.9
70.95178	1.2
70.95501	0.7
71.08642	1.0
86.82011	0.7
99.04457	3.9
111.04432	3.0
115.72154	0.8
125.05989	10.1
129.63274	0.9
131.82161	0.7
141.05505	5.3
153.05469	100.0
167.93970	0.8
179.62135	0.8
184.71767	0.7
201.44296	0.7
348.33444	0.9
365.72693	0.8
381.93622	0.8
419.35226	40.3
429.13931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35850	0.6
54.35230	0.7
57.03440	18.5
61.02926	7.6
61.67136	0.7
65.03933	0.9
69.03436	15.2
69.72791	2.2
69.73204	1.8
71.01353	2.1
72.04552	0.6
73.02920	40.0
81.03432	1.6
85.02910	26.7
87.04478	1.6
91.05484	100.0
92.05820	0.8
97.02895	40.4
99.04453	1.4
105.07014	1.6
108.31623	0.6
109.02882	2.5
115.03930	26.1
117.07043	1.3
127.03922	10.1
129.07004	1.6
132.06551	1.4
133.04987	7.3
133.06502	2.1
144.06531	0.9
145.04976	9.5
145.06490	1.4
149.06067	1.1
150.07603	3.2
153.06970	0.8
157.06560	1.5
159.08029	0.9
161.04437	3.3
163.06023	5.5
171.08028	1.3
175.07503	1.7
176.37863	0.7
180.08672	1.5
187.07594	1.1
193.04987	1.1
205.08652	2.0
217.08679	4.3
223.06039	3.2
235.09715	3.0
241.07018	4.1
253.10706	6.9
259.08246	3.5
259.65509	0.6
295.10370	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	419.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41338	4.0
50.69607	3.9
53.03936	7.7
55.01881	6.8
55.05516	47.9
65.03931	4.7
67.05503	64.9
69.07074	34.5
70.81730	11.1
73.06529	5.1
79.05492	57.9
81.07058	75.3
83.04976	4.8
83.08609	31.3
85.06535	10.8
91.05482	76.1
93.07047	60.6
95.04970	11.6
95.08602	39.5
97.06537	12.2
97.10175	14.0
103.65858	3.8
105.07037	70.3
107.04953	17.2
107.08581	26.8
109.06505	13.2
109.10158	15.6
111.08076	11.9
115.05433	6.2
117.07032	54.3
119.04920	5.8
119.08575	36.5
121.06506	14.9
121.10153	18.5
123.08102	11.1
128.06232	12.3
129.07004	52.2
129.07912	5.6
131.08574	100.0
133.06464	8.8
133.10098	23.8
135.08072	6.6
135.11678	9.8
137.09647	5.6
141.06992	17.7
143.08559	51.6
145.06500	12.8
145.10135	36.3
147.08037	11.8
147.11710	7.6
149.09616	11.2
149.13245	5.4
149.72583	4.2
153.06949	4.0
155.08557	38.2
157.06531	4.7
157.10136	25.8
159.11717	20.5
167.08582	11.9
169.10117	20.0
171.08070	9.3
171.11714	16.5
175.11150	7.0
177.12735	9.9
179.08699	5.2
180.09233	4.8
181.10126	14.7
183.11734	10.2
185.09575	5.4
185.13281	7.3
189.73244	4.2
193.10138	5.2
195.11697	20.2
197.13324	9.1
199.11221	5.9
199.14845	6.6
207.11818	6.8
209.13284	12.1
211.14854	7.9
213.12694	10.4
215.14401	6.3
221.13344	9.9
223.14798	18.8
225.12866	6.4
225.16411	7.8
227.14284	4.6
231.13852	5.1
235.14827	8.9
237.16496	5.1
239.14301	11.4
241.15848	8.5
247.16887	12.3
253.15862	6.1
257.15372	9.5
267.17438	5.6
271.16916	6.1
289.71835	3.9
323.23672	12.6
333.22098	20.6
341.24835	15.2
351.23199	64.8
355.26370	4.4
365.24759	4.8
369.24258	72.2
373.27637	7.0
383.25870	11.4
387.25336	19.3
401.26892	88.9
419.27908	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	419.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01862	6.7
55.05269	3.9
55.05516	52.5
57.03426	3.5
65.03945	3.1
65.87016	2.9
67.05509	77.2
69.06733	3.3
69.07073	36.7
70.95840	3.6
70.96165	5.0
71.04993	6.8
79.05498	64.1
81.03408	4.6
81.07060	88.2
83.04978	7.8
83.08619	39.8
85.06516	7.8
86.22234	3.0
91.05485	83.7
93.06480	3.7
93.07047	65.7
95.04973	11.8
95.08616	55.3
97.06509	10.6
97.10164	12.4
99.08107	4.2
102.04645	2.6
103.05497	4.2
105.04504	2.9
105.07035	72.0
107.04910	4.6
107.08593	32.7
109.06519	9.1
109.10164	19.1
111.08068	11.0
115.05436	9.0
117.07023	63.2
119.04954	3.0
119.08592	35.7
121.06493	11.4
121.10136	25.6
123.08048	10.1
125.09632	6.6
128.06212	11.0
129.07019	57.7
131.04915	3.2
131.08574	100.0
133.06462	12.4
133.10136	26.7
135.08025	10.2
135.11707	11.5
137.09595	4.4
139.11182	9.6
141.07013	25.8
141.09113	4.0
142.07773	6.0
143.08571	45.8
145.06512	7.8
145.10139	37.3
147.08109	12.9
147.11676	11.9
149.09596	11.6
155.08571	37.6
157.06471	2.7
157.08846	4.7
157.10103	27.0
159.08058	5.3
159.10376	3.3
159.11659	17.7
161.09601	4.9
161.13287	3.7
163.11192	7.4
165.06909	3.1
167.08549	14.9
169.10120	25.3
171.08092	2.8
171.11697	19.6
173.09573	5.1
173.13310	4.8
175.09694	5.8
175.11186	8.7
175.14799	3.4
177.12755	7.1
179.08574	7.1
181.10126	21.9
183.11678	13.1
185.09592	4.8
185.13286	16.1
187.11159	5.7
189.12776	3.0
193.10165	8.2
195.11717	18.5
197.13274	8.5
199.11070	4.4
199.14749	5.9
201.12744	3.5
203.14415	3.8
205.12117	4.6
207.11653	8.9
209.13371	16.4
211.14886	7.8
213.12924	5.0
221.13364	14.2
221.15126	3.8
223.14830	24.6
225.12714	5.8
225.16399	4.2
227.14293	4.5
233.15335	12.3
235.14787	10.9
239.14314	11.6
241.15909	9.5
245.15340	5.2
247.17015	4.6
249.16380	3.3
253.15820	9.0
257.15302	7.0
257.99597	3.0
259.16895	3.5
271.16800	9.1
285.18332	5.6
305.22653	4.3
315.21207	4.3
323.20367	3.6
323.23523	13.2
327.23270	8.6
333.22189	29.1
341.24655	15.7
351.23163	71.8
365.24911	4.3
369.24310	33.5
373.27441	4.1
383.25815	7.1
387.25281	18.8
401.26865	38.5
419.27899	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	419.2792
Annotation	Hippolide F
Peak:m/z	Relative Intensity
53.03937	4.7
55.01869	6.9
55.05271	2.6
55.05514	29.6
57.03433	2.2
57.07066	1.7
59.04984	1.3
65.03944	2.8
67.05507	45.0
69.03423	2.0
69.06781	1.3
69.07071	15.4
71.04985	4.1
71.57397	1.8
79.05495	39.6
79.07658	1.5
81.03403	4.0
81.06580	2.5
81.07059	43.5
83.04977	4.3
83.08628	13.2
85.06516	4.4
91.05485	46.1
93.07050	38.0
95.04977	15.2
95.08608	24.6
97.06535	4.6
97.10175	17.2
103.05463	1.9
105.03430	1.9
105.04509	2.3
105.07034	38.1
107.04960	23.9
107.08603	22.0
109.06545	6.9
109.10144	10.9
111.08084	2.9
115.05465	3.1
117.07018	26.0
119.04951	3.0
119.08584	21.5
121.06524	14.7
121.10148	10.8
121.64709	1.2
123.08060	6.1
125.09653	11.2
128.06207	4.9
129.07001	22.9
131.04935	2.1
131.08572	33.2
133.06505	12.1
133.10123	15.3
135.08035	7.0
135.11679	5.1
136.16402	1.3
137.09602	2.8
141.07011	7.7
143.08574	21.8
144.09293	1.4
145.06512	13.9
145.10118	15.9
147.08070	10.1
147.11649	4.4
149.09605	4.9
149.13181	2.1
151.11153	1.8
153.06950	1.8
153.09073	1.8
155.08585	8.5
157.06465	3.3
157.10141	13.8
159.08073	5.5
159.11685	6.6
161.09613	4.7
161.13242	2.6
163.11223	3.6
167.08559	4.0
169.10139	7.9
171.08018	3.7
171.11713	6.5
172.37425	1.3
173.09630	2.6
173.13234	3.7
175.11255	1.8
177.12732	2.2
181.10092	5.3
183.11682	6.2
185.09636	1.4
185.13249	6.2
187.11189	2.0
187.14845	2.0
189.11247	3.0
189.12729	2.6
191.14450	1.7
193.10062	1.5
195.11716	3.9
196.96721	1.4
197.09758	1.6
197.13217	4.3
199.14819	5.1
201.12766	3.2
203.14330	2.1
205.12367	1.8
207.11646	3.9
209.13217	3.6
211.11195	1.7
211.14764	1.4
213.12724	4.1
215.14253	2.3
217.15865	5.6
218.11809	3.5
219.13843	1.7
221.13184	2.3
223.14897	3.5
225.12790	1.8
225.16530	1.5
227.14302	2.6
231.13841	3.7
235.14874	2.3
239.14204	3.3
241.15765	1.8
243.13654	1.8
245.15291	2.2
247.14731	1.4
249.14813	1.7
257.15396	4.1
259.16974	3.5
261.14850	1.4
263.16379	3.5
271.16974	3.1
275.16498	2.3
285.18506	1.8
303.19263	1.5
305.22415	1.5
309.11649	1.5
323.23666	3.9
333.22168	5.9
341.24756	9.9
351.23193	28.2
359.25729	1.7
369.24268	79.2
373.27365	3.5
377.16287	2.0
383.25739	7.5
387.25333	32.5
391.28177	2.1
401.26852	74.8
419.27893	100.0
420.28171	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	419.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66117	0.5
55.05506	0.8
56.05042	3.5
56.96564	5.5
60.04527	3.5
67.05498	1.7
69.07067	0.6
70.06596	3.9
71.08640	0.6
72.08163	3.1
74.06087	1.1
79.05489	1.8
80.05018	0.9
81.07045	2.2
82.06568	1.2
84.04501	0.8
84.08146	56.7
85.08448	0.5
86.09704	6.7
91.05470	3.7
93.07072	0.6
94.06561	0.7
95.08593	1.2
95.21513	0.5
96.08143	1.6
97.02876	0.7
97.08904	1.0
98.09711	5.6
98.97590	1.5
106.06570	7.5
106.96416	0.5
107.06889	4.0
107.08603	0.7
108.08102	0.6
110.07095	0.7
110.09703	4.1
111.04451	0.5
114.09158	1.4
116.98614	0.8
119.04940	3.1
119.08610	0.6
120.08086	0.7
121.10138	0.6
122.09736	1.3
123.10467	0.6
124.11243	1.2
124.99140	0.7
129.10229	0.6
136.11185	2.6
138.12772	0.6
142.12253	1.7
143.00182	1.2
145.57397	0.5
147.04404	11.0
148.04736	1.3
151.00516	0.5
152.18427	0.5
154.12289	1.5
158.99802	0.8
161.01207	1.2
169.03239	1.0
172.13332	1.8
173.12909	1.7
176.14334	1.0
184.13347	0.7
186.99213	0.8
187.14430	1.7
190.12279	0.8
196.03784	0.5
196.13466	1.0
201.12392	1.1
204.17542	1.5
208.13373	0.7
209.01447	0.6
213.04320	0.6
214.14384	0.5
215.13928	1.2
216.17468	1.2
219.01776	1.0
219.13379	0.8
221.01260	0.7
227.08607	1.9
228.06419	0.7
234.18417	1.2
237.03055	0.5
239.02368	1.5
240.02621	1.9
251.21272	1.7
257.03384	0.6
264.19547	0.8
275.21219	5.1
275.76331	0.6
287.21051	1.2
291.06512	1.0
293.22253	14.1
305.22256	0.7
309.97876	0.5
311.23288	3.7
316.02197	0.6
323.23340	1.6
324.21985	0.8
324.65137	0.5
329.24405	19.1
333.06445	0.5
334.03091	1.9
341.24139	1.3
342.22662	0.8
359.25522	0.6
365.24545	0.9
375.16272	1.1
383.25629	1.1
401.13693	1.0
401.26340	2.5
414.07877	0.6
419.15289	3.9
419.27545	100.0
420.27792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01872	21.4
55.05508	21.8
57.03440	33.6
57.07077	58.8
60.04517	14.0
61.02915	10.2
64.02245	4.0
67.05512	24.9
67.75253	4.0
68.99762	4.8
69.03431	41.7
69.07072	30.5
69.83872	17.3
69.84277	9.5
70.06577	15.2
71.04981	11.6
72.08149	13.2
73.02910	10.2
79.05489	9.5
81.03419	42.8
81.07053	57.9
82.67732	4.1
83.04973	19.8
83.08606	13.6
84.08138	10.7
85.02907	75.0
85.06086	4.4
85.06532	26.7
86.09705	40.1
87.00836	32.8
91.05444	6.7
93.07025	16.7
95.04977	12.6
95.08587	18.0
97.02898	63.2
97.06514	18.1
99.04448	19.5
99.08089	55.1
105.01868	18.4
105.07016	9.7
106.04257	3.9
107.08573	7.3
109.02856	19.3
109.06502	14.2
109.10161	49.5
111.08065	14.0
115.03915	7.5
116.10960	4.0
117.01868	4.1
117.07020	5.0
120.08131	6.8
121.06516	4.6
121.10137	5.4
123.08062	5.2
123.09110	3.6
127.03088	5.6
127.03928	65.1
127.11220	51.4
131.08572	4.2
133.10112	5.9
135.08044	15.3
136.07529	5.3
136.82588	4.8
137.05945	5.0
137.09593	7.0
137.13237	11.1
145.04956	29.4
147.02895	4.4
147.04419	5.8
149.09578	3.8
151.11147	11.7
153.12732	53.8
153.87222	4.4
155.14314	100.0
157.95512	4.6
159.02867	11.9
159.08009	4.6
167.06938	5.5
169.12253	6.0
171.13791	32.2
173.12868	21.0
177.12804	4.4
193.12209	6.3
195.13861	14.4
219.13402	8.8
231.04994	18.8
235.13171	5.9
269.08438	4.7
330.10809	8.7
339.14288	8.8
381.85281	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01862	18.8
55.05516	15.0
57.03434	17.0
57.06830	5.7
57.07082	66.0
60.26223	5.7
61.02919	6.3
67.05499	10.8
69.03421	19.5
69.07088	13.0
69.81728	14.9
69.82115	13.2
73.02932	10.3
81.03427	28.7
81.07069	50.4
83.04975	13.6
84.08151	6.8
85.02919	44.7
85.06532	20.5
87.00830	22.5
93.07034	6.1
95.04950	8.0
95.08627	9.0
97.02896	29.3
97.06514	8.0
99.04498	10.3
99.08106	66.1
105.01864	9.5
107.08577	8.4
109.02893	21.2
109.06539	12.3
109.10155	16.4
111.08131	13.8
113.12088	5.9
119.08525	6.0
127.03933	37.1
127.11205	9.7
135.08090	11.9
137.13237	7.3
145.04970	31.0
151.11195	17.5
153.12772	28.6
155.14307	100.0
159.02905	19.7
169.12309	6.0
171.13817	14.3
177.12776	6.7
193.12318	6.8
195.13855	15.1
235.13229	8.7
306.44949	4.9
367.82620	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	419.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24811	0.5
53.03946	0.6
55.01857	1.0
56.96578	1.4
67.05484	1.7
69.03415	1.6
69.07070	1.2
69.42177	2.0
69.42596	2.0
70.06586	0.8
71.05006	1.0
72.08172	0.8
73.02914	0.8
79.05500	2.7
81.03412	1.6
81.07038	2.2
84.08146	0.7
85.02898	3.8
85.06564	0.6
86.09699	1.2
87.00819	1.1
91.05479	1.5
93.07043	1.8
95.04964	0.6
97.02883	1.5
97.06526	2.9
98.97587	1.3
99.04397	0.5
105.01894	0.9
105.07027	1.4
107.04949	2.7
107.08578	2.0
109.02882	1.6
110.07146	0.7
113.04821	0.7
117.07023	1.6
119.08602	0.8
120.08129	0.6
121.10153	0.9
127.03918	2.2
131.08554	1.4
135.11711	1.3
137.05875	0.7
144.05705	0.8
145.05029	0.9
145.06496	0.8
147.04451	0.7
153.12692	1.1
159.02997	0.8
159.08012	1.1
167.07051	6.8
173.05930	1.4
179.07022	0.5
186.79382	0.6
187.07541	1.5
188.20612	0.5
195.06639	0.8
205.08629	2.1
205.21844	0.6
208.05206	2.5
210.06880	0.7
215.06985	0.6
217.08643	2.7
219.08051	0.7
220.08813	0.7
231.08064	0.9
236.04570	1.1
247.07535	0.8
247.09691	1.9
248.08261	0.8
254.05777	1.5
264.07770	0.7
269.08041	3.4
276.08038	0.7
282.08890	0.8
291.09961	0.8
307.09552	0.8
315.08646	13.0
323.04901	1.0
330.10986	16.7
331.11844	1.3
339.12231	0.7
343.11783	1.4
351.12418	1.2
369.13397	1.0
383.14948	3.1
401.16116	1.0
419.18884	100.0
420.19241	2.3
433.09503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23332	1.3
56.96562	2.0
64.69656	1.1
67.05503	1.9
69.03431	1.9
69.52126	4.0
69.52557	4.3
70.06591	2.5
72.08138	1.3
73.02922	1.6
79.05488	2.4
81.03406	4.1
81.07040	2.8
83.04980	1.9
84.08126	1.4
85.02901	4.7
86.09694	2.3
87.00803	1.3
91.05467	3.5
93.07050	2.8
95.04948	1.1
95.08598	2.1
97.02895	2.8
97.06526	5.4
98.97540	1.2
105.07052	2.3
107.04967	3.6
107.08585	2.7
109.02871	2.3
123.04424	1.4
124.99128	1.3
127.03895	3.3
129.07001	1.8
131.08559	1.7
135.11771	1.8
145.06503	1.8
147.04416	1.8
147.11761	1.5
153.12750	1.4
156.05733	1.6
159.08054	2.3
167.07056	16.5
171.13844	1.3
173.05995	2.8
194.81447	1.1
196.05545	1.2
205.08615	3.9
208.05193	4.8
217.08661	3.3
219.10106	1.5
222.36745	1.2
231.08095	2.0
239.16466	1.4
247.07471	1.8
247.09723	2.9
248.08409	1.8
254.05774	2.3
267.06436	1.6
269.08072	7.2
282.08826	1.7
287.09421	1.3
291.10138	2.5
305.38818	1.4
314.04620	1.4
315.08655	27.0
316.08942	1.8
319.09766	1.3
323.05234	2.5
324.10574	1.6
330.10974	40.2
330.14880	2.0
339.11975	1.7
343.11746	3.4
351.12238	3.2
383.14700	5.9
401.16150	3.4
419.18872	100.0
433.09415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01860	2.4
55.05512	13.5
56.05029	3.9
56.96561	2.6
57.03440	9.7
60.04494	2.6
67.05505	19.0
69.03419	3.4
69.07066	13.3
70.06590	4.0
71.04992	6.0
71.57280	3.0
72.08128	3.1
73.02943	2.3
79.05489	19.2
81.03421	9.1
81.07056	22.0
82.81820	2.0
83.04984	6.1
83.08620	7.0
84.08162	3.0
85.02924	4.7
86.09672	2.6
88.07616	4.7
90.05523	3.9
91.05500	13.1
93.07038	15.3
95.04977	6.2
95.08615	8.8
97.06532	9.1
97.10167	7.0
98.09662	3.5
98.97591	3.0
100.11284	3.4
105.07017	9.8
107.04945	3.8
107.08593	9.6
109.06515	5.6
109.10159	6.0
111.08108	3.0
115.07569	8.6
116.10739	100.0
117.07013	5.1
119.08579	8.9
121.10138	7.1
123.08069	2.4
125.09598	5.8
129.07039	3.8
131.08554	7.0
133.06473	2.0
133.10136	3.5
137.06027	1.9
145.10202	2.2
147.08046	3.1
147.11670	3.2
149.13326	2.1
157.10170	2.8
159.11676	3.5
160.13338	7.6
161.09636	2.3
171.11714	2.7
175.11188	2.5
176.14511	2.2
177.12715	2.1
178.29565	2.0
189.11232	3.1
199.72682	2.0
200.44130	2.1
223.13284	1.7
225.55453	1.7
226.75476	2.0
227.12802	6.5
262.81570	2.7
269.17438	3.5
273.18442	6.8
281.03784	2.2
291.19608	3.0
297.16962	5.7
365.23199	3.0
367.17734	2.9
383.24564	2.7
417.16193	2.4
418.27750	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	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47989	2.5
53.03941	8.7
55.00788	3.0
55.01872	4.6
55.05514	22.6
56.05030	8.3
57.03447	14.3
62.94596	2.8
67.05510	37.0
69.03439	6.4
69.07066	18.5
70.06590	6.2
71.04991	5.2
71.57367	5.4
73.02955	2.6
79.05495	36.3
81.03405	9.1
81.07061	38.8
83.04962	3.4
83.08614	8.2
85.02888	3.4
86.09715	3.2
88.07637	4.4
90.05564	29.4
91.05478	28.4
93.07048	34.3
95.04963	11.4
95.08604	15.8
97.02888	5.0
97.06537	12.7
97.10155	9.5
98.09689	4.6
100.07616	2.7
100.11240	3.9
102.05574	3.0
105.07005	17.3
107.04963	5.2
107.08582	25.6
109.06540	18.0
109.10149	10.4
115.11780	2.8
116.10733	100.0
117.07031	7.0
119.08573	10.7
121.06525	6.1
121.10142	11.2
123.08044	7.1
125.09626	10.4
129.07002	4.9
131.08571	10.7
133.10130	8.3
135.08032	7.2
135.11674	8.4
143.08560	5.8
145.10139	10.1
147.04387	4.5
147.08061	3.2
147.11630	7.2
149.09637	5.7
149.13185	3.1
159.11636	5.3
160.13362	9.1
163.11185	4.1
167.07076	4.8
168.07362	4.2
175.11276	3.8
176.14371	3.4
189.11188	7.9
193.12228	5.9
227.12790	7.9
230.14706	2.9
245.13841	4.3
245.18968	3.4
269.17487	3.7
273.18442	10.8
291.19507	12.0
297.17050	6.9
307.15509	5.4
323.61060	2.9
333.13315	3.6
351.14410	7.6
355.17432	3.2
365.23132	8.0
418.27948	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01868	7.9
55.05512	37.3
57.01718	3.2
57.02010	3.1
57.03429	6.9
59.05007	4.9
60.51193	2.7
63.43633	2.6
65.03934	3.0
67.05172	5.0
67.05509	75.3
69.03411	5.6
69.07074	17.4
71.04980	9.0
71.08636	99.4
71.57339	4.6
79.05492	32.1
81.03423	100.0
81.07059	41.4
83.05005	16.6
83.08621	48.7
85.02913	23.8
85.06528	4.3
87.04439	5.5
91.05488	42.2
93.07056	26.3
95.04965	39.6
95.08598	13.4
96.29544	3.1
97.02914	5.2
97.06532	6.9
97.10168	19.7
99.08098	58.9
101.88489	3.5
105.07030	29.6
107.04958	9.7
107.08598	15.4
109.06519	11.8
109.10162	62.6
111.04457	4.1
111.08092	25.0
116.10738	25.9
117.06982	3.6
119.08582	28.4
119.59320	2.9
121.10139	21.9
123.08035	4.4
125.09662	14.6
129.06998	17.3
129.57425	2.9
131.08577	23.2
133.06494	3.9
133.10143	21.8
135.11652	3.5
137.09639	8.5
140.85016	2.6
145.04987	6.1
145.10103	5.5
147.08107	8.0
147.11720	21.7
149.09660	18.2
155.10638	16.6
157.10162	23.5
163.11145	4.3
169.98277	3.0
173.11751	62.8
175.11217	25.2
187.13298	78.6
193.12254	76.6
204.16008	11.8
225.14937	4.6
341.13370	3.1
418.38977	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96154	0.4
56.96560	2.5
63.45492	0.5
67.82092	0.4
69.03406	0.5
69.88374	2.0
71.55684	0.4
72.08163	0.7
73.02887	0.5
73.06554	0.9
75.54657	0.6
79.05508	0.8
83.06178	0.6
84.08144	0.6
85.02876	0.7
86.09701	2.0
91.05499	1.0
93.07040	1.6
98.97604	0.8
102.41698	0.4
103.05476	5.3
107.04974	2.1
120.08109	100.0
121.08447	0.6
131.04918	3.0
134.73009	0.5
143.00185	0.7
147.04408	2.1
149.06006	1.9
157.82768	0.4
158.99686	0.6
161.01259	0.7
166.08646	56.5
167.08960	0.8
196.57901	0.5
220.04515	0.5
234.81796	0.5
239.02292	2.2
257.03406	0.9
279.34332	0.5
362.85846	0.5
413.07343	1.1
418.17661	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	418.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
56.05014	3.2
56.96572	26.4
69.03426	2.2
69.55202	14.7
70.06585	6.1
72.08138	5.9
74.06083	4.9
79.05511	2.1
84.08149	3.8
85.02905	8.2
86.09721	9.9
87.70253	1.9
89.06038	67.1
91.05468	7.0
92.29065	2.0
92.86966	2.0
97.02892	3.0
98.20797	3.4
98.97581	5.5
116.98603	2.4
119.04949	9.0
124.99117	5.7
129.10223	3.9
133.08618	31.0
137.48788	2.0
140.98645	1.8
143.00182	9.8
147.04431	30.0
151.09630	3.9
158.99753	1.9
161.01280	5.6
170.99603	2.9
176.89650	2.1
177.11240	5.1
186.99168	2.2
189.00641	2.3
194.99788	1.9
195.03304	3.2
201.12393	3.7
213.04398	3.4
219.01849	2.3
221.01292	5.1
237.02837	2.8
239.02188	20.5
239.14903	100.0
257.03311	10.6
307.05023	6.1
315.01700	3.1
331.04816	2.4
333.02850	6.0
333.06360	2.6
344.76593	2.2
377.05530	3.1
395.06522	3.9
413.07690	13.5
418.67252	2.2
419.15228	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25930	0.8
53.03922	0.9
55.01858	2.5
55.05502	3.5
57.03436	1.7
67.05511	5.7
69.03415	1.1
69.07071	2.2
69.35528	7.1
71.04990	0.9
73.02908	0.7
75.13093	0.8
79.05489	6.9
81.03397	2.5
81.07058	8.6
83.04943	1.0
83.08626	2.3
85.02885	1.3
85.06559	1.1
91.05487	7.5
93.03426	1.1
93.07046	5.7
95.01322	1.9
95.04955	3.2
95.08586	2.8
97.02850	1.5
97.06522	1.4
105.07053	4.6
107.04944	3.2
107.08595	2.6
109.02870	1.3
109.06509	2.0
109.10178	1.4
115.05452	1.5
116.10745	12.7
117.06998	3.2
119.04904	1.3
119.08564	3.3
121.02869	1.2
121.06492	1.0
121.10167	1.2
123.04445	1.4
123.08053	1.2
124.28375	0.9
125.09579	1.2
128.06218	1.1
129.06998	3.3
131.04927	2.1
131.08592	4.2
131.66954	0.8
133.06493	2.1
133.10130	2.7
135.04436	2.3
135.08051	1.3
135.11699	0.8
139.03918	1.0
139.11191	0.8
141.06943	1.2
143.08586	1.3
145.06473	3.6
145.10143	3.9
147.04424	2.1
147.08069	1.5
149.02391	1.6
149.09695	1.1
151.03879	1.9
155.08554	1.6
157.06471	1.8
157.10120	2.2
159.04433	1.5
159.08130	1.3
159.11810	1.0
160.13318	1.7
161.05957	3.0
161.09610	1.0
163.03827	2.5
165.01830	1.2
166.07838	1.2
167.03520	0.9
167.08505	1.0
169.10051	1.6
171.08006	1.4
171.11714	1.9
173.05969	2.4
175.03885	3.7
175.11201	2.0
177.05487	1.2
177.12723	0.9
179.03265	1.0
179.46373	0.8
181.06406	1.1
183.08051	0.9
183.11789	1.3
185.05960	1.3
185.09554	1.2
185.13261	1.1
187.03844	2.2
187.07472	1.5
187.11229	1.6
189.05432	2.7
189.65933	0.8
193.12109	1.4
195.08093	1.7
195.11627	1.4
197.09537	1.4
199.07416	1.1
199.11157	1.4
201.05470	1.2
202.05927	0.9
203.07048	1.0
203.10684	1.7
205.04927	1.5
205.12346	0.9
209.09505	1.0
213.12805	1.2
215.10654	2.2
217.04927	2.6
217.12329	1.1
219.06493	1.0
221.04451	8.2
223.11163	3.0
225.09070	1.7
225.12738	1.0
227.10660	1.5
231.10072	1.1
233.11752	3.8
235.05966	1.4
241.12253	4.5
251.10596	2.4
253.12318	0.9
255.10095	1.3
259.09702	0.9
259.13297	2.9
268.22217	0.9
269.11707	5.0
277.10696	2.2
279.10065	1.6
287.12808	8.2
289.10773	1.3
291.12189	0.8
297.11237	3.9
303.12134	1.5
305.13739	3.6
315.12289	14.6
333.13345	100.0
334.13623	1.6
351.14365	12.5
365.15961	24.5
383.17032	7.2
418.27731	3.6
430.18909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03923	4.5
55.05498	16.5
62.83785	4.2
67.05506	33.5
69.07060	15.3
71.05002	6.5
71.43153	9.3
79.05510	24.3
81.07060	51.6
83.08617	10.5
83.99440	4.6
91.05468	37.2
93.07041	48.7
95.04925	9.7
95.08616	35.1
97.06563	6.2
97.10151	5.5
103.05489	5.3
104.83725	4.4
105.07041	75.3
107.08598	54.0
109.06521	100.0
109.10153	30.0
111.08074	7.5
113.00016	24.2
117.07001	19.0
119.08581	82.2
121.06551	7.4
121.10143	74.2
123.08076	9.9
123.11679	13.4
128.06219	10.0
129.06993	16.4
131.08586	45.1
133.06505	5.9
133.10147	75.6
135.08086	23.4
135.11705	36.2
141.07001	7.5
142.07802	18.0
143.08562	24.5
145.06525	6.1
145.10120	50.5
147.08067	13.0
147.11649	20.0
149.09583	8.7
149.13206	4.8
154.94186	8.9
155.08530	18.9
156.09355	11.5
157.10110	36.9
159.08096	8.8
159.11674	25.9
161.09612	17.4
161.13255	9.3
163.11195	8.7
165.06970	5.5
167.08562	10.5
169.02596	18.0
169.10106	33.6
170.10899	6.1
171.11665	29.7
172.95203	6.8
173.09578	13.0
173.13281	24.1
175.11191	15.2
175.14816	16.7
177.12666	5.6
178.07695	4.7
180.09247	7.8
181.10101	22.0
183.11714	27.8
185.09598	10.5
185.13258	18.6
186.96721	7.4
187.11203	12.4
187.14761	18.5
189.12709	6.5
192.09343	7.1
193.10106	20.8
194.10887	7.7
195.11702	21.2
197.09650	11.5
197.13268	19.5
198.10239	5.3
199.11147	16.1
199.14827	19.9
201.12799	9.7
205.10179	6.6
206.10901	8.0
207.11719	17.3
208.12445	5.4
209.13235	18.2
211.11177	13.4
211.14772	11.3
213.12715	13.3
213.16370	8.6
217.10182	6.0
219.11731	11.2
220.12448	6.6
221.13315	11.1
223.11215	7.3
223.14970	12.6
225.12801	11.4
231.17378	5.9
233.13240	13.0
234.14037	5.2
235.14783	17.8
237.12772	8.9
237.16461	8.9
239.17911	8.8
241.19499	8.4
245.13284	8.3
247.14880	6.4
249.16389	5.1
251.14325	7.4
251.17928	7.4
253.15871	8.2
259.14685	7.8
261.16440	5.8
263.17877	5.6
273.16388	8.6
277.16037	10.5
279.17484	8.3
281.19006	6.8
295.17117	9.7
295.20154	5.2
297.22073	5.7
301.19479	6.3
319.20694	5.5
341.22662	7.7
342.58502	4.8
357.25784	8.6
359.23682	10.3
366.10474	5.6
375.26788	14.9
389.27487	4.6
399.26892	34.0
417.27917	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2637
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
53.03938	4.8
55.01876	12.4
55.05516	92.1
55.11493	2.1
57.03429	4.4
57.07055	3.0
59.05011	2.6
65.03929	2.7
67.05509	56.5
69.03419	6.2
69.07068	21.7
69.39031	17.0
71.05007	2.8
79.05498	63.6
81.06645	3.7
81.07067	41.6
83.04963	6.8
83.08623	33.7
85.06527	5.8
91.05483	30.5
93.07054	19.7
95.04995	3.7
95.08603	12.6
97.06486	2.4
97.09538	3.6
97.10175	71.1
98.98458	6.3
103.05493	18.9
105.03381	5.8
105.07035	17.9
107.04969	5.5
107.08597	40.7
109.06554	3.6
109.10189	15.0
111.08103	5.1
113.38894	2.0
115.05453	6.3
116.06223	2.4
117.07033	28.2
119.08564	10.1
121.06455	2.8
121.10128	8.7
125.09634	58.8
128.06206	1.9
129.07005	25.4
131.04922	5.8
131.08578	21.3
133.06500	4.4
133.10077	3.5
135.08092	18.5
137.09642	2.7
141.07001	8.9
143.04924	3.0
143.08574	12.3
145.06483	11.5
145.10139	6.5
147.08029	3.9
149.09636	7.4
153.09113	9.1
155.01059	8.7
155.08592	10.8
157.06543	4.7
157.10110	5.8
157.12250	2.7
159.08089	2.8
159.11765	2.2
161.09660	2.5
166.91716	2.3
167.08553	3.8
169.10162	11.6
171.10225	4.4
171.11729	7.3
171.34819	2.5
179.08543	2.3
181.10056	3.3
183.11726	5.3
185.09575	3.0
185.13231	6.4
187.14812	9.0
189.11232	22.2
194.90231	2.1
195.11678	9.4
197.13242	14.4
199.11147	4.9
203.12762	20.3
205.82971	2.1
207.11636	2.9
209.13412	2.3
211.14838	2.9
213.12729	10.4
215.14320	78.7
221.13293	3.1
223.11195	5.1
224.96770	2.1
225.12849	2.3
227.14316	2.8
231.13847	2.7
233.13274	2.6
233.15437	4.0
241.12254	7.9
245.15430	4.6
247.16991	6.3
255.13710	2.3
257.15378	3.4
263.23776	2.7
273.14819	6.4
285.18399	2.4
321.22107	3.8
331.20657	2.9
339.23166	5.7
349.21655	24.5
353.24380	2.5
363.22980	2.5
367.18350	4.5
367.22690	64.9
381.24228	17.6
385.23627	34.2
399.25369	100.0
400.25369	2.5
417.26251	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2636
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
53.03943	3.7
54.43612	1.1
55.01874	9.5
55.05513	69.7
57.03423	2.6
59.04997	2.1
65.03929	2.2
67.05507	35.0
69.03429	6.7
69.07072	13.9
69.91479	1.3
69.91782	7.0
71.04974	1.3
79.05497	44.0
81.07059	30.8
83.04985	5.9
83.08631	25.2
85.06557	3.3
91.05480	17.9
93.07041	14.3
95.04948	3.6
95.08599	7.8
97.06532	3.5
97.10172	49.0
103.05471	7.2
103.80923	1.6
105.03394	4.0
105.07040	12.8
107.04929	2.8
107.08591	25.9
109.06528	3.4
109.10163	12.0
111.08104	3.1
111.65417	1.3
115.05470	5.0
117.07019	17.5
119.04922	1.4
119.08572	9.2
121.10204	2.1
125.09627	44.9
128.06206	2.7
129.06998	14.3
131.04930	8.6
131.08574	13.4
133.10150	2.9
135.08072	10.4
137.09612	1.7
141.06985	4.1
143.04849	1.7
143.08580	10.1
143.10680	1.6
145.06485	10.0
145.10126	5.2
147.08072	1.4
149.09621	2.8
153.09125	4.8
155.08586	6.1
157.06548	3.6
157.10173	3.1
159.08072	1.9
159.11580	1.6
159.91214	1.3
167.08601	3.5
169.10086	6.3
171.08035	2.7
171.10201	4.1
171.11714	5.1
173.13329	2.2
175.11224	1.4
179.08545	1.9
181.10094	3.1
183.11743	3.7
185.13235	3.3
187.14874	3.3
189.11224	39.6
189.12939	1.9
195.08066	1.4
195.11710	5.0
197.13339	6.4
197.48451	1.3
199.11195	2.0
203.12810	2.2
207.11717	2.1
209.13203	1.5
211.11122	1.6
211.14833	2.2
212.77644	1.5
213.12848	7.4
213.93263	1.3
215.14328	35.5
215.16318	2.9
221.13237	3.4
223.11284	2.5
235.14917	1.8
241.12254	6.7
245.15440	3.9
247.16942	12.9
253.68576	1.3
257.15353	1.3
273.14801	15.1
321.22128	2.3
331.20590	2.2
335.40518	1.4
339.23224	3.1
349.21646	11.8
359.38510	1.5
367.22705	34.9
381.24289	14.7
385.23865	10.7
399.25330	100.0
400.25720	2.0
417.26395	57.2
418.26508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2636
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
53.03932	3.5
55.01873	8.1
55.05512	61.7
55.48943	1.2
57.03437	2.8
59.04980	2.4
65.03934	1.8
67.05170	2.0
67.05511	30.9
69.03427	6.2
69.07071	13.0
69.48015	8.3
71.04992	1.9
73.06562	1.4
79.05493	39.5
81.07060	26.7
83.04980	4.7
83.08624	30.6
86.09717	1.4
91.05489	17.3
92.05542	1.2
93.07049	15.1
94.78149	1.2
95.08614	9.9
97.06507	2.4
97.10175	70.5
98.21444	2.4
103.05460	13.7
104.10685	2.0
105.03407	4.3
105.07042	13.1
107.04956	1.9
107.08594	33.8
109.06496	1.9
109.10149	7.8
111.08105	3.0
115.05466	5.5
117.07033	20.5
119.08586	9.0
121.10147	3.3
125.09635	71.0
128.06158	2.3
129.07019	13.4
131.04910	6.7
131.08565	17.3
133.06459	4.2
133.10139	2.2
134.55171	1.4
135.08054	18.7
137.09596	2.1
141.06989	6.4
143.08542	8.9
145.06516	10.0
145.10133	5.1
147.08031	1.7
149.09650	4.0
153.07089	1.5
153.09106	16.8
155.08577	6.9
156.74850	1.5
157.06462	2.0
157.10152	2.6
157.12279	5.3
159.08031	2.8
159.11717	3.5
167.08588	5.0
169.10132	5.7
171.08089	2.3
171.10179	3.6
171.11707	3.4
183.11700	1.7
184.07355	3.2
185.11731	1.5
185.13271	2.9
187.14792	13.9
189.11227	4.9
195.11771	2.3
197.13286	11.8
199.11194	2.0
203.12782	54.2
205.90573	1.3
207.11670	1.6
209.13258	1.8
211.11293	1.7
213.12798	4.9
215.14323	100.0
223.11221	2.1
225.12794	2.3
231.13916	1.8
233.15282	3.8
235.14738	1.5
241.12283	6.1
255.18343	1.5
257.15411	1.6
259.13358	4.9
261.14856	1.3
279.66077	1.5
293.22665	1.4
321.22058	2.3
333.19113	2.2
339.23190	4.4
349.21658	13.4
367.22696	45.4
385.23737	28.4
399.25409	17.0
417.20737	2.2
417.26389	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2636
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.52702	1.6
53.03944	3.5
55.01872	14.3
55.05514	100.0
57.03418	5.7
57.07071	3.0
59.05005	3.6
65.03935	1.6
67.05506	51.1
69.03423	8.7
69.06720	2.0
69.07065	19.4
70.42037	2.2
70.42396	4.5
71.04967	1.8
73.06565	1.5
73.97195	1.5
75.35130	1.3
79.05496	64.4
81.03417	2.3
81.07059	46.5
83.04974	6.9
83.08144	2.4
83.08622	44.3
85.02899	2.3
85.06535	2.7
91.05492	28.6
93.03394	2.8
93.07047	26.2
95.04974	4.6
95.08614	16.5
95.62438	1.5
96.27097	1.6
97.06519	4.1
97.10175	81.9
98.20808	2.2
103.05480	10.5
105.03381	3.2
105.07034	25.5
107.04960	3.6
107.08598	48.5
109.06511	6.8
109.10162	12.9
111.08094	6.2
115.05460	7.0
115.53402	1.5
117.07028	27.1
119.04931	1.7
119.08591	13.8
121.06500	4.4
121.10145	4.6
123.08085	3.5
125.09634	83.6
128.06215	4.4
129.07011	18.3
131.04927	11.9
131.08571	21.7
133.06493	8.8
133.10127	5.9
135.08060	22.0
138.61172	1.5
141.07010	5.6
143.04910	2.6
143.08554	14.0
143.10634	2.2
145.06490	19.6
145.10129	7.1
147.08054	5.3
147.11601	2.0
149.09648	4.9
153.07140	2.7
153.09131	16.0
155.08553	14.1
156.09259	2.1
157.06516	6.9
157.10112	8.8
157.12257	4.8
159.08080	6.7
159.11708	2.5
165.07039	1.8
167.08572	6.5
169.10117	10.0
171.08057	6.1
171.10182	4.5
171.11699	8.3
172.08922	1.5
173.09679	3.2
173.11865	1.9
173.13255	3.7
181.10164	3.6
182.10921	2.1
183.11665	5.2
185.09624	2.2
185.13264	4.6
187.14806	12.6
189.11212	33.6
193.10107	1.5
195.11697	6.3
197.13292	12.4
199.11203	4.4
203.12773	43.2
205.10017	1.7
207.07869	1.7
207.11696	2.6
209.13156	3.4
211.14717	3.3
213.12778	11.0
215.14319	89.8
219.11838	2.2
221.13167	2.9
223.11256	4.4
223.14772	2.4
225.12801	2.2
227.14375	1.9
231.13904	3.6
233.15384	4.0
235.14958	1.5
237.12711	2.5
239.14302	1.8
241.12315	8.2
245.15446	4.4
247.17039	7.8
255.13583	1.8
257.15463	3.2
259.13388	3.8
269.15359	2.4
271.17212	2.4
273.14777	8.5
321.22281	2.2
331.20673	3.6
339.23203	6.0
349.21619	21.1
357.23965	1.9
367.22699	50.3
368.22827	2.2
371.25830	2.9
375.19763	1.8
381.24191	9.5
385.23709	28.3
399.25330	81.9
417.26379	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
56.05036	4.1
56.96548	1.5
57.03432	0.9
60.04520	1.7
67.05483	0.9
68.05034	0.7
69.03422	0.9
69.07069	2.5
69.72490	1.1
69.72899	1.7
70.06590	6.5
72.08157	22.0
74.02428	0.7
75.05598	0.7
79.05488	1.2
80.05006	1.5
81.07053	2.4
82.06580	1.3
84.04510	2.3
84.08146	58.0
85.02890	2.1
86.09708	36.8
86.10245	1.2
88.04011	0.7
91.05468	1.1
93.07038	0.9
94.06556	0.5
95.06105	0.5
95.08638	0.6
96.04495	0.7
96.08125	2.3
97.02917	1.1
97.08900	1.3
98.06026	0.5
98.09702	5.6
98.21471	1.0
98.97569	1.4
102.05540	2.9
106.06563	0.8
110.06033	0.4
110.07206	0.8
110.09682	4.7
114.09174	1.8
116.07108	1.5
120.08090	1.7
122.09669	0.7
123.10514	0.7
124.11214	1.3
127.03946	0.7
129.10229	5.8
130.04971	0.9
134.09700	0.7
136.07603	0.6
142.12274	1.7
143.11783	3.7
147.04425	2.1
147.07643	0.6
148.06071	2.9
150.12794	0.9
157.09756	1.5
157.13336	0.8
162.12772	0.9
171.11308	3.8
178.12286	0.8
179.74254	0.5
185.12827	1.0
185.16466	1.0
187.10854	0.6
189.12445	0.6
196.13258	0.7
198.14890	0.6
201.12404	1.0
203.13910	0.6
213.15987	1.0
214.14374	2.9
216.15891	0.5
219.01834	0.9
225.15997	0.9
229.15504	1.6
233.11385	1.4
236.20189	2.0
237.02953	0.7
247.12881	5.3
257.20129	0.6
258.16943	0.7
259.21713	3.6
260.14877	2.6
261.14499	6.1
270.18069	2.8
272.22357	0.7
275.21240	2.9
277.22665	2.4
293.22287	2.5
295.23721	2.5
301.22751	1.2
311.23248	2.1
329.24240	3.7
337.24924	5.7
339.22794	1.4
357.24051	1.1
373.26926	0.7
375.24887	2.1
381.23770	2.8
399.25400	2.9
408.26608	0.5
417.25970	100.0
418.26230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01857	4.6
55.05510	17.5
57.03437	25.0
57.07076	2.3
61.02924	48.3
65.03973	1.9
67.05505	60.3
68.05783	2.3
69.03428	24.9
69.07070	13.2
69.91201	1.8
70.91248	4.3
71.01340	7.9
71.04978	8.2
73.02911	22.5
75.04452	2.0
79.05493	52.3
81.03414	28.5
81.07056	33.0
83.04987	17.6
83.08606	4.6
85.02905	43.1
85.06528	7.3
87.04453	2.3
91.03954	28.9
91.05485	17.8
93.07048	53.3
95.04953	7.8
95.08589	6.8
97.02892	39.2
97.06532	20.1
97.10173	12.2
98.97581	2.2
99.04438	11.0
99.08100	3.4
101.02372	9.7
103.03938	7.3
105.07021	8.0
107.04955	2.6
107.08597	38.9
109.02876	12.4
109.06496	4.2
109.10162	12.8
111.08114	2.7
111.11742	2.8
115.03948	4.5
117.06992	4.6
119.08563	11.2
121.06499	3.2
121.10147	9.4
123.08078	1.9
125.09582	5.0
127.03917	18.3
129.05479	3.3
129.06995	2.0
130.06490	4.6
131.08528	2.8
133.10121	7.1
135.08066	2.5
135.11694	100.0
137.09512	2.1
143.08559	4.3
145.04913	6.0
145.10161	14.7
147.11673	1.9
147.49295	1.8
151.11160	2.3
153.12785	2.8
163.11189	23.6
167.06992	2.1
171.06419	1.8
181.05028	2.7
181.12242	40.4
183.06543	4.2
183.11749	2.0
199.13298	6.0
201.07585	4.6
229.14397	4.1
255.15915	94.6
263.98862	2.2
283.15390	5.1
297.16971	6.7
301.77155	2.1
325.16434	2.9
363.18063	4.2
363.75592	1.9
385.23596	3.0
399.20346	8.9
399.24945	3.3
417.21274	14.2
417.26096	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1731
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05498	0.6
56.31522	0.2
56.96554	0.4
57.03418	0.3
61.02924	0.3
67.05487	0.8
69.03419	0.6
69.07048	0.4
70.06593	4.7
71.57151	0.4
72.08157	0.7
74.06083	0.3
79.05495	0.5
81.03405	0.7
81.07050	0.6
84.04501	0.3
84.08129	0.7
85.02896	0.9
86.09704	5.3
88.03981	0.3
91.05479	0.8
93.07030	0.7
95.08596	0.4
96.08094	0.3
97.02889	0.8
98.97570	0.7
101.00887	0.3
101.03494	0.2
105.07008	0.3
107.04946	0.5
107.08596	0.7
109.02890	0.3
109.10161	0.6
110.07129	0.3
111.04456	0.3
112.08732	0.3
115.08691	0.3
116.07084	4.6
117.06956	0.2
119.01905	0.3
120.08115	0.9
123.04459	0.2
127.03937	0.4
131.01921	0.3
132.10144	0.2
135.11726	0.4
143.11803	0.7
145.05037	0.2
151.11182	0.5
155.01906	0.3
158.99615	0.4
167.07054	3.1
173.05927	0.5
181.04964	0.6
201.12341	0.5
211.11914	0.5
221.05048	0.8
224.08034	0.4
228.14574	0.4
233.08118	0.3
251.12886	0.5
260.09149	2.1
260.59213	0.5
265.89188	0.3
285.13062	1.3
303.12952	0.7
373.17838	0.4
387.14532	0.4
417.17310	100.0
418.17484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1735
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.96557	0.6
62.11208	0.4
67.05499	0.6
68.06304	0.4
69.03428	0.4
69.07060	0.6
69.14491	0.4
70.06597	2.3
71.08008	0.7
75.70571	0.4
79.61381	0.4
81.03400	0.6
81.07053	0.5
84.08160	0.5
84.20358	0.4
85.02908	0.8
86.09698	2.5
91.28052	0.4
93.07036	0.5
97.02881	0.8
105.07072	0.4
107.08633	0.6
109.02838	0.5
116.07102	1.8
120.08149	0.5
151.11209	0.4
167.07072	3.5
173.06007	0.4
181.04982	0.9
260.09216	0.8
283.05981	0.7
284.06339	0.8
285.06573	2.1
285.12839	0.7
301.09451	0.5
311.08060	0.4
337.07306	0.5
339.07462	1.1
373.18063	0.5
381.08414	0.5
387.14471	0.6
399.09860	0.4
417.17346	100.0
418.17780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01863	3.1
55.05523	5.7
56.05021	3.9
56.96566	1.3
57.03436	1.4
58.06607	6.6
60.04510	4.3
67.05523	7.3
68.05033	2.5
69.03420	3.8
69.07051	4.1
69.72495	5.0
70.06583	7.2
71.05000	2.4
72.04555	1.3
72.08146	2.2
73.02924	6.4
79.05481	6.4
80.05003	3.6
81.03416	3.6
81.07057	8.5
82.06564	1.7
83.04965	2.5
83.08617	1.5
84.04482	4.4
84.04921	1.0
84.08147	2.1
85.02883	1.8
85.06549	2.8
86.06081	13.3
86.09718	2.2
87.04472	1.4
88.07632	3.4
91.05461	4.5
93.07062	6.8
94.06577	5.1
95.04954	1.8
95.08610	6.3
96.04495	4.7
96.08110	3.0
97.02869	1.4
97.06520	4.3
98.06046	3.0
98.09682	2.3
98.97575	2.2
100.07631	1.0
102.05524	1.7
102.96870	1.8
103.05454	1.2
105.07034	4.8
107.08569	4.0
108.04463	1.1
108.08110	3.1
109.06506	1.2
109.10173	3.2
110.06042	3.7
110.09711	1.3
111.08060	3.8
112.07580	1.9
114.05539	17.2
116.07092	2.0
117.07022	2.7
119.08569	2.7
119.89401	1.0
120.08105	3.1
121.06536	1.3
121.10145	2.4
123.04430	1.2
123.08060	1.5
123.11674	1.6
124.07565	2.4
125.09647	1.0
130.08627	1.8
131.04898	2.9
131.08557	2.8
132.06535	2.7
133.10147	1.8
135.11639	2.7
136.07576	1.7
137.05966	1.5
140.07045	2.2
144.10191	4.0
145.10123	1.7
147.04425	2.8
147.11673	1.4
148.11177	1.4
152.07051	1.4
158.08167	6.9
160.09686	4.1
161.09576	2.0
163.11163	2.9
166.08688	1.4
167.07042	9.0
170.08026	1.2
173.05933	2.1
181.04968	2.8
182.08162	1.8
185.95375	1.1
186.07632	49.7
189.09135	1.7
194.08142	1.3
196.09729	2.3
211.16946	1.5
215.07068	1.5
237.18611	1.3
250.21687	1.7
259.09692	1.0
260.20419	1.1
262.21765	1.2
264.23300	1.1
272.20129	1.2
274.21664	1.3
283.05994	1.9
284.06485	2.1
288.23157	1.4
290.21188	5.3
292.22824	2.7
304.22556	1.7
308.22202	2.6
310.23840	3.0
313.06943	1.8
316.22696	3.9
318.24399	1.6
320.22366	1.3
322.23639	2.9
323.55426	1.1
326.23230	2.4
328.24835	5.0
334.23816	3.3
337.06949	1.3
338.23453	1.7
346.25897	11.1
352.24808	8.9
362.22934	8.0
370.25940	24.6
380.24344	25.2
381.09906	2.0
384.11426	1.2
388.26968	22.6
397.74280	1.0
398.25418	100.0
399.10672	1.3
400.67453	1.2
416.14813	3.0
416.20050	6.7
416.26389	50.2
417.11298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
59.57063	3.0
69.64174	13.6
72.47934	3.1
85.02936	3.2
107.20567	2.9
123.69658	3.1
169.91805	2.7
198.45972	2.8
415.10019	100.0
415.18973	8.2
416.20261	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	415.1025
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03949	0.3
55.01872	0.9
55.05500	0.2
56.05032	0.4
57.03439	0.7
60.04513	0.4
61.02916	0.3
65.03942	0.3
67.05500	0.5
68.05016	0.2
68.99466	0.2
68.99781	0.7
69.00056	0.1
69.03429	0.7
69.90108	0.5
70.06586	0.3
72.08146	0.2
79.01840	0.2
79.05484	0.4
80.05029	0.2
81.03421	1.0
81.07048	0.4
83.01346	0.1
83.04971	0.2
83.08643	0.1
84.04520	0.1
84.08141	18.6
85.02905	1.6
86.09698	0.3
91.05482	1.2
92.99791	0.2
93.03393	0.2
93.07027	0.2
94.06579	0.2
95.04976	0.9
95.08611	0.3
96.08115	0.1
97.02899	0.6
97.06509	0.1
97.08927	0.2
98.09679	0.1
98.21454	0.1
103.03950	0.2
103.05489	0.2
105.03388	0.1
105.07001	0.3
107.04964	0.5
107.08578	0.2
109.02852	0.9
109.06520	0.2
110.09672	0.4
111.04443	0.3
112.11240	0.3
115.05434	0.1
116.07071	0.1
119.04943	3.6
119.08560	0.2
120.08114	0.1
121.02866	7.4
123.00787	0.5
123.04435	0.3
124.11225	0.1
126.09151	5.1
127.03908	0.2
129.05479	0.1
131.04941	0.5
131.11993	0.5
132.12805	0.1
133.02893	0.1
133.10175	0.1
135.04448	0.6
137.02354	0.5
137.11952	0.1
141.01814	1.4
145.02832	2.5
145.03961	0.1
146.12515	0.2
147.04407	1.4
149.02344	0.7
149.09633	0.2
153.01834	0.5
155.12997	0.5
155.62090	0.1
159.04402	0.4
163.00252	0.3
163.03900	4.3
164.13550	0.2
165.01830	15.0
166.15839	0.1
167.03404	0.6
169.02829	0.2
171.04443	0.3
173.02428	0.3
175.03903	0.4
177.01819	0.4
177.05507	0.6
178.99715	0.1
179.03377	0.5
179.08614	0.1
180.17407	0.1
181.04958	1.2
181.06458	0.2
183.02888	3.7
183.07993	0.2
184.03139	0.1
187.03902	2.2
189.01845	0.7
190.02596	0.3
190.99760	0.4
191.03403	1.8
193.05052	0.2
193.07088	0.1
194.19016	0.2
195.02895	0.2
195.08058	0.2
197.00769	0.1
198.47939	0.1
199.03903	0.2
203.03357	0.7
205.04970	1.1
207.02930	0.4
207.08133	0.1
209.00832	0.2
209.04416	0.3
213.05527	0.2
215.03371	1.0
217.04904	0.2
221.04477	0.1
222.18507	0.1
223.21706	0.4
229.04982	0.6
231.02914	0.6
233.04568	0.7
238.06183	0.1
239.07068	0.3
241.08542	0.1
242.05768	0.3
243.02850	1.3
250.21771	0.2
253.08510	0.3
255.06622	0.5
261.03973	0.8
263.06998	0.3
263.21237	0.2
266.05499	0.1
267.06516	2.6
267.09433	0.2
268.07138	0.1
269.04443	0.2
270.05225	1.3
271.06009	6.8
272.18521	0.2
273.03857	0.3
273.23337	0.3
277.08691	0.3
278.21112	0.2
279.06534	2.1
280.07254	0.4
281.04883	0.5
281.08078	11.0
282.05249	0.2
282.08453	0.2
283.05994	100.0
284.06519	2.6
289.08548	0.4
290.19943	0.1
291.06512	0.4
291.24197	0.3
293.08011	0.8
294.05112	0.9
295.06012	8.5
295.09613	2.7
296.06674	0.2
296.22137	0.2
297.03922	1.0
297.07581	3.1
305.08069	3.3
307.06052	2.5
307.09491	0.3
308.06775	2.6
309.04074	2.1
309.07526	32.1
310.07889	0.6
311.05457	1.0
311.08954	0.2
313.07056	3.7
319.06195	0.2
319.17810	0.3
320.06766	0.4
321.07559	2.9
321.11166	0.2
322.08304	0.1
323.05701	0.8
323.09097	15.6
324.09726	0.2
325.07007	0.7
327.26453	0.9
328.26788	0.2
331.06082	0.1
333.07541	4.2
335.05463	0.7
335.09134	0.2
336.06244	0.2
337.07034	47.7
338.07434	1.0
349.07043	12.2
350.07477	0.4
351.04224	0.2
351.08585	3.0
355.08347	0.5
355.26062	0.5
361.07053	10.3
362.07150	0.3
367.08109	22.8
368.08432	0.4
371.16669	0.2
379.08115	20.2
380.08472	0.4
397.09171	22.6
397.26822	0.7
398.09534	0.5
406.20441	0.2
415.10233	24.8
415.28018	11.2
416.10666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.8
57.06863	1.1
57.07080	12.2
58.06596	1.9
67.05492	2.1
69.07069	28.2
70.43130	1.1
71.08637	8.0
74.39350	1.1
81.07054	4.9
83.08619	23.4
83.09112	1.4
85.10160	3.9
87.04473	1.5
91.05476	1.2
93.07057	2.4
95.08617	3.3
97.10179	17.9
99.16106	1.2
102.05539	11.8
104.07108	100.0
107.08572	1.8
109.10141	1.6
111.11726	7.5
119.08588	3.0
121.10098	1.4
125.13270	3.3
135.11658	1.8
149.13274	1.5
151.01158	1.2
171.78839	1.3
212.20059	1.5
267.19757	1.4
275.27356	2.5
293.28354	8.7
396.34686	19.9
414.36188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.1
57.72099	3.2
67.05510	12.0
69.07063	7.0
71.08627	12.2
71.20231	3.2
71.57118	4.3
71.57525	5.6
79.05484	15.1
81.07071	18.1
83.08613	5.0
88.99152	3.2
91.05470	8.6
93.07034	15.3
95.08594	14.6
97.06510	4.2
98.12315	4.1
99.08093	9.4
105.07068	4.5
107.08574	13.7
109.10179	9.1
119.08598	20.0
119.98203	3.4
121.10122	7.2
131.08574	4.1
132.93648	3.3
133.10220	4.0
135.11690	9.4
147.11699	6.2
149.13290	4.8
151.11212	6.7
161.13275	4.3
164.55600	4.3
166.45348	3.4
179.14320	22.8
266.63901	7.1
277.21518	18.7
319.22784	4.8
321.68182	3.8
351.21118	6.7
351.25287	100.0
370.30396	10.4
396.26169	4.3
397.16568	8.1
414.26212	4.3
414.31580	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.5
56.96576	2.1
57.07074	1.7
64.01413	0.7
65.03934	1.0
67.05511	5.4
67.39859	0.7
68.05021	3.3
69.03418	3.1
69.07059	3.5
70.06597	34.1
70.21474	2.8
71.04992	2.1
79.05503	4.4
80.04970	0.7
81.03416	1.6
81.07066	7.5
83.04973	2.5
83.08606	2.4
84.08157	2.0
85.02856	1.7
85.06538	2.1
87.04487	1.3
91.05495	5.6
93.07052	8.8
94.06541	1.1
95.04967	3.0
95.08603	5.3
96.08149	5.0
97.06530	2.9
98.06034	1.1
98.20782	0.9
98.97592	8.4
99.04467	1.0
100.07640	10.2
103.05473	6.5
105.07034	12.4
106.06523	1.1
107.08610	8.1
108.08121	2.7
109.06526	5.6
109.10145	4.7
113.06003	0.8
114.05530	3.6
115.05462	1.0
116.07104	2.1
116.98640	2.4
117.07040	4.3
119.04916	0.9
119.08589	16.0
120.08118	4.3
121.06477	0.8
121.10133	4.0
122.09689	4.3
123.08068	2.7
125.05982	1.3
127.00623	1.0
128.06201	2.1
128.07076	12.5
129.07014	3.0
130.07806	1.7
130.08716	1.0
131.04938	14.5
131.08569	8.5
132.05232	1.6
132.08087	1.1
133.10132	6.5
134.09637	2.3
135.08069	2.8
136.11234	3.3
137.05994	1.6
137.09613	1.8
141.06990	1.2
142.07791	3.0
143.08601	7.1
144.09311	1.5
145.10136	13.8
146.09641	1.5
147.04401	1.2
147.08078	2.0
147.11665	6.0
148.11230	3.8
149.09616	1.3
151.03960	1.1
154.08621	3.2
155.08586	2.3
155.10632	1.2
156.09364	2.9
157.10135	10.6
158.10875	1.2
158.99693	2.8
159.08029	2.1
159.11693	4.9
160.11234	1.2
161.09550	0.9
161.13246	1.5
162.12793	3.7
163.07547	4.1
163.11200	2.1
165.09131	3.5
166.08675	3.6
167.08568	2.2
168.10231	27.0
169.10175	2.9
170.10919	0.9
171.11707	6.5
173.13289	3.1
175.11218	4.4
177.00642	1.5
178.08641	6.0
181.10043	1.8
181.12289	2.4
182.11824	1.3
183.11697	4.2
185.13290	4.2
186.12695	1.2
187.14842	1.3
189.12888	1.3
190.15878	2.6
191.06935	1.2
192.10255	2.8
194.11839	6.0
195.11711	3.3
196.12552	0.8
197.13297	4.4
198.14114	0.9
199.14928	1.7
201.12904	0.8
203.14323	3.0
208.12515	0.9
209.13322	2.7
211.14888	1.0
213.16261	1.0
215.14360	2.9
221.13338	1.7
221.15372	15.1
223.14819	3.7
232.13322	1.2
232.90862	0.9
234.14957	4.2
246.14828	2.0
258.14908	1.1
260.08432	0.9
261.04675	0.9
265.19540	2.7
273.18335	1.0
293.21262	1.1
298.17953	1.2
299.20142	2.1
301.21756	0.9
312.19482	1.2
313.20337	1.1
352.26431	1.3
356.22284	2.4
370.27499	7.5
396.25372	3.7
414.26410	100.0
415.26935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2642
Annotation	Yesodine
Peak:m/z	Relative Intensity
52.42473	0.6
53.03961	0.6
55.05519	2.9
55.18791	0.6
57.07071	1.7
57.46008	0.6
65.03944	0.8
67.05506	4.6
68.05045	3.0
69.03423	2.1
69.07059	2.3
70.06597	31.4
70.22108	1.1
70.22524	2.2
71.04993	1.6
79.05513	3.9
80.05023	1.4
81.07053	5.4
82.06544	1.0
83.04972	1.8
83.08611	1.4
84.08123	1.9
85.02902	1.1
85.06551	1.8
87.04477	1.3
91.05487	6.6
93.06481	0.9
93.07050	7.6
94.06576	1.4
95.04960	2.4
95.06116	1.0
95.08609	3.9
96.08142	3.7
97.06523	3.1
98.06056	1.6
98.20704	0.6
100.07632	8.8
103.05419	0.7
105.07040	10.5
106.06503	0.7
107.07423	0.6
107.08592	7.3
108.08123	1.9
109.06514	5.2
109.10155	3.4
110.06052	0.9
110.09676	1.0
111.08095	0.7
113.09641	0.6
114.05511	3.3
115.05515	1.3
116.07077	2.0
117.07011	2.4
118.06567	0.7
119.04922	1.0
119.08594	14.9
120.08132	4.3
121.06530	0.7
121.10152	3.4
122.09705	2.9
123.08089	2.2
125.09647	1.4
128.06242	1.0
128.07085	11.4
129.07018	2.8
130.07784	1.2
131.08583	11.7
133.09158	0.7
133.10103	4.9
134.09650	1.5
135.08055	1.6
135.11763	0.9
136.11209	3.5
137.09624	2.6
141.07037	0.9
142.07735	4.4
143.08571	7.4
144.09332	1.8
145.09044	1.1
145.10135	13.2
146.09697	1.5
147.04405	1.1
147.08072	1.4
147.11671	4.2
148.11246	4.0
149.09604	1.1
149.12021	0.8
149.13315	0.6
149.20139	0.7
151.06279	1.0
151.07556	0.9
152.07111	0.7
154.08662	0.8
155.08594	2.7
156.09364	2.1
157.10143	10.1
158.09702	0.7
158.10898	0.8
159.08084	1.9
159.11722	4.5
160.11208	2.0
162.12849	2.9
163.11212	1.7
164.07097	1.0
165.09113	3.7
166.08604	3.0
167.08652	1.6
168.10219	26.2
169.10103	3.3
170.10944	1.4
171.11688	6.6
172.11180	0.8
173.13254	2.7
175.11166	3.3
178.08658	5.5
181.10017	1.0
181.12286	1.7
182.11920	1.0
183.11717	4.1
184.11215	0.8
185.13272	3.1
187.11240	1.0
187.14844	1.5
190.15897	1.7
192.10181	3.6
193.10089	1.3
194.11868	5.0
195.11761	2.5
197.13292	5.0
199.11279	1.0
199.14835	2.6
203.14375	1.8
203.28317	0.6
204.10126	0.7
206.11786	1.0
208.12569	0.9
209.13310	2.5
211.14929	0.8
213.16266	0.8
214.15895	1.0
215.14351	3.2
221.13345	0.7
221.15358	15.0
223.14746	3.5
225.16470	1.1
227.14342	0.7
230.11806	0.8
232.13440	1.4
233.15434	0.9
234.14879	2.6
244.13387	1.0
246.14893	1.4
252.17363	0.7
258.15027	1.3
260.16281	0.8
263.18039	1.0
265.19537	2.9
272.16434	1.3
281.19077	1.4
285.54144	0.8
298.18240	0.8
299.20132	2.3
301.21774	1.4
312.19742	1.1
328.24863	1.0
332.17819	0.6
352.24689	1.2
356.22192	2.0
370.27261	6.1
396.25287	3.9
414.26413	100.0
415.26770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2641
Annotation	Yesodine
Peak:m/z	Relative Intensity
53.03940	1.6
55.05500	3.5
56.96557	2.0
57.07066	1.7
67.05507	5.8
68.05025	2.2
69.03427	4.5
69.07068	5.1
70.06594	37.5
70.13379	3.2
71.04970	2.8
72.08159	1.2
73.02911	0.9
79.05492	5.6
80.05003	1.3
81.03452	1.1
81.07056	7.1
82.06580	0.9
83.04963	2.6
83.08595	2.2
84.04526	0.8
84.08141	2.0
85.02924	1.8
85.03375	0.7
85.06544	2.0
86.06072	5.5
86.06511	0.9
87.04478	4.8
91.05484	8.0
93.07043	10.2
94.06564	2.2
95.04980	2.7
95.08602	7.5
96.08113	5.3
97.06512	2.8
97.10177	1.1
98.06065	4.3
100.07631	9.7
104.07113	3.9
105.07035	14.7
107.04993	1.0
107.08595	9.2
108.08111	2.1
109.06528	5.9
109.10144	5.4
110.05989	0.9
111.08087	1.0
112.07593	1.5
112.11266	1.1
114.05518	3.6
116.07072	2.3
117.07010	3.2
117.75446	0.7
119.04906	1.7
119.07803	1.2
119.08595	16.9
120.08123	4.4
121.06481	1.5
121.10141	5.3
122.09665	2.9
123.08050	2.4
124.07540	1.4
125.05978	1.2
125.09614	1.6
128.06247	1.3
128.07089	14.9
129.06999	3.6
131.08574	9.3
133.10139	9.8
134.09636	2.2
135.08040	3.0
135.11702	1.9
136.11203	4.6
136.94179	0.8
137.09558	2.0
141.06970	1.8
142.07774	5.0
143.08546	8.9
144.09332	1.4
145.10124	16.7
146.09575	1.1
147.04324	1.8
147.08031	2.8
147.11705	6.0
148.11246	5.0
149.09618	2.0
151.06371	1.0
151.07489	0.9
154.08627	2.7
155.08577	2.5
155.10680	1.1
156.09338	3.2
157.10136	10.9
159.08118	0.9
159.11668	3.3
160.11174	1.6
161.09619	1.2
161.13208	1.1
162.12756	4.1
163.11166	3.0
164.07051	0.9
165.09091	4.1
166.08618	2.6
167.08612	1.3
168.10222	28.6
169.10092	4.0
170.10959	1.8
171.11737	7.1
173.09579	2.9
173.13251	4.4
174.12782	0.9
175.11147	3.1
178.08632	5.3
179.14346	1.0
181.12225	2.1
182.10829	1.7
183.11725	4.2
185.13287	3.9
186.12805	2.0
187.14879	1.2
188.28453	0.8
190.15898	2.6
192.10185	2.9
194.11882	4.7
195.11659	3.9
197.13257	5.7
198.14903	9.4
199.14870	2.5
203.14340	2.2
206.11702	1.1
209.13231	3.5
211.14763	0.9
215.14323	1.5
221.13376	1.1
221.15355	18.6
223.14825	3.0
225.16322	1.2
232.13322	2.0
234.14842	3.6
244.13380	1.2
258.14877	1.5
265.19476	3.5
268.20612	1.0
270.14975	1.1
272.18533	2.7
293.09222	0.8
299.19998	1.8
301.21701	1.3
305.08527	1.6
312.19562	1.0
313.20270	0.9
327.26413	1.4
352.26266	1.7
356.21936	1.8
370.27545	7.4
386.25418	1.2
396.24506	4.4
414.26349	100.0
415.26743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05507	3.3
56.96563	1.0
57.03456	1.4
57.07074	2.0
59.04983	0.7
62.62616	0.5
62.64692	0.6
64.38226	0.7
67.05508	5.3
68.05030	3.0
69.03429	2.9
69.07056	2.0
70.06596	37.0
71.04995	1.6
71.57460	1.0
72.08151	1.0
79.05494	4.4
81.03397	1.5
81.07060	6.3
82.06550	0.8
83.04976	2.6
83.08608	2.6
84.08141	2.8
85.02913	2.2
85.06548	1.9
85.09624	0.6
86.06073	1.8
87.04454	1.8
91.05483	7.2
92.73270	0.6
93.07040	7.9
94.06562	2.0
95.04958	2.6
95.08578	4.0
96.08151	3.8
97.02893	1.2
97.06539	3.0
98.06039	2.4
98.97573	1.1
100.07627	8.2
103.05487	0.7
104.07082	1.1
105.06403	0.8
105.07043	13.3
107.04918	1.0
107.07434	0.7
107.08610	6.5
108.08117	2.6
109.06522	3.9
109.10172	4.5
109.55759	0.6
111.04423	1.0
114.05541	5.3
115.05401	0.8
116.06299	1.0
116.07097	2.9
117.07038	4.4
119.08585	18.2
120.08099	3.6
121.06515	1.6
121.10158	4.4
122.09679	3.3
123.08072	2.8
125.09633	1.2
128.06258	1.5
128.07094	11.5
129.07025	3.5
130.07771	1.4
131.08589	8.2
133.10136	6.2
134.09657	2.8
135.08047	2.5
135.11703	1.4
136.11230	2.7
137.09621	2.3
141.06941	1.2
142.07771	3.1
143.08563	7.7
144.09314	1.9
145.09045	1.1
145.10132	15.6
146.09671	1.7
147.04456	0.8
147.08047	1.7
147.10571	1.3
147.11647	4.8
148.11201	4.6
149.09625	1.4
151.06305	1.2
151.07477	0.7
154.08661	1.8
155.08591	1.5
156.09346	3.1
157.10130	9.5
158.09677	0.6
159.08096	1.3
159.11703	3.8
160.11279	1.4
161.09566	1.6
162.12842	5.4
163.11211	2.4
164.07069	1.4
165.09145	4.3
165.12787	0.7
165.79588	0.6
166.08617	2.5
167.08568	0.9
168.10234	23.0
169.10133	4.0
171.11684	4.6
173.09737	1.5
173.13263	2.6
175.11188	3.2
178.08598	5.3
179.08638	0.7
181.10136	1.0
181.12241	2.4
182.10794	1.2
183.11678	4.3
185.13264	2.4
186.12793	1.0
187.14854	0.9
188.14310	1.1
190.15948	2.4
192.10257	2.1
193.10179	0.9
194.11827	3.8
195.11710	2.8
197.13283	5.0
198.14864	1.1
199.14815	2.4
201.12846	0.9
203.14328	2.3
206.11911	1.2
207.11774	1.0
207.13847	1.0
208.12436	1.1
209.13405	1.5
212.14296	0.8
215.14204	1.5
221.15367	11.2
223.14900	2.6
225.16428	1.0
226.15933	0.8
232.13342	1.2
234.14951	2.9
241.37106	0.7
244.09613	0.9
244.13367	1.0
246.14879	1.0
258.14923	1.6
259.15656	0.9
263.18048	0.8
265.19495	2.9
299.20059	1.4
301.12997	1.0
301.21405	1.0
312.19519	1.2
356.21982	1.0
370.27451	9.4
390.77274	0.7
396.25397	5.3
414.26410	100.0
415.15613	1.9
415.26843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05498	1.9
57.03438	27.4
61.02921	11.2
67.05492	2.2
69.03077	2.3
69.03429	29.3
69.44730	9.3
70.06590	7.3
71.01349	3.3
71.04974	3.2
72.08161	2.0
73.02921	47.2
79.05470	2.3
81.03428	7.7
81.07040	1.6
83.05003	1.8
84.08137	10.8
85.02907	100.0
85.10185	2.8
86.09698	3.0
87.04447	2.8
91.03944	3.4
91.05474	2.8
97.02893	49.2
97.06518	3.0
99.04441	4.0
103.03915	1.5
109.02901	7.4
115.03931	32.1
119.04972	4.4
119.08608	1.8
123.43124	1.2
126.09112	2.7
127.03917	29.6
132.06602	1.6
133.04950	11.3
145.04964	54.8
147.04398	8.9
148.04730	1.6
150.07600	3.2
163.06017	34.9
163.07375	1.9
223.06065	3.2
233.15094	1.5
241.07066	5.8
259.08154	4.5
265.16455	8.9
283.05905	3.4
295.10205	3.7
309.07355	1.5
327.26416	2.5
396.24380	2.5
397.27072	4.1
414.25360	2.8
415.10355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
55.05492	1.1
57.03439	29.3
60.04537	2.1
61.02928	14.6
69.03432	32.6
69.07110	1.3
69.30991	4.0
69.31419	6.1
70.06593	2.7
71.01355	2.3
71.05013	2.2
73.02921	59.4
79.05502	2.7
80.04956	1.1
81.03424	6.9
81.07080	1.4
85.02911	100.0
86.78714	1.1
87.04464	4.7
91.03956	4.4
91.05481	2.4
93.07043	3.2
95.06112	1.2
95.08628	1.4
97.02899	47.3
97.06514	1.4
97.08920	1.4
99.04446	3.2
103.05467	2.4
109.02880	8.5
110.07166	1.4
110.09672	1.2
115.03942	34.5
120.08104	8.7
127.03915	26.6
131.08517	1.2
132.06558	1.3
133.04964	9.7
145.04962	52.4
147.04391	4.7
148.07581	38.1
150.07695	2.5
163.06027	29.1
163.07390	1.6
166.08626	2.2
217.06720	1.2
223.06094	1.5
241.07138	4.7
257.58463	1.1
259.08118	3.3
265.16443	4.0
276.73993	1.2
295.10370	3.6
311.51169	1.2
355.90332	1.4
396.24973	1.7
414.21359	1.3
414.26328	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	414.189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40743	5.7
70.06588	1.1
98.21479	0.9
102.44762	0.8
116.04719	1.5
138.05449	1.0
160.03709	2.2
252.07288	0.8
414.09290	2.6
414.18912	100.0
415.19147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	7.1
57.03449	33.1
61.02926	15.2
67.05524	3.9
69.03437	35.6
70.06605	10.6
70.09354	5.7
70.09741	7.0
71.01357	4.7
72.08146	3.2
72.64520	2.9
73.02923	62.7
80.92606	2.8
81.03416	5.3
85.02913	100.0
85.06554	41.9
86.09696	4.1
91.03966	6.1
91.05503	4.6
95.04987	4.5
95.06088	5.7
97.02908	49.5
98.97591	7.6
99.04491	6.3
103.07600	13.0
109.02905	5.1
112.08675	4.1
115.03948	37.4
119.04987	8.1
127.03923	31.5
133.02504	3.3
133.04057	3.7
133.04953	16.2
145.04988	51.2
147.04420	23.3
148.04799	5.3
163.06023	19.6
181.08562	3.6
197.13496	3.1
199.09628	7.2
210.03998	3.0
213.08958	3.3
219.01917	4.1
223.06097	5.1
229.10767	22.2
234.56613	2.8
237.02777	4.2
241.07222	3.9
259.08069	5.4
295.10284	11.5
414.21167	5.4
414.26715	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	413.2643
Annotation	Epopromycin A
Peak:m/z	Relative Intensity
55.05505	0.6
56.05038	2.8
56.96573	0.7
57.03431	0.4
59.60340	0.3
61.02914	0.3
65.03910	0.3
67.05506	1.6
68.05023	0.4
69.03439	1.3
69.07075	0.4
70.06603	2.3
71.04991	0.3
71.57240	0.4
72.04544	0.3
72.08167	0.6
73.02921	0.9
75.16171	0.3
79.05485	1.0
81.03419	0.3
81.07064	1.2
82.06573	0.6
83.04959	0.3
83.08668	0.3
84.04523	0.4
84.08147	100.0
85.02901	1.7
86.09705	1.6
91.05486	1.9
93.07045	2.5
94.06568	0.3
95.04977	0.3
95.08622	2.1
95.16321	0.3
96.04489	1.0
96.08143	0.9
97.02892	1.0
97.08913	0.5
98.09709	3.0
98.97594	1.9
99.04498	0.4
105.07047	1.3
106.06552	0.4
107.08594	2.3
109.02972	0.3
109.06511	0.3
109.10149	0.4
110.09702	1.5
110.97600	0.3
114.09145	0.6
115.03945	0.6
116.98636	0.6
117.07124	0.3
119.08592	1.2
120.08153	0.7
121.06490	0.5
121.10172	0.5
122.09673	0.5
123.08082	0.9
123.10475	0.4
124.11272	0.4
126.09159	26.8
127.03904	0.4
128.04257	0.3
131.08606	0.7
131.12112	0.3
133.06558	0.3
133.10179	0.3
134.09621	0.6
135.11696	1.0
136.06178	0.5
136.07623	0.8
136.11253	0.8
138.12752	0.3
145.04955	0.4
146.12535	0.3
147.04456	0.8
147.11708	0.7
147.92867	0.3
148.11206	0.4
148.93190	0.3
149.09613	0.5
150.09111	0.8
150.12836	0.9
157.10139	0.4
158.99680	0.8
159.11699	0.5
164.10738	0.3
166.12321	0.4
168.13889	0.3
177.00722	0.3
178.12277	4.0
178.15904	0.7
189.12761	0.5
192.17471	0.4
194.11809	0.9
196.13367	1.2
203.05293	0.4
204.17574	0.5
207.13878	0.4
210.14882	1.9
215.14436	0.4
237.03032	0.4
247.21831	0.5
257.20154	0.8
258.18634	0.8
263.21411	0.3
275.21222	7.6
276.19537	1.4
293.22281	2.5
311.23376	0.5
317.22229	4.6
323.11713	0.4
327.26526	0.7
335.23306	9.5
353.12659	1.5
353.24359	8.6
359.23309	0.4
369.27853	0.5
371.25403	0.8
377.24374	34.8
378.24899	0.6
395.25436	27.5
396.25702	0.3
413.21539	2.8
413.26669	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	413.2169
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
53.03946	8.7
55.01861	4.0
55.05509	10.8
55.34570	1.2
56.42486	1.1
57.03440	20.0
61.02922	1.6
65.03925	2.0
67.05507	35.4
69.03430	33.6
69.07064	8.9
69.24018	12.7
70.23907	1.3
71.01339	2.2
71.04993	8.4
71.51989	1.2
73.02907	4.3
79.05498	22.3
81.03421	42.7
81.07057	44.5
83.01295	2.0
83.04985	17.9
83.08614	9.1
85.02900	18.7
85.06550	2.8
87.04481	3.0
91.05480	18.2
93.07040	34.9
95.04961	4.9
95.08611	14.3
97.02897	24.5
97.06526	7.5
99.04443	7.8
99.08102	2.8
101.02380	3.4
103.03941	4.7
105.07018	12.9
107.04944	5.1
107.08588	15.5
109.02895	10.1
109.06499	3.8
109.10144	2.3
111.04438	7.4
111.08063	3.4
115.03922	2.0
115.19592	1.4
117.07036	8.2
119.08582	5.8
121.06515	4.9
121.10151	5.8
123.08089	1.6
123.11665	2.7
127.03920	16.1
129.05481	7.0
129.06989	2.7
131.08537	9.5
133.06506	2.3
133.10121	10.2
135.08037	2.4
135.11673	8.4
137.06029	1.8
141.06975	1.9
143.08557	1.8
145.04997	2.3
145.06487	2.4
145.10114	2.2
147.07985	1.7
147.11682	6.1
149.13258	16.5
151.11281	1.8
157.10159	2.2
159.06572	1.6
159.11668	14.2
161.13327	2.0
165.12784	2.9
171.11630	2.8
171.77158	1.5
177.12708	11.7
183.06500	2.9
191.14362	1.9
193.12183	1.3
195.13812	21.0
201.07593	2.1
201.12810	1.9
213.14865	5.5
249.14981	1.6
261.14801	2.0
269.17493	15.9
275.16498	3.1
285.14703	2.5
289.87653	1.4
297.16898	2.3
303.15793	2.4
321.17020	3.6
334.97574	1.4
339.18066	6.5
351.02777	1.7
377.19626	1.7
395.20529	6.8
413.21735	100.0
421.60980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
53.67804	2.0
55.01865	5.4
55.05519	12.5
56.96575	5.1
57.03216	2.4
57.03443	20.3
61.02940	2.2
65.03940	2.7
67.05511	40.7
69.03438	36.8
69.07082	9.7
70.06596	2.5
71.04986	7.8
73.02918	3.0
73.81535	2.3
79.05502	20.6
79.95251	2.0
81.03432	43.7
81.07066	51.1
83.04990	18.9
83.08617	7.0
85.02911	19.4
87.04471	3.5
91.05489	20.8
93.07053	27.6
94.07211	1.9
95.04972	7.4
95.08601	14.3
97.02896	20.8
97.06519	8.2
97.10189	3.0
98.97496	2.0
99.04449	5.3
103.03960	3.5
105.07030	12.9
107.04959	5.6
107.08605	18.2
109.02869	10.1
109.06496	2.9
109.10160	7.7
111.04463	6.8
111.08091	2.6
111.20467	1.9
113.05981	2.6
117.07009	10.8
119.08605	6.3
121.06515	4.7
121.10172	8.1
123.11756	3.1
124.13776	2.0
125.09666	3.9
127.03978	12.5
129.05498	7.5
129.07018	5.0
131.05084	2.2
131.08595	9.7
133.06473	2.1
133.10152	11.3
135.08069	4.2
135.11737	7.1
143.08537	3.1
145.04971	2.9
147.04457	3.0
147.11678	9.2
149.09628	2.5
149.13269	17.0
155.13046	2.7
159.11711	13.3
165.12740	2.9
177.12772	8.0
183.06573	4.5
195.13826	20.9
201.07587	2.6
206.36505	2.0
213.14888	2.6
246.10652	2.6
249.14915	2.8
269.17511	12.2
283.96027	1.9
303.15802	3.8
305.08499	2.8
339.18057	7.2
375.76559	2.4
395.20868	5.7
395.25500	3.2
413.21750	100.0
413.26105	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	413.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.2
63.45929	0.5
66.36603	0.5
69.82166	2.9
70.06593	0.7
84.08144	0.6
84.96033	0.6
87.78812	0.6
98.97577	1.4
104.38195	0.6
110.97585	0.6
112.46626	0.6
114.37785	0.5
116.98611	0.7
119.04932	0.6
122.28187	0.6
128.98647	0.6
136.06181	0.8
146.17534	0.5
147.04411	1.6
168.80501	0.6
175.17230	0.5
225.65715	0.5
239.02275	1.0
257.03333	0.7
281.03418	0.5
281.09988	0.6
287.35803	0.5
289.21085	0.6
300.50098	0.6
354.99612	0.6
413.14191	100.0
414.14508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66307	1.8
55.05265	2.7
55.05514	39.8
57.03435	4.3
58.89120	1.7
69.03421	6.9
70.06594	4.8
70.80641	2.4
70.80981	3.7
72.08133	2.3
73.02925	9.0
83.08624	100.0
84.08125	3.2
85.02897	13.0
97.02906	9.7
101.09661	85.4
109.02869	2.6
114.74698	2.0
115.03955	6.1
119.10709	40.0
120.06609	1.9
127.03928	4.0
136.06183	36.1
145.04994	2.5
147.04436	3.0
162.04109	28.7
200.09383	2.2
200.11455	2.2
281.09915	22.0
359.56345	1.8
413.26270	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01872	0.3
55.05514	3.4
56.05039	0.9
57.03446	0.4
61.02909	0.4
69.03431	1.2
69.07047	0.4
70.06590	1.4
71.56466	0.4
72.08144	0.8
73.02914	1.0
74.06087	2.4
83.08625	7.8
84.08136	2.0
85.02889	2.0
86.09705	0.7
94.04126	0.5
97.02893	1.5
98.97552	0.6
101.09663	7.7
102.05546	1.3
111.08124	0.4
115.03915	0.7
119.03548	3.6
119.10696	1.8
120.06583	8.3
127.03897	0.4
136.06189	100.0
137.04597	1.4
147.04367	0.6
162.04115	63.3
191.94371	0.4
240.00026	0.3
250.31610	0.4
268.10526	1.1
281.09933	55.6
283.50406	0.4
294.08234	0.4
322.24496	0.4
362.74438	0.4
413.14032	1.2
413.26657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.121
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
53.35897	1.9
56.95073	1.9
56.96568	6.8
62.79584	1.7
63.29329	1.7
69.03437	2.8
70.06572	8.3
72.08132	2.7
73.02890	2.0
84.08149	9.9
84.96049	3.0
85.02912	2.9
86.09723	4.5
97.02901	4.3
98.97574	21.1
110.97572	19.7
112.99139	2.3
116.98618	7.2
124.93880	2.0
126.09151	2.6
128.98598	12.5
136.06223	2.4
146.99620	2.2
147.04391	3.7
153.35410	1.8
153.49243	1.8
163.03877	2.0
170.99640	4.6
201.00807	2.2
219.01727	21.3
227.02321	1.9
237.02824	27.2
267.05423	2.9
269.07025	4.5
272.05566	3.9
287.08115	4.3
413.11884	100.0
413.26526	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	412.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.2
55.76240	3.3
67.05505	20.0
69.07082	11.3
71.57906	6.3
79.05492	13.9
81.07072	27.0
83.08627	5.8
88.07638	7.4
91.05493	14.0
93.07046	22.8
95.08611	20.8
105.07042	26.6
107.08614	19.6
117.07052	9.6
118.88232	3.8
119.08564	21.5
121.06568	4.4
121.10222	5.5
127.02119	4.4
131.08572	12.9
133.10146	10.8
135.08028	5.2
135.11739	3.9
143.08568	8.1
145.10110	11.4
145.24887	4.6
147.11728	11.9
149.09587	5.1
157.10236	7.2
159.11684	6.0
160.39243	3.6
161.13263	5.6
171.11671	7.7
173.13321	7.0
183.11653	4.8
185.13260	10.2
197.13245	5.1
221.26793	4.4
233.15410	6.5
295.20682	10.7
313.21658	25.0
327.23102	7.4
331.22626	11.8
345.24344	14.7
363.25308	100.0
413.26651	4.7
425.69751	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.5
55.05499	3.7
57.03436	18.2
59.04986	2.1
61.02645	1.3
61.02926	17.0
63.40901	0.8
67.05487	0.9
69.03431	32.8
69.52587	6.4
70.06587	1.9
71.01353	4.7
71.04986	5.7
72.04477	1.0
73.02917	79.1
78.89019	1.0
79.05483	1.7
81.03411	8.2
81.07043	2.7
83.04961	1.1
83.08614	6.7
85.02906	100.0
85.06956	1.0
86.09698	3.0
87.04457	3.7
91.03946	4.5
91.05454	3.2
93.07047	2.1
95.04982	1.0
95.08603	1.4
96.04518	1.1
97.02892	60.0
97.06541	1.3
98.21483	1.8
98.97601	2.4
99.04434	3.6
103.03918	3.2
103.05482	1.2
109.02879	8.2
109.10111	1.0
111.08063	3.2
113.09626	1.3
114.05549	1.2
115.03166	1.8
115.03938	26.4
119.08523	1.0
121.06512	1.8
123.08047	2.0
127.02962	1.5
127.03920	31.6
129.09126	1.8
131.62965	0.9
133.04970	41.8
137.09557	1.3
139.07541	4.4
141.09103	1.2
145.04961	58.7
147.04395	2.1
150.07574	4.0
153.09076	1.6
155.10715	1.7
156.69730	1.0
157.20683	1.0
163.04732	1.9
163.06018	28.8
167.10712	1.5
170.99638	1.3
179.10602	1.2
181.04924	1.2
184.07304	3.3
193.04964	2.4
197.11768	3.3
199.05893	1.6
209.11659	1.7
211.05809	0.9
215.12781	1.9
217.07050	3.3
223.05991	6.2
225.73419	0.9
227.12776	1.8
233.13686	1.7
241.07080	7.3
245.13910	3.2
249.02606	1.0
259.08139	13.7
263.14874	8.0
277.09204	3.3
295.10287	5.3
394.22144	1.4
412.20160	15.9
433.13651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01866	1.8
55.05506	5.3
57.03440	33.6
59.05002	1.3
61.02932	16.5
64.41525	0.9
67.05514	1.7
69.03085	2.0
69.03435	33.7
69.07070	2.7
70.06588	1.3
71.01351	4.4
71.05006	7.1
72.08150	1.4
73.02924	73.8
79.05495	1.1
81.03426	5.9
81.07048	1.4
82.03642	1.3
82.24690	1.1
83.08624	7.8
84.08149	6.8
84.43910	1.0
85.02911	100.0
86.09722	1.1
87.00841	1.2
87.04463	4.1
91.03949	4.1
91.05479	1.3
93.07046	2.5
95.04996	1.8
95.08609	1.7
96.04473	1.2
97.02899	58.3
97.06535	1.0
98.21481	1.8
98.97588	2.8
99.04453	4.9
101.09673	1.8
102.80224	1.0
103.03988	1.4
104.10789	1.8
105.06992	1.4
106.33768	1.0
107.08598	1.4
109.02872	9.8
109.10171	1.3
111.04395	1.0
111.08089	3.3
115.03940	44.0
123.08069	1.2
124.24781	0.9
126.09147	1.7
127.03925	28.1
129.09117	3.0
129.12727	1.9
132.06537	1.5
133.04985	15.2
135.08046	1.7
139.07559	4.1
141.09093	3.7
145.04968	47.4
147.04398	2.1
150.07620	6.3
152.05746	1.6
163.06030	22.1
167.10718	1.3
169.08597	1.3
170.99696	1.6
179.10760	1.6
184.07335	1.1
191.10654	1.4
197.11742	2.5
209.11722	2.7
215.12816	1.0
217.07260	3.3
221.19350	1.2
223.05988	5.1
226.07869	1.7
227.12811	3.8
241.07007	6.8
245.13815	5.7
259.08221	5.4
263.14902	10.2
295.10330	5.2
325.04688	1.2
334.79736	1.2
335.23221	1.2
377.24048	2.1
394.22311	2.9
395.25455	2.7
412.18997	3.6
412.68924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.9
57.03181	2.5
57.03437	24.4
61.02924	12.4
69.03086	1.9
69.03436	30.3
70.61323	3.3
70.61697	3.5
71.01360	2.0
71.04955	2.5
73.02921	48.4
81.03395	5.9
83.08611	5.6
85.02908	100.0
87.04462	2.8
91.03932	4.8
97.02895	49.5
98.97575	1.8
99.04456	3.7
101.34104	1.7
109.02209	1.8
109.02849	7.9
110.07115	2.0
115.03934	30.6
127.03919	30.0
133.04982	8.5
145.04970	56.1
150.07610	2.9
155.13039	4.4
158.91005	1.5
158.99709	2.3
163.06017	38.2
163.30420	1.8
223.06038	4.1
241.07083	7.0
259.08163	4.9
263.14902	13.2
285.84464	1.6
295.10147	4.6
366.66299	1.8
412.20221	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03306	1.3
55.01858	1.3
55.05507	2.6
57.03440	25.6
58.50397	1.2
59.05022	1.2
61.02927	11.5
69.03432	30.2
70.06584	4.7
71.01364	2.5
71.05007	2.1
71.07986	3.0
73.02922	52.5
81.03423	5.1
83.08630	3.7
84.08151	3.2
85.02911	100.0
86.09724	2.8
87.04451	3.8
91.03967	3.3
91.05463	1.4
95.04980	2.3
97.02896	46.3
98.97594	3.3
99.04456	3.5
105.07076	1.8
105.55676	1.1
105.57522	1.4
109.02883	7.2
111.04432	1.1
115.03939	29.0
119.04958	1.6
120.08102	1.8
127.03924	31.2
132.06648	1.5
133.04980	8.4
145.04968	59.9
147.04398	1.8
150.07544	1.4
155.13042	2.2
163.06023	31.3
168.27095	1.5
189.44098	1.2
189.88412	1.5
220.21242	1.3
223.06050	4.6
241.07129	3.6
259.08167	4.1
263.14914	14.3
279.80942	1.1
295.10242	3.9
319.10666	1.9
372.49850	1.3
400.52457	1.2
412.20081	3.7
412.27258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.05524	0.5
56.05040	1.8
56.96540	0.5
57.03434	0.4
60.04301	0.2
60.04531	2.3
67.05493	1.2
68.05018	1.0
69.03416	0.5
70.06588	1.2
70.84776	0.6
70.85103	0.5
70.96983	0.3
79.05477	1.2
80.05033	0.7
81.03422	0.8
81.07040	1.4
82.06582	1.0
84.04513	2.9
84.08147	2.5
85.02886	0.8
91.05486	1.1
93.07035	0.9
94.06577	3.5
95.04952	0.6
95.08603	1.1
96.08160	1.6
97.02896	0.3
97.08916	4.4
98.09693	1.3
103.05457	0.3
105.07019	1.0
106.06526	0.4
107.08608	0.7
108.08098	0.9
109.02899	0.3
109.06555	0.5
109.10167	0.5
110.09675	7.1
117.06997	0.7
119.08569	0.6
120.08119	0.9
121.10152	0.6
122.09650	0.7
124.11243	0.9
127.03925	0.6
131.08583	0.4
133.10107	0.3
134.09674	1.0
135.11710	0.4
136.11185	1.0
138.12769	0.9
145.06485	0.6
147.04413	0.4
150.12775	0.7
152.14320	0.5
159.11703	0.4
164.14319	0.8
166.16051	0.5
167.55821	0.3
176.14340	1.7
178.15915	2.6
180.17488	0.6
190.15988	0.3
192.17500	1.2
194.19025	0.5
204.17606	0.5
218.19041	0.6
220.20753	0.6
222.18538	0.6
222.22220	0.8
223.21800	0.6
224.20068	0.6
236.20137	0.4
238.21634	1.1
244.20746	0.3
247.21883	0.5
248.20129	0.6
249.23528	0.3
250.21660	5.3
251.24928	0.6
256.20770	1.5
261.23276	9.9
262.21710	1.0
263.24902	0.7
264.23230	0.4
266.21146	1.9
273.14941	0.6
273.23260	8.6
274.21683	3.6
279.24344	2.0
280.22736	1.9
291.05634	0.3
291.24304	6.3
292.22723	1.3
301.14371	0.7
303.24258	3.2
309.25363	2.9
315.24335	2.5
316.22617	0.4
321.25366	1.1
327.26511	0.5
333.25406	4.9
351.26422	2.7
369.27502	8.2
369.31888	0.6
375.17969	0.6
393.27457	12.4
396.37897	0.3
411.19791	3.9
411.28546	100.0
412.28918	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97597	0.3
55.01878	0.5
55.05516	1.7
56.96562	0.7
57.03438	0.8
61.02926	0.9
66.98307	0.4
67.05500	1.1
69.03439	2.0
69.07077	0.7
69.39765	2.9
70.06596	1.0
72.08132	0.5
72.93788	0.5
73.02924	2.7
79.05489	0.6
81.03414	0.9
81.07071	0.7
83.08620	0.9
84.04500	0.4
84.08139	2.7
84.96018	0.4
85.02913	4.4
86.09724	0.6
87.00836	0.4
91.05475	5.5
93.07040	1.2
95.04965	1.0
95.08596	1.1
97.02908	2.4
98.97590	1.6
99.04504	0.4
103.05482	0.4
105.01847	0.4
105.07027	1.0
107.04956	0.5
107.08599	1.1
109.02917	0.9
109.06547	0.4
109.10184	0.6
110.07162	0.5
110.97567	0.8
111.01836	0.4
113.07134	0.4
115.03946	0.8
116.98633	0.8
119.08564	0.9
120.08117	1.4
121.10133	0.7
122.86192	0.3
123.08072	0.4
125.09648	0.5
126.09166	0.5
127.03912	1.7
128.98599	0.5
131.04979	0.3
131.08638	0.7
132.95778	0.5
133.04947	0.9
133.10129	1.4
144.95811	0.5
145.04990	1.5
145.10086	0.7
147.11693	0.4
149.09605	0.5
158.97423	0.8
162.96790	0.4
163.03955	0.8
163.05986	0.5
167.70258	0.3
170.99657	0.4
174.96925	0.4
175.11201	0.6
177.00722	0.4
184.07446	0.5
191.14302	0.9
199.32292	0.4
216.97983	0.6
217.07318	1.3
219.01823	0.7
223.00539	0.5
234.99106	1.6
237.02840	0.7
249.02902	0.6
249.14729	0.6
301.09583	0.5
319.10675	0.8
325.03665	5.8
327.07501	0.9
351.26404	0.6
367.17352	0.4
411.19907	100.0
411.28735	4.1
412.20303	1.9
433.13806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77869	11.0
52.55714	9.3
55.05507	17.0
56.96563	16.6
57.03432	34.9
58.99922	10.3
60.04519	22.8
69.03423	54.8
70.06589	38.6
71.22701	15.2
71.23026	12.0
72.08144	16.2
73.02918	78.5
79.05509	20.7
81.03416	41.0
81.07051	83.2
82.03796	13.3
84.04494	16.7
84.08121	44.1
85.02908	75.2
86.09694	24.9
91.05482	28.4
95.04961	11.6
97.02891	51.6
99.08116	11.8
110.07163	19.9
115.03931	67.5
119.04944	36.4
120.08098	43.1
127.03907	40.4
129.10260	24.3
133.04979	39.1
136.07570	15.2
137.07932	14.0
145.04977	43.0
147.04411	100.0
148.11320	12.5
156.05432	12.4
163.06047	23.7
175.07744	11.9
190.82799	10.8
207.11334	21.8
349.21393	34.5
367.22263	41.7
411.12152	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	410.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53080	0.4
53.03941	0.6
53.21324	0.4
55.05505	1.3
66.81376	0.4
67.05515	0.6
69.03423	0.6
69.07088	0.4
70.06579	0.4
70.23524	0.8
70.23915	0.8
75.18372	0.4
79.05497	20.3
79.05965	1.0
81.07046	0.7
91.05494	1.8
92.05025	2.2
93.07052	2.1
95.04961	1.2
98.20859	0.5
103.05477	49.7
105.07044	3.6
106.06564	0.9
107.04965	22.8
117.05786	0.9
118.06560	7.9
119.07312	0.7
120.08144	0.5
121.06488	2.1
129.97072	0.4
130.06506	0.7
131.04942	16.9
131.12704	0.4
132.08092	1.2
133.08929	0.5
138.57159	0.4
146.09595	0.7
149.06015	1.2
150.43764	0.4
193.04990	0.9
202.15926	3.0
230.15413	26.7
256.46423	0.5
258.17108	0.6
262.18073	6.8
322.42172	0.4
369.19489	0.6
378.20654	26.2
379.20560	0.6
387.20462	0.5
410.23279	100.0
411.23569	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.2
56.96301	1.1
56.96566	19.4
67.05499	1.6
70.06603	1.2
71.56533	1.0
71.95252	2.0
72.08132	0.8
72.96040	0.9
73.61017	0.9
83.08609	3.6
85.02906	1.4
91.05433	0.8
93.07028	0.9
95.04943	0.8
95.08556	1.5
105.01877	1.0
110.97569	4.3
113.34578	0.7
119.01707	1.0
127.03925	1.7
128.98596	2.2
140.04326	0.8
146.99698	0.9
151.00635	0.9
155.03844	1.1
171.03314	1.6
173.04953	0.9
183.07040	1.0
185.04845	1.8
195.06929	1.5
199.06389	4.1
203.05963	1.1
207.06938	1.3
211.06425	2.0
213.07993	14.2
217.07471	4.0
221.08356	1.2
223.10065	1.3
224.08055	1.2
225.07965	4.0
229.07474	10.5
231.05431	0.9
231.09106	8.8
236.09691	0.9
237.08038	2.1
239.09589	4.4
241.11128	9.3
243.09106	2.2
247.08571	5.7
251.09541	8.2
251.11943	1.2
252.09100	1.4
253.11122	1.3
254.67593	0.9
255.08958	3.6
257.10739	2.1
259.12161	8.0
267.09222	1.0
269.10602	38.5
273.10095	1.3
287.11673	11.0
291.74948	0.8
292.12097	3.4
315.16324	1.2
333.17355	16.9
351.18457	31.0
351.22742	1.9
367.65482	0.9
369.19495	100.0
370.19751	1.2
374.20032	3.2
375.97623	1.0
378.75113	0.7
387.20541	58.4
388.20703	1.5
392.20880	1.1
410.22180	15.4
410.27512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.69686	2.8
55.05507	8.3
65.44221	2.6
67.05511	27.9
69.07076	33.0
69.34920	25.1
73.28843	2.8
77.25271	2.7
78.50417	2.7
79.05486	6.6
81.07065	56.3
83.08616	10.5
91.02581	2.8
91.05458	6.0
91.77986	3.2
93.07061	17.1
95.08612	100.0
97.10144	6.6
100.01995	3.0
105.07022	11.2
107.08601	33.4
109.10164	76.6
111.11719	16.6
119.08572	12.2
120.22055	2.8
121.10142	31.6
123.11712	34.0
133.10135	20.2
135.11726	20.7
137.13261	23.5
145.10104	4.1
147.11729	15.7
149.13264	17.6
151.14877	2.8
159.11696	4.1
161.13289	9.9
163.14857	8.4
175.14847	10.2
175.18094	2.9
177.16383	6.2
179.18106	3.6
189.16394	7.1
191.17957	12.6
203.17993	14.9
205.19446	15.7
215.18007	7.4
217.19485	7.4
229.19518	3.5
231.21103	11.2
243.21143	9.0
245.22636	10.0
257.22696	8.5
259.24210	5.9
271.24188	9.7
285.25800	7.7
299.27451	23.9
313.28986	11.4
325.28854	4.5
409.38327	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.18020	1.5
53.03934	5.1
55.01880	3.8
55.05272	1.5
55.05512	19.5
57.03424	1.4
57.07066	5.6
59.04977	3.3
59.34576	1.6
65.03920	3.1
67.05507	24.7
69.03417	6.0
69.07083	9.9
70.87965	3.7
70.88313	1.7
71.04989	2.8
73.17603	1.7
79.05499	24.4
81.03379	2.1
81.07062	36.8
83.04962	5.1
83.08593	2.3
85.06520	3.7
91.04971	2.5
91.05489	35.0
93.06473	3.6
93.07047	54.6
95.04979	49.1
95.08057	2.7
95.08614	37.5
97.06531	12.4
98.97572	7.0
103.05490	3.1
105.07038	100.0
107.04883	1.6
107.08600	31.5
109.06515	12.8
109.10166	28.9
111.08093	1.7
115.05430	3.1
116.06228	1.8
116.98620	2.2
117.07044	14.1
118.98145	2.0
119.08582	62.5
121.06518	16.8
121.10155	18.9
123.08077	20.5
123.11723	1.9
125.09723	2.5
127.11182	2.7
128.06216	7.0
129.06993	10.9
130.07788	5.9
131.08577	25.8
133.06465	5.6
133.10139	24.0
134.99648	1.6
135.08073	11.7
135.11693	3.8
137.09641	8.6
141.06995	4.8
142.07777	16.2
143.08577	21.6
144.09340	6.6
145.06522	2.0
145.10129	41.0
147.08054	15.5
147.11681	34.1
149.09610	11.0
149.56628	1.8
150.11600	1.7
151.07549	22.7
153.09129	2.9
154.07736	2.2
155.08534	8.3
156.09354	5.5
157.08896	3.1
157.10132	26.2
159.08075	7.2
159.11697	14.8
161.09605	8.6
161.13254	3.0
163.11168	6.4
165.09125	30.1
167.08620	3.5
168.09349	4.1
169.10123	17.6
170.10930	3.7
171.11671	13.5
171.48894	2.0
173.09621	4.8
173.13274	7.2
174.10419	1.8
175.11197	26.3
177.09068	5.6
179.08585	4.5
181.10063	8.5
181.12288	2.6
182.10867	2.2
183.11664	17.1
185.09633	3.1
185.13242	6.4
187.11145	4.2
187.14864	2.6
189.12718	6.1
193.10182	2.5
194.10887	3.2
195.11745	5.6
196.12451	2.8
197.13277	5.8
199.11191	3.2
199.14806	2.3
201.12747	8.1
201.16379	2.3
203.14333	14.4
207.11844	3.6
207.13841	8.9
208.12476	2.8
209.13280	5.2
209.15399	5.5
211.11272	3.4
211.14845	6.2
213.12785	3.8
215.14326	1.9
216.15125	2.4
219.13882	4.1
221.13428	3.5
221.15361	67.6
223.14888	2.5
225.12856	2.1
225.16281	1.9
229.15860	6.1
231.13786	2.2
233.13274	2.1
233.15401	3.7
234.14143	1.9
234.16182	12.2
235.14864	2.2
239.14311	1.9
243.13921	2.6
247.16908	1.9
253.15881	4.1
263.50262	1.5
282.32999	1.8
286.19266	3.9
287.20154	8.5
299.20102	2.0
300.20929	4.3
312.20624	1.8
329.21085	5.1
391.20465	8.1
391.26285	9.2
409.27359	65.8
410.27875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01873	2.4
55.05515	22.5
56.10958	1.8
57.07067	5.8
59.05005	3.5
65.03946	3.2
67.05508	16.6
69.03430	6.6
69.07069	6.7
70.74154	5.8
78.50357	2.0
78.96741	1.9
79.05505	22.2
81.03423	2.4
81.07063	31.3
83.04958	4.4
89.89552	1.9
91.05484	35.4
93.07053	44.4
95.04973	52.9
95.08607	21.4
97.06533	7.7
103.05493	3.2
105.04530	3.4
105.07039	100.0
107.08595	26.0
109.06516	13.1
109.10155	8.0
111.08108	2.8
114.44536	1.9
115.05454	4.8
116.06220	2.2
117.06999	15.7
119.08585	61.6
120.09404	2.2
121.06494	18.9
121.10151	14.7
123.08080	16.6
128.06232	4.2
129.07008	8.5
130.07758	4.2
131.08575	20.1
132.09302	2.7
133.06511	5.0
133.10150	19.9
135.08057	10.7
135.11748	3.7
137.09605	4.1
141.07034	3.7
142.07758	10.6
143.08594	17.7
144.09393	3.6
145.06458	2.8
145.10136	37.2
147.08080	16.5
147.11699	39.5
149.09625	10.8
151.07549	15.8
155.08580	7.2
156.09363	4.9
157.10120	20.6
159.08028	7.1
159.11690	11.9
159.78172	2.3
161.09636	6.0
161.13283	3.3
163.11156	3.9
165.09123	27.1
166.07710	1.9
168.09389	3.3
169.10147	8.7
171.11693	11.4
172.24614	2.1
173.09660	5.5
173.13268	7.0
175.11183	35.3
175.14893	2.7
177.09125	4.7
178.09853	3.1
181.10188	4.0
181.12253	2.8
183.11700	14.1
185.09586	2.8
185.13298	7.3
186.10547	1.8
187.11235	3.7
187.14876	3.4
189.12781	5.2
191.14246	2.3
193.10191	2.6
195.11644	3.3
196.12447	4.7
197.13440	2.8
199.11331	1.9
201.12767	14.0
203.14320	13.1
207.11771	3.1
207.13858	6.0
209.13322	4.8
211.14864	8.0
219.13818	2.9
221.13414	4.1
221.15361	70.9
227.70898	1.9
229.15942	4.8
231.11671	2.3
231.13786	3.6
234.16103	18.2
286.19406	3.6
287.20013	7.5
300.20834	6.3
329.21039	4.9
391.20850	2.2
391.26334	6.7
409.27393	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12579	1.5
53.03937	4.6
55.01854	1.8
55.05515	18.8
57.07073	6.6
57.09675	1.3
59.04994	2.5
59.26750	1.6
63.61292	1.7
64.84756	1.5
65.03934	3.1
66.41666	1.6
67.05507	16.9
69.03426	4.5
69.07069	8.8
69.17339	1.3
70.57088	4.8
70.57442	1.7
75.30380	1.5
77.03915	1.8
79.05492	24.3
81.03404	2.0
81.07059	26.9
83.04982	5.9
83.08617	3.7
85.06522	4.4
91.05485	35.4
93.06470	3.1
93.07043	46.1
93.07629	2.3
95.04977	41.6
95.08614	24.0
97.06520	6.8
97.10180	1.7
103.05487	3.0
105.07036	100.0
107.08602	23.3
109.06522	11.5
109.10165	7.1
115.05461	1.8
117.07004	11.5
119.04978	1.9
119.08582	63.1
120.09386	1.7
121.06514	17.8
121.10133	14.8
123.08092	15.1
128.06219	5.5
129.07037	7.6
130.07834	5.1
131.08563	21.0
131.55670	1.5
132.09309	1.8
133.06503	4.2
133.10155	16.8
135.08070	10.7
135.11699	4.8
137.05992	2.1
137.09633	3.8
141.06984	4.3
142.07771	10.0
143.08559	13.4
144.09355	2.4
145.10120	38.5
147.08066	16.0
147.11693	45.6
149.09639	12.3
151.07561	18.1
153.07013	2.5
155.08557	9.9
156.09349	6.0
157.10150	22.5
159.08076	6.3
159.11655	12.7
161.09601	7.7
161.13240	3.8
163.07553	1.9
163.11191	3.9
165.09109	32.0
167.08574	3.7
168.09329	3.7
169.10149	11.6
170.10928	2.3
171.11696	10.2
172.12498	1.9
173.09619	5.8
173.13280	6.6
174.10422	2.1
175.11191	31.8
177.09090	5.1
179.08604	2.6
181.10130	4.4
181.12289	1.8
182.10901	2.1
183.11710	11.1
185.13246	4.3
187.11182	3.5
187.14899	3.1
188.13852	1.7
189.12790	4.6
193.10278	2.7
195.11714	4.6
197.13271	3.7
199.11171	3.5
199.14806	2.5
201.12761	9.9
201.16377	2.5
203.14340	15.9
207.12000	2.7
207.13644	8.4
209.13312	4.4
209.15269	2.5
211.14835	5.5
213.12700	2.9
215.14442	2.8
216.15019	2.2
219.13828	6.9
221.15358	71.3
223.14825	2.6
224.82126	1.7
225.16496	2.2
229.15843	3.7
231.13756	2.3
233.15375	2.0
234.16159	19.0
239.14299	2.0
286.19244	3.6
287.20013	8.3
300.20877	6.8
306.48880	1.7
329.21045	6.0
336.43454	1.7
336.57245	1.5
384.89960	1.9
385.35245	1.7
391.26422	7.7
405.82138	1.7
409.27420	47.2
410.27884	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06955	2.5
53.03934	6.3
55.01841	3.2
55.05288	2.8
55.05518	21.9
57.07072	7.0
66.35983	2.2
66.56859	2.4
67.05515	23.9
68.78599	2.4
69.03417	9.0
69.07056	7.5
70.82253	5.6
71.04995	2.5
79.05503	27.1
80.81297	2.7
81.07063	37.7
83.04974	6.2
83.08646	3.9
85.06546	2.9
91.05488	44.3
93.07047	52.6
95.04971	56.8
95.08607	34.5
97.06528	9.8
102.22086	2.7
103.05447	3.8
105.04517	3.8
105.07037	100.0
107.04985	3.5
107.08585	27.6
109.06532	17.8
109.10142	9.6
115.05443	4.1
117.07038	15.9
117.07744	2.3
119.04990	3.0
119.07802	4.5
119.08590	64.0
121.06519	26.8
121.10139	17.0
123.08074	21.8
128.06213	4.2
129.06999	9.3
130.07777	8.6
131.08578	24.6
132.09309	3.5
133.06485	5.3
133.10159	24.0
135.08066	17.6
135.11681	6.6
137.06064	2.9
137.09595	7.9
141.06953	3.0
142.07788	14.7
143.08557	19.2
144.09370	5.5
145.10139	43.7
147.08023	18.1
147.11697	38.8
149.09634	11.8
151.07545	14.3
153.09111	2.9
155.08563	10.6
156.09322	8.4
157.10150	32.3
159.08029	4.8
159.11684	19.8
161.09605	9.5
161.13226	5.9
163.09065	2.5
163.11232	7.1
165.09128	29.6
166.07779	2.9
167.08539	3.8
168.09380	4.1
169.10132	13.6
170.10919	2.7
171.11690	11.1
173.09596	5.3
173.13310	6.1
175.11203	31.5
177.09148	4.8
178.09943	3.9
179.08577	3.3
181.10104	8.2
181.12274	3.6
182.10835	3.5
183.11674	15.0
185.13280	5.7
187.11143	4.0
187.14835	4.0
189.12646	4.5
191.14314	3.6
193.10185	3.9
195.11629	6.2
197.13216	3.4
199.11273	4.6
199.14825	4.8
201.12730	9.1
201.16391	3.4
203.14374	18.3
207.11784	5.7
207.13831	10.1
209.13264	6.8
209.15204	5.0
211.14778	7.8
213.12675	3.4
219.13786	4.4
221.13480	3.5
221.15376	80.0
223.14774	3.7
225.16365	3.4
229.16039	4.4
233.15347	3.5
234.16110	14.6
235.14873	3.0
249.16479	2.9
251.17999	3.0
253.15930	3.9
255.17444	2.6
267.17410	2.7
286.19296	3.2
287.20047	8.9
300.20822	2.4
329.20993	4.9
384.50439	3.0
391.26489	9.1
409.22452	4.4
409.27383	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83866	0.5
55.03009	0.4
55.05521	0.4
56.96569	2.8
61.96704	0.4
66.06264	0.4
67.05505	1.0
69.04556	0.5
69.07082	0.5
71.56792	0.4
71.57169	0.5
79.05487	0.7
80.45522	0.4
81.07056	0.9
95.08632	0.6
105.07042	0.6
107.08622	0.5
109.10155	0.6
109.16129	0.4
119.08583	0.6
128.98607	0.4
163.38518	0.4
185.04842	0.6
199.06592	0.8
203.98094	0.4
213.07933	0.5
229.07433	0.8
243.14452	0.5
251.09595	0.6
255.09061	0.6
267.09088	1.5
269.10751	2.1
269.13171	0.5
275.20203	0.6
285.10181	1.2
287.11813	0.5
292.12323	0.5
331.15988	0.5
335.21930	0.4
349.16995	2.6
353.21902	1.2
367.17999	4.0
390.19366	0.6
409.25647	100.0
410.26065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.05511	19.3
57.07058	10.3
59.05010	3.8
60.80141	2.8
67.05506	23.1
69.03420	9.6
69.07059	9.5
69.29913	27.6
79.05489	30.9
79.63885	2.7
81.03424	5.0
81.07056	43.6
83.04992	5.3
83.08614	4.9
85.06536	4.8
91.05485	42.4
93.07047	62.4
94.06761	3.2
95.04977	59.8
95.08615	34.7
97.06535	8.6
105.07034	100.0
107.08601	24.1
109.06525	13.1
109.10153	13.2
113.13425	2.9
117.07030	14.6
119.08592	79.2
121.06511	24.1
121.10148	20.7
123.08086	20.8
123.11656	3.8
123.19245	3.0
128.06229	4.9
129.06990	13.7
130.07773	4.6
131.08577	23.8
132.09364	3.5
133.06517	5.0
133.10115	24.1
135.08067	13.9
135.11702	5.7
137.09613	10.8
142.07796	14.5
143.08560	21.4
144.09265	5.4
145.10118	38.6
147.08035	19.9
147.11687	33.2
149.09647	10.8
151.07555	22.0
155.08548	9.2
156.09340	7.9
157.10130	25.9
158.10805	4.4
159.08081	5.4
159.11690	20.1
161.09636	13.0
161.13249	6.3
163.11159	3.2
165.09134	33.6
167.08582	3.3
168.09372	4.7
169.10178	14.9
171.02968	3.0
171.11664	11.6
172.12471	3.6
173.09622	6.6
173.13254	9.2
175.11194	27.8
175.14745	5.6
177.09120	3.7
178.41068	3.3
180.09480	3.4
181.10147	7.3
181.12119	3.3
183.11751	15.1
185.13205	5.2
187.11171	3.3
187.14867	3.9
189.12839	4.1
193.10132	4.1
195.11804	5.0
197.13217	4.9
201.12711	10.1
203.14221	14.9
207.11766	5.1
207.13795	8.4
209.13272	6.6
209.15462	3.8
211.14719	7.3
219.13927	3.3
221.15372	75.1
221.17195	2.7
229.15923	5.5
234.16136	13.3
241.15938	3.5
287.20023	8.7
299.19751	3.3
300.20773	7.9
329.21106	4.3
338.29724	3.3
391.26273	6.4
409.27335	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.4
58.54315	0.3
67.05518	0.4
71.01283	0.7
72.48989	0.3
73.20578	0.3
79.26638	0.4
81.07056	0.4
86.26478	0.3
91.05528	0.3
95.08579	0.4
127.51658	0.3
131.08582	0.4
230.32535	0.3
255.09233	0.5
265.93216	0.3
295.15121	0.8
309.16623	0.4
331.15692	0.9
349.16840	1.9
367.17978	1.1
368.18393	0.9
409.25632	100.0
410.26199	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37589	0.4
56.96566	0.9
67.05482	0.5
69.61206	1.0
69.61618	1.3
75.90890	0.3
81.07044	0.4
81.55085	0.4
93.07005	0.6
98.20769	0.9
102.95164	0.4
108.24799	0.3
140.08109	0.4
197.37720	0.4
213.08032	0.7
217.07768	0.4
229.07510	1.2
243.21970	0.4
251.16153	0.6
295.15253	0.9
309.16565	0.8
349.16849	3.3
367.17899	0.9
409.25610	100.0
410.26089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27575	0.3
55.05480	0.3
56.05019	0.4
62.78820	0.3
64.18568	0.4
67.10221	0.3
68.98613	0.3
69.03423	0.4
69.64193	1.0
69.64597	0.9
70.06577	1.0
84.08147	0.5
85.02901	0.5
86.09698	0.9
91.05479	1.0
98.20748	0.7
98.97574	0.5
103.07973	0.3
105.07034	0.4
107.76292	0.3
109.72713	0.3
120.08077	1.0
128.83981	0.3
129.10268	0.4
149.09535	0.4
199.08301	0.5
217.13747	0.3
220.23820	0.3
247.05724	1.1
247.13109	0.4
395.35974	0.3
409.11276	6.0
409.18298	100.0
410.18631	1.3
425.14606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Woodhousin
Peak:m/z	Relative Intensity
55.01866	0.3
55.05500	0.4
56.11944	0.2
56.96567	0.5
57.03453	0.3
66.55960	0.3
67.05486	0.7
69.03426	0.5
69.07075	1.0
70.06587	1.0
71.57214	0.5
72.08150	0.4
79.05492	0.7
81.03413	0.7
81.07047	0.7
83.04996	0.3
83.08619	0.5
84.04489	0.4
84.08126	0.7
85.02908	0.8
86.09692	0.8
87.00803	0.3
87.04463	0.3
91.05481	0.8
93.07043	0.5
95.04982	0.5
95.08624	0.4
97.02892	0.6
97.06541	0.5
98.97594	0.8
105.07024	0.9
107.04980	0.3
107.08578	0.6
109.02908	0.3
109.10221	0.3
110.09678	0.3
111.04472	0.3
116.07081	0.3
116.98641	0.3
119.08569	0.5
120.08104	0.9
121.06514	0.4
121.10162	0.3
127.03912	0.3
131.04964	0.3
132.08122	0.9
133.10143	0.4
136.07596	0.4
137.05983	0.5
137.09535	0.3
143.14297	0.5
147.04411	0.7
147.11685	0.3
149.05908	0.3
149.09698	0.4
161.05962	0.3
163.11058	0.4
187.08748	0.4
203.05290	0.4
216.11453	0.4
244.10857	0.6
247.13097	2.6
247.69737	0.3
304.64301	0.3
307.32266	0.3
396.60687	0.3
409.18387	100.0
410.13821	0.4
410.18823	1.6
410.24911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	12.8
70.58309	11.7
70.58649	18.2
82.99835	10.6
85.02906	20.2
91.21647	8.5
101.00889	30.0
113.00871	12.9
115.02436	7.9
115.64688	7.4
119.01926	46.5
123.09484	8.6
131.01917	24.5
133.03499	41.9
143.01909	77.5
145.03467	31.4
147.04369	12.8
155.01884	32.5
157.03418	17.1
161.02963	100.0
168.99799	10.2
171.01471	15.2
173.02977	61.0
175.04515	10.5
184.04582	8.8
185.02937	11.6
187.00908	12.9
189.02428	22.6
191.03983	16.0
199.00897	17.5
199.04517	10.7
201.02493	18.0
203.04050	18.0
207.03406	8.8
213.02530	9.4
215.00455	9.6
217.01979	20.9
219.03558	11.0
221.05075	31.0
231.03526	26.8
236.14879	8.8
239.06125	31.8
247.03053	13.2
263.06134	29.1
275.02588	15.9
289.04050	73.2
301.03995	15.0
307.05142	62.8
319.04929	27.4
333.06604	16.7
349.06055	17.0
361.06155	15.7
377.05566	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	12.8
70.58309	11.7
70.58649	18.2
82.99835	10.6
85.02906	20.2
91.21647	8.5
101.00889	30.0
113.00871	12.9
115.02436	7.9
115.64688	7.4
119.01926	46.5
123.09484	8.6
131.01917	24.5
133.03499	41.9
143.01909	77.5
145.03467	31.4
147.04369	12.8
155.01884	32.5
157.03418	17.1
161.02963	100.0
168.99799	10.2
171.01471	15.2
173.02977	61.0
175.04515	10.5
184.04582	8.8
185.02937	11.6
187.00908	12.9
189.02428	22.6
191.03983	16.0
199.00897	17.5
199.04517	10.7
201.02493	18.0
203.04050	18.0
207.03406	8.8
213.02530	9.4
215.00455	9.6
217.01979	20.9
219.03558	11.0
221.05075	31.0
231.03526	26.8
236.14879	8.8
239.06125	31.8
247.03053	13.2
263.06134	29.1
275.02588	15.9
289.04050	73.2
301.03995	15.0
307.05142	62.8
319.04929	27.4
333.06604	16.7
349.06055	17.0
361.06155	15.7
377.05566	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08800	0.6
56.36226	0.6
56.96568	12.8
64.93754	0.6
67.05492	0.9
69.03432	0.8
69.07057	1.1
70.06593	1.4
70.50040	1.2
70.50428	1.5
71.95253	1.7
79.05480	1.6
81.03400	0.7
81.07066	5.4
83.08645	0.9
87.04462	0.7
90.12152	0.6
91.05467	1.1
93.07026	1.1
95.08631	1.1
97.06498	1.0
97.96797	0.7
98.97567	1.7
105.07000	1.2
110.97568	2.4
119.08587	0.8
122.15121	0.6
128.98611	2.2
129.02087	0.7
137.02797	1.2
143.00191	0.8
146.99622	0.7
153.02295	0.7
167.03784	0.8
169.01700	1.0
171.03276	1.2
173.04861	1.0
183.06979	1.0
185.04939	0.9
195.06958	1.1
199.06419	3.8
201.08337	0.7
203.05884	1.0
205.07468	1.2
211.06384	1.7
213.08028	8.5
217.07440	2.2
221.08417	0.9
223.02763	0.8
223.08588	0.9
225.07985	2.8
229.07504	6.3
231.09099	6.0
237.07954	1.4
239.06065	0.7
239.09593	2.9
241.07545	1.0
241.11113	3.8
243.09015	3.0
243.76474	0.6
247.08580	3.0
251.09529	5.2
253.11266	1.0
255.09062	5.9
257.10638	1.2
259.12213	3.1
269.10632	25.1
273.10153	2.4
279.09113	2.0
280.09799	1.7
287.11646	7.2
292.12180	2.7
297.10269	2.9
298.10962	1.2
313.14865	0.9
315.11227	0.8
331.15790	9.6
344.40222	0.7
349.16861	12.0
367.17944	100.0
368.18277	2.2
372.18420	1.4
385.19037	13.0
408.20367	8.6
408.27451	1.8
408.32834	1.7
409.21603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01885	1.7
57.54123	1.3
62.85230	1.5
69.03435	1.9
70.06596	2.6
71.56339	2.9
79.05507	7.9
80.56754	1.3
81.03420	4.5
82.49905	1.6
84.09357	1.4
85.02924	4.8
85.08292	1.3
86.09688	1.7
91.05476	6.4
95.05016	1.9
97.02914	2.1
97.42474	1.5
98.97586	1.6
103.05473	15.7
105.07053	18.1
107.04964	81.2
115.05493	6.1
117.07008	2.4
118.09290	1.5
120.05733	2.7
120.08112	1.4
123.04439	2.7
131.04948	7.0
131.05931	1.5
133.06496	15.0
135.08069	31.1
138.05516	1.6
145.07646	2.4
147.04440	3.4
161.05998	25.2
163.07552	100.0
166.07283	1.9
167.07048	53.8
167.08420	3.5
181.08588	2.0
193.08652	17.7
195.10185	93.2
206.59601	1.5
208.41023	1.7
211.09718	1.8
213.11156	1.6
224.92357	1.7
246.14510	1.9
291.12198	2.1
373.15253	1.7
377.72757	1.6
408.15530	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.6
64.49561	0.4
69.73807	2.2
81.07040	0.5
81.54333	0.3
87.21193	0.3
91.05432	0.4
93.07041	0.3
95.08591	0.4
97.06539	0.7
113.37911	0.3
137.61197	0.3
143.46057	0.3
157.78651	0.3
176.48630	0.4
199.06267	0.3
296.62930	0.3
321.16571	3.1
328.58664	0.4
347.15302	0.6
367.18005	0.7
385.18954	0.8
407.24048	100.0
408.24442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2793
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03939	3.8
55.01861	2.6
55.05516	17.5
57.03424	1.5
62.60656	1.3
65.03932	1.7
67.05509	29.7
69.03440	1.8
69.07084	11.8
69.81696	4.9
69.82109	2.6
71.05013	3.3
79.05502	27.4
81.03434	1.6
81.07061	31.8
83.04956	2.6
83.08627	7.9
85.02962	1.5
91.05487	43.7
93.07048	31.1
95.04974	5.4
95.08613	24.3
97.06524	3.6
97.10157	4.4
99.08119	2.2
103.05450	2.0
105.07037	52.0
107.04974	1.9
107.08582	12.9
109.10164	8.4
111.08104	1.6
116.06117	1.6
117.07032	18.1
119.01951	2.4
119.08595	38.0
121.06503	3.9
121.10149	8.2
123.08090	2.7
127.08625	1.3
128.06210	3.1
129.07028	10.4
131.08582	34.4
133.06508	3.2
133.10144	21.2
135.08067	2.9
135.11684	4.4
136.93149	1.6
137.02890	1.7
137.09628	2.5
141.06998	4.9
141.68089	1.4
141.80415	1.4
142.52785	1.5
143.08569	11.5
145.10121	17.9
147.08049	3.0
147.11711	3.7
149.09639	4.3
154.94221	1.8
155.08578	5.7
157.10042	7.1
159.11693	9.1
161.09587	1.9
163.11200	2.1
167.08585	1.8
169.10135	8.8
171.11708	5.1
172.95313	1.6
173.13280	3.5
175.11226	2.1
181.10237	2.2
183.07066	1.7
183.11696	3.5
185.13251	2.8
187.14885	2.7
195.11682	2.1
197.13339	5.2
199.14798	2.1
209.13269	3.5
211.14844	3.2
215.14325	1.6
218.06839	1.4
219.13869	1.8
220.75720	1.6
223.14836	2.9
225.16345	2.4
230.89650	1.4
231.11639	1.5
233.15446	5.5
235.16994	2.4
243.17445	1.6
247.16963	5.2
259.16867	1.7
261.18518	3.6
263.71384	1.5
273.61429	1.7
275.20029	2.0
282.59503	1.6
283.14127	1.5
309.15527	3.1
316.22650	1.6
325.25272	5.1
335.23599	6.1
343.26297	8.1
353.24826	22.8
361.27487	1.5
371.25827	33.2
389.22171	4.7
389.26868	100.0
390.27274	2.2
407.26752	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.96560	1.1
57.03439	0.5
59.19865	0.4
61.02920	0.7
67.05499	1.2
69.07056	0.6
70.06570	0.4
71.57603	0.7
79.05470	1.7
81.07058	1.5
91.05481	1.6
93.07032	1.5
95.04955	0.5
95.08621	1.0
97.06539	0.7
105.07040	1.4
107.08615	0.8
108.93581	0.4
111.04360	0.4
119.08569	0.9
121.10148	0.8
130.60851	0.4
131.08568	0.6
133.10136	0.9
133.61391	0.4
143.08624	0.5
145.06593	0.5
145.10118	1.0
147.04410	0.7
151.07497	0.5
155.13046	0.5
159.11635	0.7
169.10025	0.5
173.13335	0.6
177.09164	0.4
206.75726	0.4
247.32001	0.5
285.09995	0.7
296.47971	0.4
337.16101	0.6
349.16525	0.5
366.21967	1.1
367.18002	0.6
406.69669	0.6
407.24036	100.0
408.24307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.96561	1.2
57.03435	0.4
67.05502	1.2
69.07059	1.1
70.06599	0.5
70.94640	0.5
79.05487	1.3
81.03410	0.4
81.07047	0.9
83.04976	0.4
83.08579	0.3
85.02911	0.7
91.05468	0.9
93.07035	1.0
95.04974	0.4
95.08610	1.0
98.97620	0.5
104.07294	0.3
105.07002	0.6
107.08598	0.5
119.08627	0.5
121.10150	0.4
123.88496	0.3
129.07021	0.5
131.08615	0.5
145.10161	0.8
243.09082	0.5
267.08972	0.6
285.10208	0.4
301.29388	0.8
309.16998	0.5
334.15024	0.3
367.17694	0.3
393.34000	0.4
405.30850	0.4
407.24063	100.0
408.24463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.96561	1.8
57.03423	0.7
57.07072	0.7
65.24375	0.5
67.05521	2.6
69.07072	1.3
69.91139	1.1
69.91557	2.2
75.29790	0.5
79.05502	1.5
81.03423	0.7
81.07042	2.5
83.05035	0.6
85.02903	0.7
91.05457	1.3
93.07066	1.3
93.34590	0.5
95.04967	0.9
95.08597	1.2
96.08581	0.6
97.02882	1.0
98.21508	0.6
98.97585	0.8
105.07029	1.7
107.04967	0.6
107.08622	0.9
109.10197	0.6
111.08135	0.7
117.07020	0.8
119.08591	1.1
123.08055	0.6
127.03873	0.5
131.08577	0.9
133.10075	0.6
135.11717	0.6
146.01735	0.6
147.04419	0.7
171.03418	0.5
180.10077	0.5
185.09247	0.5
196.56923	0.6
224.08081	0.5
229.07449	1.2
247.08574	0.7
301.29446	0.9
349.17239	0.7
407.24066	100.0
407.35345	2.9
408.24411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96476	0.5
56.96582	0.6
67.05520	0.7
69.78077	2.7
79.57300	0.4
81.07076	0.7
86.92117	0.5
101.02559	0.4
109.10152	0.5
113.64835	0.4
121.10175	0.7
146.35416	0.5
153.00664	0.5
278.23990	0.5
295.15121	0.8
309.16486	1.0
345.95731	0.5
347.15390	1.2
365.16333	1.3
407.24045	100.0
407.35110	2.3
408.24408	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.96558	0.7
57.03424	0.4
57.07076	0.8
67.05509	1.3
69.03433	0.4
69.07059	0.8
70.06598	2.2
71.06945	0.6
71.56753	0.4
71.57112	0.4
72.73058	0.3
79.05485	0.9
81.07051	1.3
83.08646	0.4
84.08157	0.6
85.02905	0.5
86.09720	0.5
87.11605	0.3
91.05480	1.1
93.07066	0.6
95.04971	0.4
97.02871	0.5
98.97578	0.4
105.07019	0.9
107.08628	0.6
109.06534	0.5
117.07047	0.4
119.08553	0.4
121.10159	0.5
129.07076	0.4
131.08621	0.5
132.10201	0.9
133.10170	0.7
145.10185	0.4
146.11772	0.7
147.04422	0.6
150.71796	0.4
157.10228	0.7
159.11674	0.4
209.11734	0.3
241.07381	0.5
255.09035	0.4
259.08600	0.9
267.09033	0.6
273.12042	0.4
285.10178	1.1
287.11777	0.4
295.15118	0.7
300.29071	0.9
301.29282	3.9
309.16571	0.6
345.31995	1.7
349.16794	0.8
389.26498	0.5
407.24060	100.0
407.35529	15.7
408.24240	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.96562	1.9
67.05493	2.5
69.03438	0.8
69.07059	1.7
69.80368	1.9
69.80777	1.6
71.04990	0.9
71.08570	0.5
79.05486	2.5
81.07065	4.3
83.08611	1.0
85.02904	1.1
91.05476	2.5
93.07043	2.4
95.04949	1.4
95.08604	2.0
97.06525	1.0
98.20817	0.9
98.97624	0.8
105.07032	2.9
107.08594	2.2
109.06557	1.0
109.10155	0.8
113.00050	0.6
117.07016	0.6
119.08604	1.4
121.10132	1.6
128.00450	0.6
131.08553	1.1
133.10136	0.8
134.54425	0.6
135.11711	0.8
143.08603	0.8
145.10077	1.0
147.04417	0.6
147.11650	0.6
149.13426	0.7
157.10092	0.7
161.13315	0.9
162.40948	0.6
167.10959	0.5
168.39720	0.7
169.02705	0.6
171.11740	0.9
216.64960	0.5
229.07693	0.6
243.09077	0.9
269.10535	0.6
347.15118	0.7
347.21973	1.2
365.16660	0.9
371.25632	1.0
389.26978	1.5
407.24054	100.0
408.24258	1.4
411.58331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
56.96556	1.9
57.03433	0.5
67.05511	2.8
67.48915	0.5
69.03431	0.5
69.07070	1.2
70.06570	0.5
71.57099	0.7
73.02932	0.6
79.05496	5.0
81.07049	1.9
88.99162	0.5
91.05481	2.7
93.07067	2.4
95.04955	1.0
95.08610	2.9
97.01183	0.5
97.02882	0.6
98.97587	0.8
104.46190	0.5
105.07027	1.8
107.04959	10.3
107.08600	1.8
109.10130	2.0
119.08576	2.7
121.10140	1.3
131.08543	0.9
133.10101	0.6
135.08080	4.3
137.09636	2.0
145.10129	1.0
147.08047	0.6
147.11737	0.9
149.09578	0.6
157.10155	0.6
159.11656	0.7
161.09724	0.8
165.09082	0.6
173.11777	1.2
173.18430	0.5
273.18533	2.2
291.19559	1.4
315.16522	0.8
329.14069	0.7
333.17413	1.9
373.45111	0.6
407.24066	100.0
408.24283	1.3
425.28885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.05517	12.4
57.03428	6.0
59.97988	2.4
60.04511	3.8
61.02920	3.4
65.03955	2.4
66.46102	2.4
67.05512	34.8
69.03436	26.6
69.07037	4.6
69.70537	2.5
70.06589	6.1
70.87874	7.7
70.88235	3.0
71.05003	52.8
72.08150	3.6
79.05490	11.9
81.03419	15.3
81.07063	100.0
83.04960	6.1
83.08602	2.5
84.08144	6.3
85.02912	29.3
85.06538	11.4
86.09707	8.4
87.00845	17.9
87.04426	2.6
91.05469	7.9
93.07046	3.4
95.04973	5.9
95.08619	14.1
97.02888	9.7
97.06535	2.8
97.08910	3.3
99.04441	5.0
99.08105	25.0
105.01863	16.7
105.07016	5.2
107.08599	4.9
109.02877	10.9
111.04446	4.6
115.03902	3.0
119.04920	5.8
120.08111	7.7
121.10175	2.6
123.04447	2.2
123.11709	30.5
127.03951	20.1
131.08546	2.5
132.10228	2.6
133.10115	3.2
135.11678	3.4
141.12753	63.1
145.04910	4.8
147.04436	14.8
152.89343	2.6
155.13042	4.8
155.63287	5.8
156.13786	4.3
159.13837	16.5
169.12173	2.8
204.13109	3.2
209.15445	3.4
210.15739	3.9
223.21671	5.9
231.04951	4.4
249.14890	5.0
284.64764	2.8
289.18561	2.4
300.73593	2.6
327.26419	7.1
328.27136	3.9
329.27859	3.3
335.14963	5.7
353.15857	3.2
407.32541	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	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05521	0.9
56.05037	0.8
56.96564	2.2
57.03452	2.8
60.04519	0.6
61.02925	1.5
67.05473	0.6
69.03435	5.0
69.07085	0.6
70.06594	5.2
71.01337	0.7
71.04985	1.5
71.56818	0.5
72.08147	1.5
73.02921	2.2
75.04465	0.7
79.05477	0.7
81.03438	0.6
81.07069	1.2
84.04510	2.1
84.08151	3.0
84.96027	0.8
85.02925	3.0
86.06037	0.6
86.09719	3.7
87.04502	0.6
89.03984	0.7
91.05489	2.1
97.02893	1.7
97.06570	0.9
97.70319	0.5
98.06034	0.5
98.97585	6.1
99.04460	0.8
102.05551	0.6
103.05443	0.7
105.07037	0.9
110.07156	0.9
110.97572	1.3
115.03935	0.8
116.98647	2.0
117.03388	1.1
119.04972	0.9
120.08120	3.0
127.03947	0.8
128.98621	2.1
129.10287	1.2
130.05051	1.1
132.08107	1.0
135.08168	0.5
136.07573	0.6
145.02882	1.7
146.99826	0.5
147.04477	1.3
147.07750	0.7
147.09195	1.2
155.01738	0.6
158.99719	1.0
159.09174	4.7
161.01225	0.8
167.07068	1.4
168.07483	0.9
170.99698	1.4
172.08742	1.0
173.09351	1.4
174.10281	7.0
175.08745	1.4
177.05548	2.6
178.43547	0.5
184.08685	3.1
185.07115	6.7
186.10313	2.1
187.08678	14.5
189.00710	0.7
199.08752	0.6
204.06456	0.7
212.08215	2.8
219.01852	2.0
230.09247	16.9
231.07674	1.7
237.02898	2.6
248.67233	0.6
256.07169	6.7
263.20551	0.6
264.05841	0.6
273.09839	32.2
275.08118	0.9
293.09119	5.9
321.14395	4.5
364.14896	4.7
389.14651	0.7
389.23724	0.7
390.13150	1.7
407.15680	100.0
408.16434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1526
Annotation	Pamapimod
Peak:m/z	Relative Intensity
56.96551	0.8
68.10136	0.4
70.06587	1.1
70.85091	1.1
85.02894	1.1
97.02922	0.5
98.97601	1.3
107.04977	0.8
127.03921	0.4
135.08022	0.5
147.04425	1.0
162.22949	0.4
163.07610	0.5
167.07091	0.5
195.10159	0.5
237.02715	0.4
242.68443	0.4
275.11002	6.2
293.10934	0.7
407.15265	100.0
408.15588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	26.3
61.02904	0.6
61.18584	0.6
65.91109	0.6
67.05499	1.6
69.03423	1.0
69.07053	1.8
71.57180	1.2
71.95258	2.7
72.96018	1.0
79.05491	1.6
81.03435	1.0
81.07066	1.9
83.08603	0.8
84.96042	0.8
91.05474	1.4
92.70892	0.6
93.07033	1.5
95.04964	1.0
97.02867	0.9
97.06552	0.8
97.96782	0.7
97.97395	0.9
98.97566	1.5
105.06985	1.2
107.08559	0.9
109.10147	1.5
110.97564	2.3
115.00671	2.1
116.98529	0.7
119.04935	0.7
121.10179	0.7
127.00677	1.4
128.98592	2.7
129.02243	5.1
131.00117	0.8
131.11993	1.0
133.01726	1.0
137.02748	1.1
137.11960	0.8
139.00667	1.1
141.02246	2.2
145.01765	0.7
146.99634	1.6
147.03250	3.3
147.04399	2.7
151.00635	1.0
153.02220	2.0
155.03810	3.9
155.12962	0.9
156.03584	0.9
157.01692	0.9
159.03314	1.9
161.04825	0.8
167.03732	0.9
169.01695	1.5
171.03304	4.2
173.04823	4.8
181.05292	1.2
183.03244	1.4
183.06950	1.4
184.00430	0.9
185.04810	3.9
187.02792	1.2
189.04332	2.9
191.05914	1.0
197.04749	1.0
199.02803	0.8
199.06412	5.5
201.06343	0.7
201.07971	3.9
203.05891	2.4
205.14536	0.6
211.06418	1.8
211.09990	0.9
213.07942	1.6
217.07536	3.4
219.08908	0.8
223.06558	0.8
223.21616	0.9
224.08014	0.9
225.08032	1.0
227.05983	1.3
229.07515	2.2
231.09006	1.0
235.02596	0.8
237.07945	12.2
239.09575	3.7
241.07489	1.4
243.08986	6.9
245.07045	1.0
247.08549	0.7
253.11131	0.9
255.09041	100.0
256.09378	1.3
257.10565	2.7
261.10068	3.0
265.07385	1.8
267.09039	3.1
269.10657	1.0
273.10089	40.1
278.10657	12.5
283.08582	4.8
285.10092	1.9
295.08588	3.1
295.11871	0.7
296.11719	2.0
301.09604	2.4
305.10684	2.6
305.13995	1.2
313.09683	2.6
323.15240	1.7
327.26425	1.8
329.14191	8.2
347.15289	21.7
365.16357	71.8
366.16595	0.9
370.17068	1.6
383.17407	33.1
388.17679	3.0
406.18732	8.8
406.23251	0.9
406.26102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01883	17.6
55.05506	31.4
56.96570	5.6
57.03431	8.4
57.07080	3.6
59.04987	3.3
61.02958	3.2
65.03971	5.4
67.05505	72.3
69.03432	21.8
69.07075	35.1
70.13638	14.3
71.04989	12.5
73.02930	4.2
79.05491	60.7
79.88537	3.3
81.03428	27.0
81.07063	71.8
83.05004	15.9
83.08621	18.7
85.02917	11.9
85.06563	3.6
91.05482	63.4
93.07054	65.2
95.04969	20.0
95.08608	54.2
97.02889	14.9
97.06546	9.6
97.10174	9.6
98.21452	4.6
98.97609	4.5
99.04454	9.0
99.08102	4.3
105.07034	70.8
107.04947	10.0
107.08593	40.1
107.61554	3.6
109.06520	16.0
109.10145	23.1
111.04449	12.1
111.08115	6.0
115.05495	3.3
115.87858	3.8
117.07024	39.5
119.08588	54.3
119.98219	3.6
121.06516	12.5
121.10157	28.5
123.04435	5.7
123.08098	9.0
123.11723	5.2
125.09610	6.7
127.03938	4.1
128.06227	7.9
129.05455	4.6
129.06998	20.6
131.08565	48.1
133.06470	9.5
133.10126	39.1
135.08075	9.3
135.11697	19.7
139.07555	3.5
141.07024	5.4
143.08554	26.4
144.09299	3.9
145.06494	6.5
145.10130	36.9
147.08075	11.1
147.11697	24.2
149.09601	9.5
149.13271	12.4
155.08565	10.7
157.10117	18.2
159.08052	6.9
159.11676	35.3
161.09634	7.6
161.13304	15.2
163.11200	3.7
169.10190	9.9
171.08102	7.1
171.11694	18.2
173.09598	5.8
173.13303	24.4
175.07506	4.3
175.14819	6.2
177.12729	3.6
181.10193	7.3
183.11772	10.2
185.09686	5.3
185.13261	13.3
187.11180	6.3
187.14880	10.1
189.12831	4.7
197.13293	10.4
199.14841	12.1
201.12811	5.2
209.13194	4.3
213.12708	4.5
213.16402	4.0
219.13818	3.3
219.80998	3.4
223.15089	4.2
227.14297	3.9
229.07513	5.2
259.20529	4.7
261.22174	4.0
273.22153	8.4
275.20108	4.2
277.21594	8.1
285.22076	4.9
289.21643	8.6
291.23169	4.4
301.21713	8.8
303.23349	5.0
313.21866	4.3
315.23184	15.5
319.22693	10.6
327.23190	7.2
331.22577	10.1
331.26242	6.7
341.24759	12.7
345.24377	8.4
351.23126	21.1
369.24240	63.5
387.21283	5.2
387.25418	59.2
405.21390	17.8
405.26373	100.0
405.30624	4.3
405.31592	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	405.2637
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03939	8.9
55.01883	17.6
55.05506	31.4
56.96570	5.6
57.03431	8.4
57.07080	3.6
59.04987	3.3
61.02958	3.2
65.03971	5.4
67.05505	72.3
69.03432	21.8
69.07075	35.1
70.13638	14.3
71.04989	12.5
73.02930	4.2
79.05491	60.7
79.88537	3.3
81.03428	27.0
81.07063	71.8
83.05004	15.9
83.08621	18.7
85.02917	11.9
85.06563	3.6
91.05482	63.4
93.07054	65.2
95.04969	20.0
95.08608	54.2
97.02889	14.9
97.06546	9.6
97.10174	9.6
98.21452	4.6
98.97609	4.5
99.04454	9.0
99.08102	4.3
105.07034	70.8
107.04947	10.0
107.08593	40.1
107.61554	3.6
109.06520	16.0
109.10145	23.1
111.04449	12.1
111.08115	6.0
115.05495	3.3
115.87858	3.8
117.07024	39.5
119.08588	54.3
119.98219	3.6
121.06516	12.5
121.10157	28.5
123.04435	5.7
123.08098	9.0
123.11723	5.2
125.09610	6.7
127.03938	4.1
128.06227	7.9
129.05455	4.6
129.06998	20.6
131.08565	48.1
133.06470	9.5
133.10126	39.1
135.08075	9.3
135.11697	19.7
139.07555	3.5
141.07024	5.4
143.08554	26.4
144.09299	3.9
145.06494	6.5
145.10130	36.9
147.08075	11.1
147.11697	24.2
149.09601	9.5
149.13271	12.4
155.08565	10.7
157.10117	18.2
159.08052	6.9
159.11676	35.3
161.09634	7.6
161.13304	15.2
163.11200	3.7
169.10190	9.9
171.08102	7.1
171.11694	18.2
173.09598	5.8
173.13303	24.4
175.07506	4.3
175.14819	6.2
177.12729	3.6
181.10193	7.3
183.11772	10.2
185.09686	5.3
185.13261	13.3
187.11180	6.3
187.14880	10.1
189.12831	4.7
197.13293	10.4
199.14841	12.1
201.12811	5.2
209.13194	4.3
213.12708	4.5
213.16402	4.0
219.13818	3.3
219.80998	3.4
223.15089	4.2
227.14297	3.9
229.07513	5.2
259.20529	4.7
261.22174	4.0
273.22153	8.4
275.20108	4.2
277.21594	8.1
285.22076	4.9
289.21643	8.6
291.23169	4.4
301.21713	8.8
303.23349	5.0
313.21866	4.3
315.23184	15.5
319.22693	10.6
327.23190	7.2
331.22577	10.1
331.26242	6.7
341.24759	12.7
345.24377	8.4
351.23126	21.1
369.24240	63.5
387.21283	5.2
387.25418	59.2
405.21390	17.8
405.26373	100.0
405.30624	4.3
405.31592	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	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01869	5.1
55.05513	54.7
57.03447	3.7
57.72461	2.9
59.05018	3.7
65.03944	2.8
67.05508	75.5
69.03413	3.2
69.07073	40.9
69.64594	10.8
69.65005	5.2
71.04988	8.8
73.06559	5.8
74.01777	2.7
79.05499	57.1
79.37270	3.0
81.07059	85.4
83.04967	6.5
83.08619	35.3
85.06532	9.6
86.94018	2.8
91.05483	89.2
93.07046	58.6
95.04982	8.9
95.08611	46.5
97.06530	10.9
97.10178	9.7
103.05503	5.9
105.07038	70.3
107.04960	8.8
107.08601	26.1
109.06532	5.6
109.10165	15.0
111.08095	11.4
114.28188	2.8
115.05453	9.0
117.07021	63.4
119.08595	30.5
121.06527	7.9
121.10160	24.7
123.08076	9.1
125.09628	6.6
128.06218	12.9
129.07010	66.1
130.07834	3.8
131.08574	100.0
133.06497	10.1
133.10150	23.5
135.08063	6.1
135.11684	8.5
139.11197	9.4
141.07018	23.1
142.07756	7.3
143.08566	47.1
145.06514	13.0
145.10139	34.3
147.08055	9.5
147.11682	10.3
149.09616	9.0
149.13214	3.4
151.11130	4.5
155.08554	38.7
157.06577	4.8
157.10139	29.4
159.08054	8.6
159.11719	14.9
161.09618	6.3
163.11140	4.5
165.07048	5.2
167.08578	13.8
168.09250	3.4
169.10158	15.8
171.11690	12.8
173.09686	4.4
175.09720	4.8
175.11180	6.6
177.12744	4.0
179.08586	8.7
181.10098	15.7
183.11700	13.5
185.13258	8.8
187.11128	4.3
189.12802	4.1
193.10129	3.9
193.12071	3.5
195.11798	16.3
195.13339	3.6
197.13272	9.2
199.11348	3.2
199.14952	3.8
207.11705	6.7
209.13242	15.6
213.12701	4.7
213.16434	5.1
219.11603	5.5
219.13731	3.7
221.13376	13.4
223.14871	25.1
225.12846	3.2
225.16290	3.4
227.14427	6.0
231.17525	3.3
233.15369	20.9
235.14740	5.7
237.16402	5.0
238.74704	2.9
239.14198	13.6
241.15869	8.0
245.15450	3.6
247.17094	3.4
253.15907	6.6
257.15353	10.7
259.16919	9.3
267.17502	3.6
271.16888	12.8
275.16428	4.2
285.18338	5.7
305.22665	3.3
315.21057	3.6
323.23627	9.8
333.22107	17.7
341.24646	15.6
351.23181	55.7
359.25790	4.6
369.24255	43.8
377.26587	4.8
387.25287	59.7
405.26630	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02373	1.3
53.03959	6.6
55.01875	9.3
55.05264	1.9
55.05513	27.2
57.03445	8.3
57.07074	3.1
59.38055	1.1
65.03926	3.3
67.05507	52.6
69.03435	18.7
69.07073	19.3
70.21954	2.3
70.22369	3.8
71.01358	2.0
71.04995	6.6
73.02898	2.5
77.03925	1.5
79.05499	40.9
81.02980	1.8
81.03423	22.1
81.07060	59.3
82.94128	1.1
83.04989	14.2
83.08620	10.6
83.77859	1.1
85.02909	8.0
85.06548	2.2
87.04467	2.4
91.05484	51.5
93.07049	52.5
95.04976	8.7
95.08606	45.7
97.02875	10.0
97.06522	5.5
97.10165	5.3
99.04449	5.2
99.08104	2.1
103.05502	2.1
105.07034	53.1
107.04950	10.8
107.08602	33.6
109.02871	4.5
109.06530	9.1
109.10145	17.7
111.04411	8.9
111.08080	4.2
113.00008	2.9
113.06028	1.2
113.62196	1.1
115.05447	3.1
117.07024	28.6
119.04959	2.3
119.08580	38.4
121.06491	9.2
121.10155	23.7
123.04437	3.3
123.08062	6.3
123.11709	4.4
125.06005	1.7
125.09609	3.5
127.03993	2.7
128.06223	5.0
129.05508	2.8
129.06996	17.9
130.07770	2.6
131.04944	2.3
131.08578	36.3
133.06491	7.1
133.10132	32.5
135.04384	1.3
135.08043	6.8
135.11700	16.8
137.05931	1.7
137.09630	4.4
139.11159	2.4
141.06975	5.1
142.07765	4.1
143.08568	15.5
145.06467	5.6
145.10121	25.8
147.08038	8.1
147.11696	22.1
149.09607	6.3
149.13252	9.2
151.07503	3.3
151.11160	2.8
153.09068	1.8
155.08551	7.0
156.09346	2.0
157.06497	2.3
157.10115	15.3
159.08058	5.6
159.11703	26.9
161.09615	5.9
161.13275	10.8
163.11166	4.0
163.14871	3.3
165.09059	1.7
167.08600	2.6
168.95674	2.4
169.02678	1.8
169.10130	6.6
171.08047	4.9
171.11691	14.1
173.09633	4.7
173.13278	17.1
175.07593	2.1
175.11107	7.0
175.14873	6.0
177.12715	3.1
179.08638	1.3
179.10670	1.7
181.10118	3.7
183.08150	2.4
183.10248	1.4
183.11641	7.7
185.09616	4.5
185.13281	12.0
186.96826	3.0
187.11162	3.5
187.14850	5.9
189.09015	1.2
189.12724	4.3
191.10669	2.4
193.12190	1.8
195.11705	3.6
197.09669	2.2
197.13255	4.8
199.11150	2.5
199.14828	5.4
201.12730	4.0
201.16357	2.1
203.10678	1.3
203.14337	2.9
205.12325	1.8
207.13788	1.7
209.13402	2.5
211.11185	1.8
211.14815	3.7
213.12756	3.7
213.16328	2.6
215.14357	2.8
217.12207	1.4
223.14870	2.8
225.12747	2.4
227.14314	3.0
227.17960	1.5
233.15416	1.7
235.17070	1.4
239.14342	2.6
241.19540	1.7
249.18571	1.4
253.19681	1.4
255.21114	1.9
257.18906	1.9
259.20624	5.7
261.22147	2.8
271.16873	1.3
271.20590	5.3
273.18954	1.6
273.22086	6.4
275.20044	1.6
277.21796	6.5
279.23532	1.6
283.20587	1.4
285.22147	3.3
287.20233	1.8
287.23584	2.0
289.18805	1.4
289.21609	8.3
291.23233	5.0
297.22195	2.5
299.20154	2.2
299.23532	1.5
301.21625	10.4
303.23190	6.5
309.21973	2.0
313.21570	3.6
315.23145	11.0
317.17825	1.5
319.22650	7.5
323.23541	2.9
327.23169	6.8
331.22720	3.1
333.21982	2.3
341.24857	9.1
343.22690	2.0
345.24280	7.7
347.21960	2.0
351.23157	13.6
357.24124	1.5
359.25772	4.1
364.18451	1.4
369.24258	47.3
370.24368	1.3
387.25266	37.6
404.75333	1.5
405.26337	100.0
406.26682	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	405.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53253	0.4
55.01880	3.9
55.05264	0.6
55.05516	8.1
57.03440	6.3
57.07080	3.4
67.05507	3.6
69.06725	0.6
69.07073	7.1
69.45076	1.1
69.45485	2.4
70.38108	0.4
71.08632	2.1
71.59637	0.4
79.05499	2.4
81.07073	3.4
83.08627	6.6
85.10186	0.8
85.93228	0.4
85.93790	0.4
86.71826	0.5
93.07068	2.3
93.69740	0.6
94.98980	0.5
95.08617	2.4
97.06499	0.6
97.10184	5.2
98.72838	0.5
107.08580	1.5
109.10211	0.6
111.08083	0.7
111.11716	1.3
113.00027	91.8
116.35593	0.6
121.10175	3.0
123.11713	0.7
125.13274	0.5
128.95337	0.6
135.11642	2.3
137.13268	0.8
139.01494	0.5
149.13275	0.6
166.48274	0.5
169.02623	100.0
219.21129	1.3
237.22169	7.9
259.81943	0.5
354.92935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32846	0.3
53.03949	0.4
55.01873	3.1
55.05512	7.6
57.03438	4.4
57.07074	2.7
65.70100	0.3
67.05509	3.5
69.07071	8.6
69.55103	1.4
69.55537	1.2
71.08642	1.6
79.05492	2.2
81.07059	4.0
83.08618	7.2
85.10175	0.5
93.07055	2.1
94.31354	0.4
95.08598	3.0
97.06543	1.1
97.10176	4.5
98.21476	0.8
103.15305	0.3
107.08599	1.4
109.10152	1.1
111.08093	0.7
111.11706	1.9
113.00021	90.8
121.10157	3.7
123.11674	0.6
131.01054	0.5
135.11673	2.2
137.13261	0.6
137.57961	0.4
139.01575	0.5
149.13280	0.6
154.02626	0.5
163.14812	0.4
169.02615	100.0
186.67023	0.3
202.07669	0.3
218.17639	0.3
219.21132	1.6
237.22131	6.7
285.44464	0.4
339.59653	0.4
405.23813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01858	1.6
55.05507	6.2
56.96552	1.3
57.03418	1.3
57.07072	1.7
61.02923	1.0
67.05508	8.8
69.03435	2.0
69.07072	7.0
69.84815	4.3
71.04984	1.8
73.02853	0.7
79.05495	6.8
79.89484	0.8
80.11412	0.9
81.03417	2.2
81.07059	11.4
82.14854	0.8
83.04963	2.0
83.08611	3.2
85.02916	1.5
91.05478	7.8
93.07055	7.8
95.04984	1.1
95.08592	6.8
97.02849	1.2
97.06498	2.0
97.10174	1.5
105.07017	5.6
107.04948	1.2
107.08602	6.4
109.06494	2.2
109.10136	3.4
111.04427	1.1
111.08005	1.1
117.07027	3.3
119.08598	6.8
121.06487	1.1
121.10167	5.3
123.08047	2.7
123.11719	1.6
129.06973	2.2
131.08574	4.9
133.06496	1.2
133.10167	5.9
135.08035	3.4
135.11696	2.9
143.08531	2.0
145.06467	1.2
145.10109	3.3
147.07983	1.2
147.11665	2.5
149.09642	2.0
149.13231	1.8
155.08563	1.4
157.10132	1.6
159.11703	3.4
161.13287	1.4
163.11172	1.0
171.11607	1.4
173.09673	1.4
173.13229	1.9
175.11171	1.4
175.14903	1.9
177.12805	1.5
179.14243	2.4
183.23785	1.0
187.14732	2.0
188.37050	0.9
189.16431	1.0
191.14307	2.5
217.15962	1.0
247.20667	1.1
289.21667	1.4
303.26773	3.4
307.15085	1.5
315.22992	1.0
331.22467	1.2
331.26340	24.1
341.14508	0.9
345.19406	1.3
349.16898	1.9
356.54568	1.0
369.24182	5.1
387.21292	31.5
387.25305	2.9
404.25824	1.0
405.22388	100.0
405.30750	3.7
406.22827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2249
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05531	3.0
55.30950	1.2
56.96558	3.7
63.77868	1.1
66.48917	1.2
67.05495	4.7
69.03426	2.1
69.07066	4.8
69.70633	1.2
71.04987	1.2
71.52097	1.2
71.57223	1.6
79.05486	4.3
81.03409	1.7
81.07065	5.7
83.04969	2.5
83.08610	2.0
85.02883	1.9
88.18443	1.0
90.89219	1.2
91.05483	3.6
93.07055	5.8
95.08604	4.1
97.02897	2.4
97.06525	1.4
105.07018	2.0
107.08620	3.4
109.10158	3.0
113.00003	1.8
117.07022	1.9
119.08576	3.7
121.10142	1.5
125.09705	1.5
131.08545	2.1
133.10147	3.3
147.11687	1.5
157.10112	1.7
159.11633	1.8
169.02609	1.4
193.12154	1.3
256.73282	1.4
278.22070	1.7
281.06473	1.5
330.24701	1.2
331.26395	3.0
338.90448	1.3
347.15182	1.4
387.25403	1.6
405.22479	100.0
405.30945	2.6
406.22766	2.4
409.32553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2248
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05503	0.8
56.96563	0.5
57.03448	0.6
67.05501	1.3
69.07069	0.6
69.55352	3.3
79.05465	0.6
81.07050	1.2
82.44505	0.5
83.04994	0.6
85.02872	0.7
88.21275	0.4
91.05466	0.9
93.07048	0.9
94.01169	0.4
95.04980	0.8
95.08626	0.8
97.06519	0.5
105.07037	1.1
107.08590	0.8
109.10206	0.8
117.07044	0.7
119.08572	0.6
121.10162	0.5
129.06964	0.7
131.08586	0.6
147.04437	0.6
157.10150	0.7
269.10651	1.2
313.21622	0.9
387.24979	0.7
405.22476	100.0
406.22778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17909	3.0
53.03938	6.6
55.01871	6.2
55.05508	8.1
56.05053	2.8
56.96560	5.4
57.03434	10.8
65.24987	2.7
67.05512	17.7
69.03426	15.0
69.07070	5.7
70.06599	19.5
71.04997	19.6
72.08154	8.5
73.02937	17.4
79.05493	22.7
81.03394	8.2
81.07060	16.5
83.04988	42.1
83.08623	4.2
84.04513	5.9
84.08131	8.7
85.02905	44.7
85.06548	6.2
86.09695	10.9
87.00810	8.3
91.05464	10.4
93.07051	62.7
95.04954	17.7
95.08619	77.6
95.53738	3.0
97.02898	15.9
97.06535	9.5
98.97591	18.1
99.04451	45.9
101.06059	3.4
105.01863	8.8
105.07044	7.6
107.04993	4.1
107.08586	11.0
109.02879	8.8
109.06512	3.4
109.10157	16.4
111.08063	5.4
116.07088	4.3
119.04957	4.3
119.08577	9.0
120.08099	5.0
120.81051	2.8
121.06538	6.3
121.10151	38.2
123.04487	3.5
123.08080	3.5
127.03899	14.0
127.07587	4.6
127.08656	3.0
132.04408	4.4
135.08012	4.6
137.09613	5.4
139.10107	4.8
139.11185	100.0
140.91339	2.7
141.09193	3.5
141.42383	2.7
145.04994	9.1
145.10115	6.2
146.30592	3.4
147.04398	7.3
147.11682	10.6
149.09590	4.6
153.09071	4.4
156.42113	3.4
157.12242	53.7
158.99718	5.3
161.13333	3.5
162.02222	5.3
167.07042	9.2
167.10666	4.9
177.00635	3.5
181.12209	4.4
189.12753	4.2
199.13347	19.0
207.13745	4.4
211.03401	3.2
219.01782	5.2
225.14836	22.3
243.15924	7.4
243.25613	3.0
259.11072	13.1
387.25681	3.5
388.23514	6.1
405.16296	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01867	8.6
55.05515	32.9
56.96563	19.1
57.03435	15.2
57.07077	9.3
62.79706	4.4
64.46041	4.5
67.05511	54.9
69.03408	6.8
69.07069	35.1
71.04991	10.7
71.08633	17.8
71.57055	7.0
71.79280	4.0
72.13823	5.4
79.05496	48.2
81.03418	18.7
81.07062	62.7
83.04985	19.5
83.08617	15.9
85.06548	7.1
85.10195	14.6
91.05482	34.2
93.07038	49.8
95.04973	20.8
95.08604	62.4
97.06524	19.0
97.10175	10.9
99.08099	14.2
100.91312	4.0
105.07021	35.4
107.08588	24.1
109.06523	10.5
109.10175	19.8
110.97563	4.2
113.09650	22.3
117.07014	7.4
119.08602	20.0
121.10150	34.5
123.08073	10.5
125.09655	11.7
129.07022	6.5
131.08585	16.1
133.10146	17.8
135.11711	10.9
139.11201	16.6
143.08559	5.3
146.99678	5.4
147.11696	18.5
149.09656	9.7
151.11200	13.1
157.10188	5.8
159.11664	8.7
161.13255	10.5
163.11197	4.2
163.14775	4.3
165.12750	25.5
167.10693	9.4
169.12309	4.8
171.11679	7.9
173.11852	5.4
175.14813	4.4
179.14293	8.5
189.11348	4.8
193.12300	14.2
241.14378	15.2
241.19441	5.2
243.08951	5.1
251.09518	5.1
259.15375	7.9
259.20554	14.3
277.21637	100.0
295.22784	46.1
331.15549	8.5
333.17325	6.6
345.17838	5.3
349.16986	4.9
351.25363	27.0
363.18491	10.8
365.16504	6.0
369.26437	21.9
386.23624	5.5
405.22604	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01878	5.7
55.05508	29.6
57.03440	23.5
57.72874	4.0
61.12959	3.9
64.10862	4.3
64.69955	3.7
67.05506	61.9
69.07066	26.8
71.04995	7.0
71.08647	22.4
71.26613	7.7
71.26947	3.9
75.04488	4.9
79.05489	45.0
81.07056	83.0
83.04978	15.6
83.08627	24.8
91.05486	39.8
92.30988	4.0
93.07043	59.8
95.04964	9.1
95.08608	37.1
97.06521	10.7
97.10175	15.5
98.97604	5.6
99.08099	38.7
105.07045	20.0
105.46522	4.4
107.08588	37.7
109.06520	7.7
109.10157	16.8
110.98227	4.2
111.08025	8.1
117.07029	11.0
119.08566	14.1
121.10140	15.9
123.11716	5.6
125.09641	14.8
131.08572	14.9
133.10123	16.8
135.08008	4.8
135.11696	16.0
139.11163	4.8
140.14293	4.8
140.36157	4.1
140.42441	3.9
143.18797	4.4
145.10046	6.4
147.11707	9.3
149.13269	22.6
151.11195	26.1
157.10214	4.9
159.11702	14.8
161.13287	14.3
163.11226	14.6
173.11726	13.7
175.14815	5.8
177.12753	21.6
179.14325	10.2
189.11232	8.7
195.13814	8.6
213.16978	4.3
227.12822	13.4
229.14406	10.3
241.19583	10.5
245.13808	5.5
259.20758	7.2
269.14551	6.3
269.17490	100.0
277.21606	27.5
286.20187	5.1
351.25278	44.4
367.17929	7.6
369.26614	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82220	4.6
53.03947	4.6
55.01862	4.8
55.05513	28.1
56.96555	9.0
57.03448	22.2
67.05508	62.1
69.07056	26.1
70.50288	6.2
70.50616	10.1
71.05007	6.4
71.08635	25.6
79.05501	44.6
81.07059	80.2
83.04976	15.2
83.08618	20.1
83.21579	5.4
91.05491	36.1
93.07043	63.1
95.04967	11.1
95.08612	27.8
97.06527	11.2
97.10178	12.8
99.08091	19.1
105.07027	15.3
107.08591	38.5
109.06448	6.3
109.10171	11.3
111.08053	7.2
117.07001	10.8
119.08568	16.6
121.06548	6.8
121.10136	23.6
125.09642	10.7
129.07063	5.0
131.08597	16.4
133.10135	17.7
135.11720	7.4
139.11169	4.9
143.08459	4.6
145.10086	5.5
147.11650	7.6
149.13269	25.9
151.11143	21.7
153.66196	4.8
159.11684	20.3
161.13271	10.4
163.11206	4.7
165.12779	5.4
173.11751	13.4
177.12733	16.1
179.14362	7.5
195.13797	12.4
203.88788	5.2
227.12808	12.3
229.14226	6.2
259.20639	7.3
269.17487	100.0
277.21600	19.4
286.20309	6.9
331.03940	4.4
351.25305	44.8
369.26120	5.2
404.24973	6.7
404.30698	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	404.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94225	1.0
53.03931	1.6
55.01862	2.8
55.05502	2.6
56.05028	2.2
57.07074	1.4
60.04528	28.3
65.03966	1.4
67.05497	9.7
68.05034	1.5
69.03411	2.5
69.07073	14.1
70.02951	1.0
70.06585	1.2
70.61184	3.0
70.61540	1.0
71.04974	3.2
72.04509	3.0
72.08126	1.2
73.06552	2.2
79.05496	10.1
80.05009	3.2
81.03421	2.1
81.07062	17.2
82.06554	2.1
83.04970	2.4
84.04494	2.5
84.08150	2.3
85.02904	41.6
85.79964	0.9
86.02381	1.0
86.06060	1.8
86.09686	3.1
90.05546	4.6
91.05488	10.6
92.04986	2.0
93.07053	7.6
94.06553	4.5
95.04970	2.1
95.08577	5.5
96.04495	4.2
96.08126	2.8
97.02903	1.4
97.06529	4.7
98.06050	1.7
102.05531	1.4
105.07034	8.1
106.06558	15.0
107.04967	1.5
107.08598	8.8
108.08102	3.7
108.85622	1.0
109.06506	2.5
109.10155	5.3
110.06003	2.3
111.08089	1.8
115.07549	2.1
117.07017	1.9
118.06548	3.0
119.04933	6.3
119.08591	7.5
120.08127	7.9
121.10154	6.0
122.06020	3.5
123.08055	1.7
123.11708	49.9
124.07563	2.1
125.05984	3.8
125.09605	1.8
130.04999	1.0
131.08560	2.2
132.06529	8.3
132.08087	2.5
133.10078	2.5
134.09642	1.8
135.11722	6.3
136.07599	12.5
145.10127	4.5
147.04391	4.3
147.08028	1.9
147.11684	8.1
148.07582	2.7
149.09601	3.8
150.09203	2.9
151.07550	2.4
152.10728	1.5
154.08636	2.8
156.09361	1.2
157.85890	1.1
166.61789	1.1
171.11653	2.5
175.03938	8.9
178.08597	1.4
184.11259	1.4
188.14404	1.2
189.12712	10.0
192.04234	2.4
200.14301	1.2
202.12230	1.3
207.06540	19.8
207.13800	33.7
218.15477	1.2
225.07562	10.9
225.14871	11.9
228.56535	1.1
247.50911	1.4
272.19702	1.2
290.21445	1.1
296.19992	1.1
302.21176	8.5
304.22668	1.4
308.22153	1.4
314.21161	3.0
320.22189	4.8
332.22232	10.4
350.23294	6.7
368.24295	9.3
386.25381	76.0
387.25470	1.5
402.02670	1.1
404.26410	100.0
405.26563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	1.0
53.04089	0.8
55.01776	1.7
55.05407	4.3
55.05708	1.8
56.04931	2.4
56.96489	0.7
57.03341	1.3
58.06517	1.1
60.04416	25.1
60.04758	7.2
61.02818	0.5
61.99701	0.5
67.05387	9.1
67.05792	2.2
68.04914	2.5
68.05297	1.3
69.03316	5.0
69.03718	1.1
69.06945	3.7
69.07352	1.0
70.02828	1.6
70.03204	1.0
70.06472	5.2
70.75583	0.6
71.04871	2.9
71.56967	0.9
72.04395	3.7
72.08032	14.5
72.08477	2.7
73.02824	1.1
73.03173	0.6
73.08362	3.8
74.05957	2.8
79.05366	7.0
79.05866	0.9
80.04889	7.1
80.05411	1.2
81.03294	2.8
81.06926	9.4
81.07449	1.4
82.06449	2.8
83.04890	1.2
83.08535	1.1
84.04376	4.2
84.04905	1.2
84.08011	5.7
85.02773	5.4
85.06427	0.5
86.05933	2.5
86.09573	6.4
87.00694	1.5
87.04337	8.4
87.04906	1.3
87.09964	1.1
87.56851	0.6
88.03889	0.7
90.05417	5.1
91.05344	8.9
91.05951	0.9
92.04926	1.0
93.05701	0.8
93.06908	6.4
93.07547	1.3
94.06432	4.6
95.04833	3.0
95.08468	7.0
96.04353	4.2
96.08011	1.7
97.02751	2.2
97.06396	3.2
97.10068	0.9
98.05914	3.2
98.09562	0.5
98.97449	1.6
98.98047	0.7
99.04343	1.0
99.50895	0.5
102.05392	2.4
102.06041	1.0
105.01734	1.6
105.06895	3.5
106.06417	2.8
107.04822	1.6
107.07227	0.7
107.08446	3.8
108.07976	1.8
109.02749	0.9
109.06416	1.3
109.10014	3.2
110.05898	4.5
110.06712	1.0
110.07001	0.6
110.09582	1.0
111.07940	2.1
112.07502	1.0
114.05381	2.7
116.07014	1.1
116.98484	1.0
117.06924	0.9
119.04933	4.5
119.08417	2.6
120.07950	3.3
121.06347	1.8
121.10010	2.2
122.06016	3.5
122.09541	1.0
123.07959	1.4
124.07475	1.2
125.09497	0.6
126.05419	1.0
126.09035	0.9
127.03783	2.0
127.04744	1.0
129.06918	1.0
129.10085	1.6
130.04768	0.8
131.08423	2.0
132.06566	20.6
132.08015	3.1
132.10080	0.7
133.09975	2.2
134.09500	1.5
135.07899	1.5
135.11530	0.7
136.07423	2.0
136.11102	0.9
137.09465	1.7
140.06979	0.9
140.10567	0.9
142.08611	0.7
144.08020	0.8
145.04823	0.7
145.10013	1.4
146.07974	2.1
146.09605	3.6
147.04420	6.4
147.07991	1.1
147.11494	1.7
148.11227	2.7
149.13124	1.0
150.09048	1.3
150.12537	0.8
151.11000	0.7
152.10506	0.7
154.12187	1.2
156.06400	0.9
157.10052	0.8
157.13182	0.7
158.07994	0.7
160.11061	2.0
162.08995	1.3
164.04645	0.6
164.10597	1.2
166.08505	0.6
174.07648	3.5
174.12680	0.7
175.03922	6.4
176.10722	5.7
178.12134	1.3
182.11684	0.8
185.13123	1.0
186.12730	0.6
192.04085	1.1
194.11598	1.3
197.08093	0.9
206.11740	3.3
206.15195	0.7
207.06546	15.2
216.17348	0.6
217.15829	0.6
224.12663	0.8
224.20073	0.8
225.07596	6.3
231.17003	1.0
232.17007	1.9
246.18465	1.3
248.20018	0.9
255.09276	0.6
260.19992	1.3
262.21634	0.7
264.19531	0.8
266.21106	1.2
272.20078	1.3
273.12244	0.5
276.19397	1.0
279.19455	1.2
282.20468	1.1
284.19974	1.3
286.21506	0.7
290.21082	2.5
296.19815	1.5
302.21085	4.9
304.22549	0.9
308.22092	2.4
314.21109	4.0
320.22092	1.8
326.23126	1.9
332.22156	5.6
342.22598	0.7
344.24124	1.8
350.23364	5.5
368.24304	23.3
386.25360	92.9
387.25690	1.0
404.16312	7.7
404.26440	100.0
405.26974	1.1
405.31387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01858	2.7
55.05500	2.7
56.05024	2.8
57.03438	1.9
57.07087	1.3
60.04528	26.7
67.05215	1.0
67.05504	9.4
68.05006	1.5
69.03419	3.2
69.07070	14.6
69.28110	8.4
70.06583	3.7
71.04975	3.7
72.04500	4.1
72.08171	1.2
73.02927	1.3
73.06541	1.1
74.06061	1.7
79.05494	13.2
79.18342	0.9
80.05006	4.0
81.03407	2.3
81.07051	12.6
82.06602	1.8
83.04980	2.3
84.04482	2.9
84.08132	2.7
85.02908	31.5
85.06516	1.8
85.08439	0.9
86.06079	1.8
86.09715	3.4
90.05557	4.4
91.05492	10.5
92.04992	3.6
93.06463	1.3
93.07034	9.7
94.06570	4.7
95.04953	3.1
95.08598	4.3
96.04495	4.0
96.08115	2.0
97.02888	1.7
97.06540	6.4
98.06081	2.3
98.20737	2.2
102.05528	1.2
105.07026	6.5
106.06561	17.0
107.04965	1.2
107.08604	6.5
108.08096	3.6
109.05299	1.1
109.06478	2.0
109.10150	5.0
110.06043	2.8
111.08095	1.5
114.05466	1.1
115.05457	0.9
115.07557	3.1
117.07055	1.4
118.06522	4.0
119.04951	4.9
119.08581	7.5
120.08111	10.3
121.10134	5.3
122.06014	3.1
123.08025	1.7
123.11708	35.7
124.07545	2.9
125.05988	2.1
125.09637	1.5
126.09165	1.0
130.04976	2.2
131.08519	2.0
132.06561	8.2
132.08058	1.9
133.06483	1.3
133.10114	2.3
134.09634	1.7
135.08076	1.3
135.11684	7.1
136.07579	13.9
145.10110	3.6
146.08078	1.6
147.04401	3.2
147.08017	1.9
147.11662	5.6
148.07576	3.5
149.09618	2.3
150.09135	3.9
151.07474	1.2
154.08643	2.5
161.09537	1.1
165.12706	1.2
166.08754	1.1
170.86252	0.9
171.11662	1.5
172.11162	1.2
174.07700	1.2
175.03888	5.8
178.08557	1.0
188.14354	1.8
189.12793	7.9
202.12206	1.2
207.06526	17.4
207.13800	24.2
218.15596	1.2
225.07645	6.2
225.14784	7.1
290.21216	1.3
302.21225	8.6
308.22360	1.3
314.20993	3.4
320.22290	5.1
326.23080	1.2
332.22250	8.1
350.23370	7.5
359.66895	1.1
368.24277	11.0
386.25403	75.8
387.25449	1.8
404.26419	100.0
405.26630	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	404.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45370	1.1
56.96568	12.4
67.05511	2.4
69.07072	1.1
69.97142	2.9
71.95278	1.8
78.70742	0.9
81.07057	2.4
82.32236	0.9
91.05485	0.8
93.07075	2.0
94.04205	1.4
94.59238	0.8
98.97588	100.0
105.89699	1.0
107.08617	1.1
116.98628	44.9
122.03644	3.1
134.99681	12.1
137.05986	40.4
140.00206	5.5
142.33307	0.8
158.01266	2.3
179.00192	1.8
180.01018	0.9
197.01231	1.7
198.02019	1.1
220.00496	2.7
224.09682	1.9
226.11137	18.2
229.14336	0.8
235.02792	69.2
236.03149	0.9
238.01619	1.5
244.12251	5.4
253.03853	73.8
267.13922	1.0
268.12112	4.1
269.17545	2.5
271.04938	2.6
276.02704	1.5
276.05453	13.6
280.12140	1.7
292.66446	0.8
329.12943	2.2
331.94931	0.8
344.15472	7.1
362.16440	1.3
404.17456	97.3
405.17780	1.9
405.22507	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	403.282
Annotation	Broussonetine I
Peak:m/z	Relative Intensity
53.50075	0.5
69.07064	0.8
69.48027	1.6
69.48452	2.5
81.07042	0.7
91.05482	1.4
123.08085	1.2
127.31758	0.6
129.01839	2.8
139.00241	0.9
149.34279	0.7
157.01329	0.7
185.08087	1.5
366.60892	0.6
371.25806	0.9
385.27164	50.4
386.27679	0.9
403.28204	100.0
404.28586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2845
Annotation	Gutierrezianolic acid isobutyrate methyl ester
Peak:m/z	Relative Intensity
53.03952	2.5
55.01873	2.0
55.05515	11.5
57.03431	2.1
61.39221	2.2
65.03941	2.5
67.05507	21.5
69.07077	10.7
70.00225	9.8
71.04992	18.2
77.78841	1.9
79.05497	11.8
81.07051	28.7
83.04972	2.5
83.08620	5.2
85.06545	2.4
91.05494	33.4
93.07043	19.2
95.04987	4.5
95.08604	14.5
97.06538	3.9
97.10163	3.4
103.05490	1.9
103.59071	1.8
105.07038	31.8
107.08587	10.9
109.06512	3.2
109.10172	2.8
115.05428	2.5
117.07018	13.3
119.04921	1.7
119.08593	29.1
121.06524	5.3
121.10147	4.9
123.08091	1.9
129.01852	8.0
129.06998	10.3
131.08582	25.5
133.06458	3.5
133.10161	14.4
135.08066	4.1
135.11726	2.7
141.06996	3.2
143.08553	8.5
145.06529	2.8
145.10146	18.6
147.08052	5.2
147.11713	5.1
149.09637	2.7
149.13286	3.3
155.08545	3.5
157.01329	3.7
157.10123	9.0
159.08087	6.1
159.11661	10.8
161.09631	4.0
161.13266	2.6
163.11130	2.4
166.33092	1.8
169.10129	5.8
171.11716	7.4
173.09665	4.3
173.13252	5.3
175.11232	2.6
181.10164	2.8
183.11710	3.8
185.08163	3.3
185.13324	3.2
187.11165	4.5
187.14822	2.2
195.11743	2.9
197.13292	5.3
199.14813	2.7
201.12791	2.5
209.13171	1.9
213.12657	3.5
215.14374	3.6
233.15269	2.8
241.15921	2.8
255.21080	2.1
257.18942	3.5
273.18530	3.5
283.20609	5.0
285.18558	10.7
301.21619	11.4
317.21048	5.0
325.25061	4.3
335.23615	4.4
343.26385	5.1
343.72397	1.9
353.24838	23.2
371.25824	37.6
385.27332	10.5
403.28442	100.0
404.28986	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2804
Annotation	Broussonetine I
Peak:m/z	Relative Intensity
55.05516	6.3
56.05040	4.9
56.96568	1.4
57.03431	1.2
58.06601	0.7
60.04537	4.8
61.02938	1.4
65.54826	0.6
67.05511	1.7
69.03438	1.4
69.07063	1.8
69.24323	5.6
70.06600	8.0
71.04984	1.1
72.08160	74.0
74.06091	10.8
79.05498	1.7
80.05021	1.9
81.03426	1.2
81.07054	2.1
82.06573	1.6
83.05006	0.8
84.04507	2.8
84.08147	100.0
85.02908	4.6
85.08464	1.0
86.06072	1.8
86.09712	28.8
88.04004	2.3
90.05580	0.7
91.05490	3.2
93.07047	1.9
94.06571	3.6
94.07451	0.7
95.05014	0.9
95.08623	1.5
96.04482	0.6
96.08126	1.5
97.02882	1.6
97.06560	0.9
97.08935	1.3
98.09692	3.6
98.21500	1.4
98.97589	2.2
101.07158	3.6
102.05565	1.1
105.07032	1.6
106.06566	0.6
107.08569	0.9
108.08110	0.6
109.06549	0.7
109.10109	0.6
110.06049	1.3
110.07173	1.2
110.09676	2.9
111.08125	0.7
112.07594	0.9
112.11249	0.8
113.07132	0.7
114.05502	0.6
114.09180	1.4
115.04002	0.6
116.07081	1.3
116.98643	0.5
117.07060	1.0
119.04964	2.6
119.08556	0.8
120.08109	2.5
121.10122	0.6
124.11228	1.1
125.09711	0.7
126.09160	27.8
127.03963	1.7
127.05058	7.8
129.01878	0.8
129.10243	1.8
130.05038	0.7
132.06578	1.4
132.10222	1.7
134.09676	1.1
135.08098	0.9
136.07600	1.1
137.05971	0.7
141.10245	1.0
141.13919	1.1
145.06142	1.8
147.04425	5.7
155.08194	1.0
158.99713	0.7
169.09802	0.8
173.05615	3.3
174.12808	1.1
175.03920	1.0
177.05835	0.9
178.15971	0.9
187.10841	1.3
187.14433	3.4
189.12376	2.0
192.13791	0.7
197.09366	2.9
205.12102	0.7
207.06607	2.3
215.10204	3.0
215.13887	3.7
225.07597	1.5
226.11940	1.3
231.17053	5.7
233.15005	1.2
236.20193	0.8
244.13023	2.6
246.17061	1.5
248.20139	1.1
251.21204	0.9
259.21863	0.6
260.18558	1.0
262.11642	0.6
271.21875	1.4
272.12494	5.1
272.15848	0.8
272.20230	0.7
277.22784	2.9
282.18085	3.5
289.22720	2.4
290.21057	0.8
300.18994	0.7
310.17722	2.1
311.06717	1.9
311.23111	1.0
325.24890	11.2
329.07886	2.0
343.25986	2.2
349.24994	1.3
361.27057	2.5
367.26205	4.6
368.24481	0.6
373.04700	0.7
385.27014	61.9
386.26297	1.9
403.15826	43.4
403.28082	82.0
404.15979	0.8
404.26672	2.8
429.91544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2805
Annotation	Broussonetine I
Peak:m/z	Relative Intensity
51.01810	0.4
55.05505	0.9
56.05044	2.8
57.03423	0.4
60.04534	2.0
67.05505	0.9
68.05007	0.4
69.03422	0.4
69.07080	0.7
70.02749	1.5
70.06605	1.7
72.08157	3.2
74.06073	0.4
77.54983	0.4
79.05501	0.9
79.60455	0.3
80.05029	0.4
81.07061	1.0
82.06580	0.5
84.04510	1.5
84.08145	45.1
85.02933	0.8
86.09702	3.3
91.05463	0.8
93.07050	1.0
94.06571	1.0
95.08613	0.8
96.08141	1.2
97.08924	0.7
98.09704	3.0
98.97588	1.0
105.07041	0.4
108.08147	0.6
110.09684	2.7
111.10471	0.4
114.05545	0.6
114.09168	0.8
116.98608	0.5
120.08112	0.5
121.06506	0.8
122.09680	0.6
123.10509	0.5
124.11245	0.5
128.98647	0.3
129.10237	0.6
131.25542	0.3
132.06572	0.5
134.09650	0.4
136.11226	0.5
138.12776	0.5
150.12862	0.4
167.07053	0.4
172.13409	0.6
173.12866	1.3
174.12814	0.8
178.15935	0.7
182.15379	0.6
192.13802	0.6
192.17509	0.6
199.19891	0.4
201.12372	0.8
203.13878	1.0
205.12234	0.4
219.01727	0.5
228.15942	1.3
229.15387	0.4
236.20137	0.8
246.16994	2.7
248.20193	0.7
251.21217	0.7
254.09178	0.4
259.21799	0.4
270.16953	2.9
271.21634	1.0
277.22714	0.7
284.18781	0.3
288.17981	0.7
289.22845	1.9
291.95300	0.3
307.23880	1.1
317.09207	1.4
323.23059	0.4
325.24847	5.7
335.10071	0.4
343.25955	1.1
349.24634	1.7
361.27054	1.2
367.25931	14.1
385.26950	4.7
403.28040	100.0
404.28442	1.5
405.59766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2481
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
50.40706	1.4
53.03939	3.3
55.01882	10.8
55.05511	70.8
57.03434	6.5
59.17408	1.3
65.03946	2.2
67.05507	39.5
69.03428	6.1
69.07073	12.8
69.35651	12.8
71.05012	2.3
79.05495	44.1
81.03432	1.6
81.07061	30.0
83.04996	6.2
83.08622	32.1
85.06544	4.6
85.60619	1.5
91.05477	21.5
93.07047	16.1
95.04978	5.5
95.08610	11.7
97.06521	4.1
97.09539	3.1
97.10176	56.3
99.08045	1.4
103.05482	12.4
105.07036	17.1
107.04981	3.5
107.08607	29.6
109.06559	4.4
109.10160	10.2
111.08098	3.2
113.06065	2.8
115.05439	8.4
117.07018	25.7
119.08589	14.1
121.06548	2.9
121.10107	1.9
123.08095	2.7
125.09636	50.8
128.06227	5.8
129.06996	15.7
131.04909	9.5
131.08575	17.1
133.06483	7.5
133.10155	4.0
135.08061	9.9
137.09668	2.7
141.06981	8.6
143.08586	10.5
143.10678	4.3
145.06494	12.4
145.10115	8.2
147.08054	3.9
147.11726	3.3
149.09656	3.7
153.07114	1.8
153.09113	5.7
154.07799	1.8
155.08549	8.0
157.06534	4.9
157.10202	7.1
157.11282	1.7
159.08090	6.5
159.11702	2.7
161.09618	3.4
167.08617	3.4
168.72913	1.6
169.10129	7.9
171.10223	5.7
171.11717	3.8
173.09692	1.8
173.11826	3.2
173.13234	3.6
181.10068	2.8
183.11766	3.5
185.13266	4.3
187.14847	14.7
189.11221	46.7
189.12924	2.7
195.11743	3.7
197.09541	1.7
197.13254	12.4
201.12804	4.4
203.14302	9.3
207.11671	1.7
209.13219	1.9
211.14912	2.2
213.12671	9.4
215.14322	100.0
216.14644	2.7
222.97629	1.5
223.11174	3.6
223.14766	2.6
224.89328	1.6
225.12749	1.7
225.16599	1.6
227.14432	2.1
229.07596	2.7
231.13860	2.9
233.13361	2.4
233.15431	9.8
235.14754	2.5
239.14326	1.9
241.12247	6.5
257.15424	2.2
259.13321	9.4
266.75174	1.5
271.17270	1.6
321.22284	2.6
331.20386	2.6
339.23254	6.7
349.21704	13.1
357.24393	3.1
367.22672	59.7
385.18765	3.7
385.23740	73.9
386.24066	1.7
403.20761	4.7
403.24918	52.4
407.17126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2484
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
53.03973	2.0
55.01867	5.1
55.05514	27.3
57.03453	1.2
59.05017	1.3
63.66493	0.6
65.03959	1.3
67.05508	22.4
69.03420	3.6
69.07069	6.5
70.06611	1.1
71.05026	1.9
71.57542	1.1
79.05498	26.7
81.03434	5.3
81.07058	20.8
83.05022	2.8
83.08624	13.3
84.08164	1.1
85.02959	1.3
85.06561	1.6
87.04501	0.8
91.05479	15.3
91.05987	0.9
91.09951	0.8
92.84305	0.7
93.07049	14.9
95.04967	7.3
95.08607	9.7
95.09139	0.7
95.46262	0.8
97.06544	5.4
97.10178	19.3
97.10754	1.2
98.97647	1.3
99.08145	0.8
103.05488	1.6
105.07037	11.5
107.04967	10.9
107.08601	15.1
107.09284	0.8
109.02895	1.0
109.06573	2.7
109.10175	4.4
111.04517	0.9
111.08145	2.6
113.06049	1.4
115.05495	2.9
116.10763	2.1
117.07031	8.0
119.04991	1.6
119.08594	7.4
121.06516	8.7
121.10139	5.0
122.54749	0.7
123.04487	1.5
123.08059	3.5
123.11740	1.1
125.09628	14.5
125.10526	0.7
127.03949	0.8
128.06291	2.6
129.01868	1.2
129.07007	8.7
129.07738	0.8
131.04916	5.7
131.08589	8.7
131.91226	0.7
132.05751	0.7
133.06497	5.0
133.10132	4.7
133.66942	0.9
135.08051	4.4
135.11743	2.1
137.05997	0.9
137.09674	1.2
141.07037	3.7
142.07866	0.7
143.08586	5.6
143.10652	1.1
144.05766	1.2
145.06497	20.7
145.10141	5.0
147.04463	3.0
147.08054	5.7
147.11676	5.6
149.06062	1.4
149.09692	3.2
153.05623	0.8
153.07002	1.0
153.09116	3.3
153.12825	2.5
155.08560	3.4
157.06493	4.4
157.10132	4.4
159.04451	1.4
159.08073	5.1
159.11755	2.4
161.05989	3.7
161.09654	2.2
163.07605	1.2
163.11256	2.8
165.06978	1.1
165.12798	1.9
167.07077	2.7
167.08633	2.5
169.06538	2.5
169.10143	4.1
171.08083	4.7
171.10280	1.6
171.11751	1.8
173.05995	1.1
173.09662	2.6
175.07596	1.4
175.11263	2.4
177.12871	2.5
179.08551	1.5
181.05061	0.9
181.06493	1.2
181.10204	2.9
181.12270	0.9
183.08110	2.3
183.11694	1.7
185.09694	2.9
185.13310	0.9
187.11237	2.8
187.14821	1.4
189.09442	1.4
189.11288	6.9
189.12743	1.4
193.08620	0.8
193.12257	7.0
195.08180	1.6
195.11800	3.9
195.13744	1.1
197.09721	1.7
197.13252	4.1
199.07637	0.8
199.11171	3.3
203.07019	1.1
203.14221	1.2
203.83174	0.7
205.12314	1.7
207.11751	1.6
209.09584	1.5
209.13206	0.9
211.11234	2.8
211.13371	2.5
213.12793	2.5
215.14334	5.3
217.12474	0.9
219.11731	0.8
221.13367	1.2
223.11211	2.8
223.13380	2.4
225.12720	2.2
227.14316	2.0
229.07547	1.6
230.03462	0.7
231.13809	1.7
233.15367	6.2
235.11316	1.1
237.12781	4.9
237.16614	0.7
239.14345	1.7
241.12279	1.2
241.14314	4.5
243.14017	1.7
245.15453	1.1
251.14326	0.9
252.22406	0.7
255.13855	6.8
257.15482	2.4
259.13336	2.7
261.15036	0.8
272.64822	0.7
273.14886	16.9
275.16516	1.3
281.15405	1.6
283.17090	0.9
287.16470	1.7
289.18121	1.2
299.16461	0.8
321.22205	1.7
331.20609	2.1
339.23239	7.2
349.21634	22.2
357.24341	4.6
367.22699	73.8
368.23022	1.5
385.23755	100.0
386.23929	1.3
403.13770	1.8
403.24780	46.8
404.25354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2478
Annotation	Macrolactin G
Peak:m/z	Relative Intensity
53.03940	3.2
55.01876	13.2
55.05512	76.2
57.03427	5.1
59.04992	2.3
65.03910	2.3
67.05505	45.6
69.03419	6.5
69.07069	19.9
71.57258	3.2
79.05058	3.9
79.05495	47.7
81.07061	39.2
83.04987	6.9
83.08625	33.9
91.05481	19.7
93.07044	20.9
93.45674	1.8
95.04948	2.5
95.08591	12.3
97.06522	4.7
97.10171	61.4
103.05477	15.9
105.03403	2.0
105.07028	15.3
107.08595	27.4
109.06501	2.0
109.10169	7.6
111.08150	2.1
113.00017	10.9
113.05978	2.4
115.05468	7.6
117.07024	29.9
118.97562	1.8
119.08572	8.0
121.06525	1.9
121.10089	3.4
123.08040	3.3
125.09626	49.6
128.06259	4.1
129.07021	18.4
131.04938	6.4
131.08566	17.2
133.06435	5.2
133.10170	3.6
135.08067	7.5
141.07014	9.5
143.08569	10.9
143.10753	2.6
145.06490	12.8
145.10153	7.2
147.07956	3.0
149.09650	6.9
153.09091	8.2
154.07864	2.2
155.08563	9.6
157.06476	3.3
157.10092	2.8
159.11711	4.0
161.09552	3.6
166.74062	1.9
167.08609	5.2
169.02655	11.3
169.10141	6.8
171.10239	4.5
171.11565	3.5
173.09703	2.5
181.10191	3.7
183.11772	3.8
185.13255	6.2
187.14838	8.5
189.11214	44.3
189.12910	2.4
195.11600	4.2
197.13242	17.0
209.13261	4.6
213.12770	10.3
215.14314	87.2
221.13248	3.5
223.11211	7.3
225.12698	2.7
231.13853	3.7
233.15417	5.1
235.14827	3.8
235.20651	3.0
241.12315	9.7
255.13643	2.5
257.15503	2.3
259.13315	5.9
273.14725	2.3
294.21448	10.7
321.22211	4.9
331.20645	3.5
339.23431	9.1
349.21625	30.4
367.22693	100.0
385.23709	75.5
403.24332	21.4
419.17416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1027
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
55.01880	0.8
55.22064	0.5
56.96576	0.8
57.03416	0.7
65.63038	0.5
68.99795	0.5
69.03405	1.6
69.42036	3.0
69.42446	1.0
73.02917	1.2
79.01865	3.1
81.03419	1.1
84.08145	0.8
85.02890	1.9
91.05490	0.8
95.08639	0.5
97.02888	1.0
98.97568	1.6
105.07043	1.8
109.02952	0.5
110.97679	0.5
116.98629	0.6
119.04953	2.5
120.05742	0.6
121.01993	0.9
121.02874	17.1
132.00534	0.5
138.03078	0.8
145.02867	2.2
147.04413	0.7
157.06522	0.6
162.60764	0.5
163.03967	1.0
165.01691	0.5
177.05496	0.6
179.03505	1.0
187.03825	1.0
189.01741	0.8
190.02931	0.5
191.03308	0.9
195.02907	0.8
205.04948	3.2
211.07613	0.8
213.05475	3.5
220.06610	0.6
227.06892	1.2
228.07837	1.2
229.05011	1.0
231.02876	2.9
241.04913	0.8
243.06589	1.7
247.05992	2.1
249.03969	1.6
251.07104	0.6
255.06503	5.6
256.07312	8.8
270.05136	0.7
271.06009	2.3
279.06467	1.0
283.06018	46.0
284.06778	35.3
285.07416	2.6
295.06036	16.1
297.07590	26.4
297.10284	0.3
298.04782	0.9
298.07767	0.7
305.08087	2.2
307.06104	1.2
308.06845	1.6
309.07587	3.1
311.05472	2.6
311.09167	7.5
313.07062	66.1
314.07437	0.8
316.05914	0.7
321.07596	5.2
323.05441	2.3
323.08658	0.6
324.06152	1.0
325.07138	9.8
327.08612	1.1
337.07065	16.9
339.08661	6.9
343.08133	9.5
349.07089	5.2
355.08179	1.1
367.08142	61.4
368.08234	0.9
385.09180	42.8
386.09528	0.9
403.10251	100.0
404.10553	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	403.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85502	2.5
55.62473	2.0
56.05030	2.3
56.96572	2.0
62.06076	4.1
69.03419	2.4
70.06599	5.0
70.21603	1.9
71.55424	2.4
72.08164	3.6
80.17883	1.8
84.04527	2.4
84.08149	27.4
85.02897	2.9
86.09707	7.5
91.05465	2.2
98.97590	2.5
101.00902	2.5
119.01907	4.4
119.04955	3.4
129.03944	3.0
131.01859	2.0
143.05478	2.6
145.64409	1.9
147.04463	7.2
169.03508	1.9
171.05028	2.8
173.03029	2.2
185.03038	2.6
215.03978	3.5
245.05200	3.3
247.04887	2.8
257.05051	4.6
261.56509	2.4
317.09256	2.7
359.10724	6.1
367.25894	8.0
403.09991	100.0
403.23361	3.7
403.28009	57.2
404.10260	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	402.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04539	37.8
55.05506	69.2
67.59281	49.0
69.07055	50.7
69.96959	48.7
71.56699	73.8
78.93447	46.4
79.05473	50.5
81.07046	66.1
91.05483	58.7
93.07040	50.3
95.08560	59.3
98.72554	48.9
118.50587	43.2
119.08577	54.9
123.23064	50.8
211.19112	48.4
213.14912	57.7
258.59616	52.4
293.21164	100.0
349.53769	47.2
400.78717	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27946	0.3
54.66871	0.3
55.05502	0.6
55.72756	0.3
57.03430	0.4
57.06822	0.5
57.07077	6.6
57.75657	0.3
58.06609	1.5
59.09400	0.3
59.95487	0.3
67.05489	0.8
69.07056	1.0
69.24221	1.4
69.24644	1.3
70.06596	14.1
71.08292	0.3
71.08637	4.0
72.08158	0.7
78.29276	0.3
80.43729	0.3
81.07045	1.1
83.08609	0.8
85.02914	0.3
88.07636	20.0
95.08586	1.1
96.08943	0.5
97.02889	1.0
97.10165	0.6
98.03194	0.7
102.09187	11.4
109.10133	0.6
128.04271	0.4
130.57309	0.3
132.10210	1.0
143.04709	0.3
143.13986	0.3
146.11769	0.5
147.32512	0.3
148.90233	0.3
150.11259	1.0
239.23672	0.9
240.24074	2.3
296.33038	0.7
314.34177	0.5
340.35748	40.1
341.36035	0.6
379.18005	0.4
384.38361	3.0
402.39429	100.0
403.39960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.9
55.05514	40.9
57.03440	30.0
57.03667	5.3
63.85741	4.9
65.03941	6.4
67.05170	9.7
67.05504	86.7
69.03415	7.2
69.07068	49.2
70.28146	18.6
70.70010	4.2
75.66119	4.3
79.05492	70.1
81.03400	11.3
81.07063	92.6
83.04974	13.1
83.08613	14.5
85.06531	7.0
91.05480	46.1
93.07049	80.6
93.09376	5.8
95.04991	9.9
95.08605	50.3
97.06543	24.0
97.10165	12.4
98.75298	5.2
105.07017	45.8
107.04956	5.7
107.08597	57.5
109.06532	9.4
109.10131	17.7
111.08061	6.7
117.07054	28.1
119.08577	33.2
121.10177	29.6
125.09620	11.9
131.08583	26.6
133.10126	26.4
135.08049	10.0
135.11679	27.7
143.08559	5.9
145.10112	24.6
145.40921	5.0
147.11684	20.7
149.09601	20.5
149.13258	26.3
157.10170	6.2
159.11710	29.5
161.13307	6.9
163.11160	15.8
170.06950	6.4
173.13284	11.2
177.12770	16.2
179.14391	8.2
181.12370	5.4
189.11169	8.1
195.13831	8.2
227.12778	13.9
229.14374	6.6
239.18005	10.4
255.15904	53.6
257.19031	17.5
269.17474	100.0
275.20105	56.0
286.20157	7.4
328.65302	5.0
349.23724	62.4
367.24677	9.0
384.27066	9.3
388.46658	5.8
403.74237	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.9
55.01872	9.0
55.05525	41.0
57.03428	26.4
67.05507	100.0
69.03423	11.8
69.07070	55.7
70.49767	24.3
79.05495	58.5
80.06970	7.0
81.07063	92.4
83.04982	13.4
83.08608	17.1
85.06552	8.8
91.05495	60.0
92.32338	6.3
93.07047	71.8
95.04941	10.9
95.08616	38.6
97.06510	24.0
97.10137	13.3
105.07030	51.8
107.04956	12.3
107.08599	55.9
109.06505	8.0
109.10137	27.0
117.07012	20.2
119.08591	36.4
121.10151	26.4
123.08121	9.3
125.09654	11.4
129.06947	9.5
131.08542	27.6
133.10118	31.2
135.11708	21.5
138.12842	7.6
143.08546	12.2
145.10159	17.8
147.11635	19.4
149.09613	14.8
149.13280	23.8
159.11685	23.7
163.11047	15.1
173.13272	15.0
177.12688	13.1
189.11282	8.0
227.12750	10.3
229.14349	13.8
252.81496	7.2
255.15948	37.8
257.19083	14.4
269.17429	65.4
275.20065	52.3
286.20096	11.2
349.23633	49.9
367.24500	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95578	1.7
53.03937	2.6
55.01859	7.8
55.05263	2.7
55.05513	35.9
57.03434	8.9
62.06089	1.8
65.03949	3.0
67.05510	28.8
69.03423	2.7
69.07072	16.1
71.04983	2.3
71.57391	2.1
79.05499	35.8
81.03400	3.9
81.07065	23.7
81.82619	1.7
83.04972	5.8
83.08628	20.3
85.02912	2.6
85.06564	1.9
91.05489	22.5
93.07052	24.3
95.04974	4.4
95.08604	13.5
97.02893	2.9
97.06510	6.0
97.10174	40.2
97.22781	2.1
105.07031	21.9
107.04945	5.2
107.08601	61.9
109.06518	3.3
109.10159	8.5
111.08079	2.8
117.07036	8.8
119.08580	13.5
121.10180	10.1
125.09641	33.2
129.07022	3.2
131.08530	7.6
133.10167	11.5
135.08063	4.5
135.11652	2.5
143.08580	2.4
145.10106	18.1
147.11719	11.5
149.09628	8.8
157.10135	3.2
159.11700	7.2
161.13358	3.2
163.11241	4.0
165.53825	2.0
169.10014	3.2
171.10277	4.6
171.11639	4.0
173.13203	2.3
183.11765	4.5
185.13327	2.6
189.11217	20.8
196.64558	1.9
197.13066	2.3
227.12790	35.9
227.86310	2.0
239.17999	4.4
245.13879	16.5
255.15749	2.6
257.18985	22.0
275.20062	44.6
293.20963	1.8
349.23752	100.0
350.23706	4.0
367.24741	6.6
402.26376	6.7
403.24811	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	402.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03193	1.7
57.03444	20.0
59.04998	1.4
60.82243	1.4
61.02924	7.0
64.65419	1.1
69.03436	20.2
69.81681	2.9
69.82095	3.2
70.06583	4.2
71.01349	2.1
71.04942	1.5
72.08162	15.5
73.02924	47.1
73.06561	100.0
81.03418	2.4
84.08161	2.5
85.02912	39.4
86.09703	5.2
91.05473	1.2
91.07595	17.0
97.02280	2.6
97.02901	38.6
99.04485	1.7
100.98241	1.0
109.02843	3.6
115.03941	28.4
119.04952	1.4
127.03933	12.4
133.04968	7.8
145.04984	12.4
147.04407	3.2
157.13350	1.2
163.06020	6.0
167.85518	1.0
169.09651	1.8
186.12355	1.5
187.09657	2.7
189.12390	1.5
214.11926	7.6
223.06032	2.7
223.11797	2.9
241.07100	4.3
253.12871	11.7
259.08060	5.3
295.10233	5.2
313.18863	1.6
339.92914	1.2
401.68350	1.0
402.23184	1.4
402.27173	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01873	1.0
55.05510	17.1
57.03440	6.4
57.07076	100.0
61.02937	1.3
65.03959	0.7
67.05504	37.1
69.03427	22.3
69.07068	22.9
71.04991	4.5
71.08631	80.1
73.02932	1.9
75.16313	0.7
79.05508	3.8
81.03417	25.9
81.07056	54.3
83.08619	38.0
85.02906	30.4
85.06561	2.0
85.10181	42.1
88.07659	0.9
88.57451	0.8
89.04993	0.7
91.05498	0.9
93.07052	3.1
95.08604	72.6
97.02895	16.5
97.10166	20.7
97.10760	1.2
98.21593	1.5
99.04446	10.8
99.08141	0.8
99.11735	3.8
105.07065	1.5
107.08546	0.8
107.20129	0.7
109.02886	11.1
109.10151	36.8
111.11740	6.1
113.13343	0.9
123.11701	18.4
125.13282	5.1
127.03916	26.5
131.08646	1.3
131.17957	0.8
137.13261	9.1
138.59612	0.7
139.14838	1.9
141.16425	0.9
145.04991	10.0
151.14801	4.7
165.16434	2.6
168.27498	0.7
179.18005	1.2
213.80443	0.8
221.22601	6.0
239.23686	61.1
240.24168	0.8
256.03162	0.7
257.24707	4.3
280.16470	0.7
298.27472	1.4
309.82336	0.8
341.26981	3.1
383.27972	16.4
383.32651	1.0
390.40067	0.7
401.29636	4.6
401.38443	2.7
419.70062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.05507	13.6
66.59834	4.1
67.05495	18.7
69.07057	19.7
69.58814	32.0
71.04981	13.1
74.77113	4.0
76.02746	4.2
79.05507	21.7
81.07059	35.1
83.08607	7.2
89.45293	4.3
90.07143	4.2
91.05487	52.2
93.07047	60.3
95.04974	8.7
95.08629	21.9
97.06561	5.5
105.07031	88.6
107.08589	48.4
109.06525	70.0
109.10172	13.9
111.08102	6.3
115.05447	7.0
117.07028	32.3
119.08590	86.6
121.10160	17.6
123.08052	8.3
128.06186	14.6
129.07011	23.5
130.07779	13.2
131.08589	75.5
133.10144	100.0
135.08064	12.7
135.11679	31.7
137.09613	4.9
137.46448	4.8
139.16631	4.3
141.06943	8.4
142.07771	28.4
143.08572	53.4
144.09332	10.3
145.10115	88.2
147.08020	10.0
147.11728	21.9
153.07047	7.5
155.08559	16.1
156.09343	17.4
157.10138	61.3
158.10939	15.0
159.11676	33.8
161.09641	8.7
165.06909	10.1
167.08524	10.3
168.09364	6.8
169.10126	20.3
170.10893	12.6
171.11766	26.6
172.12453	6.2
173.13278	47.2
175.14847	20.3
179.08600	6.3
180.09311	8.1
181.10110	15.6
182.10912	8.9
183.11685	24.7
185.13258	20.6
187.14822	45.0
191.08591	5.4
191.30920	4.2
192.09482	4.4
193.10065	9.6
194.11032	11.4
195.11719	17.8
197.13272	16.2
199.14790	28.4
201.12743	5.5
206.10825	5.3
207.11685	11.4
209.13272	28.5
210.14012	5.5
211.14845	11.0
213.16438	5.6
221.13231	17.4
223.14827	13.6
231.11864	5.9
235.14880	6.1
237.16422	14.0
239.17981	5.7
251.17841	5.1
265.19482	7.1
279.20834	7.8
383.25604	6.3
401.17972	7.5
401.28546	32.6
401.37955	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	401.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01881	0.3
55.05518	0.8
55.18949	0.2
56.05035	3.7
56.96564	0.8
57.03437	0.7
61.02934	0.4
67.05497	1.0
69.03432	1.3
69.07079	0.5
70.06252	0.4
70.06599	5.5
70.24705	1.0
71.04971	0.3
71.06936	0.4
72.08165	2.1
73.02906	0.8
74.06080	0.6
79.05499	0.3
80.05006	0.3
81.03416	0.6
81.07064	0.3
82.06550	0.3
83.04983	0.4
84.04504	0.5
84.08148	100.0
85.02911	2.7
85.08474	0.6
86.09711	3.9
87.04440	0.4
88.04002	0.3
91.03981	0.3
91.05458	0.6
93.07061	0.4
93.17550	0.2
94.06594	0.4
94.42699	0.2
97.02886	1.0
98.09744	0.4
98.20854	0.3
98.97585	1.0
103.05481	0.4
105.07038	0.5
107.04959	1.0
107.08657	0.4
109.02879	0.4
110.06051	0.2
110.07184	0.6
110.09660	0.6
112.08745	0.6
112.99199	0.3
116.07105	1.0
116.98656	0.3
119.04932	0.5
120.08128	0.6
120.55974	0.3
121.06501	0.3
121.10191	0.2
123.05476	0.2
127.03934	0.7
129.10275	1.0
130.32323	0.3
131.04926	0.5
135.56076	0.2
136.07593	0.9
137.05957	0.4
143.11852	0.2
145.05020	0.3
147.04439	1.3
148.04781	0.5
149.06102	0.3
155.13013	0.3
167.07080	0.7
175.12007	0.3
181.05006	1.1
187.10847	0.4
217.09174	0.3
223.21706	0.3
229.15494	0.6
237.02744	0.3
244.15509	0.3
276.17963	0.6
287.21243	0.3
288.20651	0.4
300.18118	2.0
300.21161	0.3
311.09119	0.3
318.19174	3.7
319.67642	0.3
341.24066	0.3
365.24545	0.4
383.25317	1.1
401.13867	0.7
401.17764	1.0
401.26465	16.6
401.74991	0.3
402.26843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97666	3.7
53.03943	8.2
55.01871	11.3
55.05507	12.6
56.96581	4.4
57.03435	10.2
61.02930	11.1
63.49334	3.5
67.05512	23.5
68.99813	5.1
69.03432	39.0
69.07066	18.3
70.06583	6.4
70.62962	3.7
71.04996	8.9
72.08154	17.1
73.02929	5.9
79.05485	31.4
79.08804	4.8
81.03419	35.9
81.07059	64.2
83.04970	12.6
83.08616	4.8
84.08129	7.3
85.02905	66.2
86.09704	14.5
87.00842	29.3
91.05492	22.8
93.07047	55.5
95.04948	13.3
95.08618	44.9
97.02912	24.2
97.06542	13.8
99.04456	8.5
103.05492	5.0
105.01873	23.5
105.07041	24.6
107.04957	31.7
107.08602	75.4
109.02859	20.2
109.06541	7.0
109.10169	20.5
110.07230	4.1
110.09723	4.6
111.04435	7.1
115.03977	5.7
115.05449	7.5
117.07037	9.3
119.08606	16.0
120.08136	6.0
121.06485	7.0
121.10149	11.2
123.04429	12.4
123.08082	6.9
124.05243	4.7
124.57307	4.1
125.09666	4.1
127.03932	32.0
128.06206	4.5
129.07033	9.4
131.08562	16.6
133.06535	6.9
133.10147	9.4
135.11687	42.3
137.05925	5.5
137.13258	11.7
139.69711	4.1
143.08565	4.9
145.04962	11.7
145.06468	6.7
145.10124	4.9
147.02872	4.2
147.04401	8.4
147.08047	4.8
147.11697	18.7
149.05937	5.8
151.11217	5.2
153.05554	4.8
153.12788	14.1
156.05670	12.3
157.10139	5.9
159.02907	13.4
159.08087	14.9
159.11671	7.0
163.11220	15.8
163.13219	3.8
165.12729	19.6
167.07043	79.8
169.09917	5.1
175.11230	6.2
177.12698	5.3
185.09622	4.7
186.06775	4.0
187.07515	7.9
193.12221	7.3
197.13242	4.3
205.06549	5.3
205.08585	14.9
208.05237	16.6
217.08589	21.8
219.08095	10.9
219.10199	4.2
219.13779	5.1
231.04973	5.2
231.08177	5.5
233.09555	5.1
236.04689	5.5
237.08945	5.4
243.13843	10.9
247.07512	10.8
247.09755	15.1
248.08365	8.1
254.05798	5.2
259.18384	4.4
261.14902	34.3
262.09775	5.7
263.10629	5.5
264.07822	6.4
267.06439	10.0
269.08081	30.9
275.07150	5.3
276.07648	6.3
279.93506	4.8
282.05411	5.4
282.08841	9.0
291.10236	11.4
293.08044	6.9
305.08554	5.0
307.09631	9.8
308.10355	5.7
315.08640	96.2
319.09650	7.7
321.16925	13.9
322.08521	5.8
323.12869	12.4
328.09341	5.1
330.10934	100.0
331.11670	13.2
337.10632	9.1
339.12277	12.2
343.11676	17.7
347.14917	30.7
351.12335	22.0
353.10034	6.0
365.15875	16.2
368.12579	4.8
369.13123	5.0
371.14975	6.3
383.14752	62.2
383.25522	12.6
401.15842	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.5
55.01864	18.8
55.05498	16.5
55.50322	5.2
57.03432	9.9
57.07078	6.2
58.00723	4.6
61.02916	15.5
62.90786	4.5
67.05497	17.3
68.99776	15.2
69.03433	59.8
69.07076	27.7
70.06583	7.3
70.61437	14.5
71.04991	12.5
72.08150	28.5
73.02917	10.2
74.82326	4.5
79.05493	19.5
81.03424	46.5
81.07064	62.0
83.04991	9.1
83.08624	8.8
84.08143	6.4
85.02431	7.3
85.02915	100.0
86.09721	47.2
87.00839	50.1
91.05472	23.0
93.07048	69.9
94.06598	6.2
95.04962	12.3
95.08618	37.8
97.02908	52.0
97.06549	26.3
99.04459	18.5
104.68703	5.2
105.01888	50.0
105.07035	34.1
107.08599	88.3
109.02877	38.2
109.06509	17.0
109.10162	19.5
111.04417	5.3
115.03954	7.2
117.07018	7.1
119.04921	5.6
119.08587	23.3
121.06522	6.2
121.10153	9.6
123.04414	12.1
123.08081	9.1
127.03932	81.9
129.01797	9.6
131.08588	10.0
133.06129	5.9
133.10098	9.1
135.11710	67.3
137.09619	8.5
137.13269	8.0
143.08591	5.2
143.11800	13.8
144.59776	5.0
145.04971	26.2
145.10115	12.4
147.02908	9.3
147.04451	7.1
147.11629	12.8
149.09685	7.2
151.11194	5.6
153.12825	27.5
157.10106	8.0
159.02901	22.0
159.11717	10.1
163.11182	19.6
165.12767	18.7
167.07019	5.6
171.11246	9.5
173.09610	5.7
175.11195	9.1
189.12709	5.5
193.12268	5.7
201.12816	7.1
207.29071	5.5
219.13795	8.3
231.04945	4.8
231.16982	7.4
233.15483	7.0
243.13768	14.9
261.14868	51.2
297.16864	5.6
321.16946	16.9
330.11148	5.2
347.15045	28.0
365.15845	18.7
383.16891	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	401.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01869	1.1
55.05505	1.2
56.05030	2.3
56.96563	1.5
57.03437	1.6
58.76055	0.4
60.04525	1.1
60.05643	0.5
61.02931	2.5
63.79282	0.3
65.03921	0.5
67.05500	0.9
69.03430	4.8
69.07073	0.5
70.06248	0.7
70.06597	9.2
71.04982	0.9
71.56505	0.4
72.08160	6.0
73.02910	1.9
74.06085	0.4
79.05499	1.2
80.05043	0.4
81.03426	1.6
81.07071	0.7
83.05010	0.5
84.04505	1.0
84.08148	54.5
84.96041	0.4
85.02912	9.6
85.75875	0.4
86.03214	0.4
86.09711	4.4
87.04476	0.7
87.05593	0.4
88.04006	0.4
91.03959	1.5
91.05492	1.0
93.07063	1.3
95.04971	0.8
95.08581	0.5
97.02887	4.4
97.06535	0.5
98.97584	4.0
99.04469	1.3
103.05450	2.2
104.05807	0.9
105.06162	0.4
105.07048	1.2
107.04980	1.2
107.08610	0.9
109.02881	0.9
109.10152	0.4
110.07159	0.4
110.97604	1.1
112.08747	1.6
114.09138	0.8
115.03897	0.8
116.07102	2.6
116.98634	1.6
119.04958	0.5
119.08590	0.8
120.08154	0.8
121.06534	0.5
121.10175	0.8
123.00822	0.4
123.04491	0.4
123.08044	0.4
127.03965	2.1
128.04250	0.4
128.98621	0.7
129.10265	1.2
131.04935	4.0
131.08661	0.5
132.05304	2.2
132.06187	0.3
133.05627	0.6
135.08057	0.7
136.07626	0.7
137.06018	0.4
140.04761	0.6
143.00217	0.5
145.04933	1.8
146.99638	0.4
147.04462	0.8
147.11693	0.5
149.05893	0.6
155.07121	0.6
158.99747	0.5
159.11285	1.9
161.01320	0.4
161.02982	0.4
163.07545	1.7
164.07924	0.7
165.08168	0.7
167.07085	1.9
169.51671	0.4
173.13336	0.5
177.00732	0.9
177.05493	0.6
181.04965	8.8
187.10835	2.0
189.00710	0.8
195.10136	0.4
207.06387	0.9
209.08134	0.6
213.11246	0.9
214.05072	0.5
214.06921	0.4
215.13930	0.6
219.01869	1.5
223.05449	1.9
223.55653	0.4
225.17145	0.8
229.15553	0.7
233.93063	0.4
237.02843	1.3
244.15326	0.4
267.05499	0.6
268.02405	0.6
269.07022	0.6
271.17599	0.5
283.04886	0.5
286.17731	1.1
287.08041	0.7
287.21280	0.5
288.20447	0.7
289.05994	0.4
300.18146	1.1
318.19260	1.7
320.10187	4.2
320.19714	0.4
325.05930	0.5
347.23730	0.4
383.14374	0.4
383.25546	0.7
390.50827	0.5
391.16180	0.4
401.17886	100.0
401.26666	11.2
402.18158	1.7
409.17590	0.5
413.11346	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.41457	1.9
51.44696	1.8
53.01508	1.8
53.03938	2.4
55.01854	2.8
61.02917	1.9
67.05479	2.9
67.48520	2.0
69.03426	4.7
69.45804	5.0
69.46216	8.0
70.06604	2.8
71.04984	2.1
72.08121	2.9
78.04731	2.3
79.05503	11.8
80.00792	1.8
81.03426	3.4
81.07056	9.4
81.62436	1.7
84.40519	1.7
85.02898	8.2
86.09715	3.3
87.00822	2.0
91.05475	7.8
93.07031	6.3
95.04964	4.6
95.08611	3.9
97.02898	3.0
97.06525	1.8
105.07013	5.8
107.04961	22.7
107.08594	7.7
109.02866	2.6
109.06531	4.4
109.10160	3.8
115.05432	3.4
117.07002	4.6
119.04913	2.0
119.08599	3.5
120.08079	1.8
123.04440	6.0
124.05220	5.8
127.03914	3.1
129.07011	5.9
131.08557	7.2
135.11714	5.9
135.17950	2.0
137.05943	2.3
141.06946	3.1
144.05713	5.8
145.06462	6.0
145.10127	2.3
147.04356	2.8
152.04727	2.1
156.05695	8.1
157.06537	2.3
159.08052	11.0
161.05978	3.0
163.03865	2.2
165.05498	2.1
165.06944	2.5
167.07039	76.5
169.06490	3.1
170.07353	2.2
173.06061	2.6
179.07018	3.5
186.06697	2.9
187.07564	7.2
191.06967	2.3
193.08519	2.3
195.06580	2.8
202.06142	3.0
203.08601	3.0
205.06790	2.8
205.08614	10.4
207.06557	5.1
208.05191	19.7
208.08827	3.5
217.08618	25.6
218.07278	3.8
219.08029	7.9
219.10011	3.0
220.08841	2.2
221.06050	3.8
223.11598	3.5
225.05562	2.5
226.06310	2.0
229.08508	3.4
231.08098	5.3
233.09665	4.6
235.07420	3.3
236.04703	9.0
236.08330	4.5
239.07036	4.2
247.07526	10.2
247.09787	12.1
248.08247	8.3
249.05501	2.3
249.08931	2.0
251.10800	3.0
254.05721	12.9
255.06566	3.6
257.01321	1.9
261.09180	4.2
261.14841	5.0
263.10635	6.0
264.07852	6.7
265.08661	3.9
267.06525	6.9
269.08084	26.9
271.06094	2.1
271.09723	5.0
272.06772	3.4
275.06989	5.6
276.07831	6.4
277.08578	6.4
279.10162	6.1
282.05405	4.1
282.08853	11.3
287.09256	3.7
289.08749	2.6
290.09323	3.7
291.10214	15.7
292.07251	4.2
293.08096	5.8
299.09235	3.4
300.06537	3.1
301.07016	3.3
307.06567	2.0
307.09558	9.0
308.10355	5.9
309.07526	2.3
310.08359	6.5
311.12921	2.7
315.08627	97.5
319.09671	6.5
321.07663	3.3
322.08139	2.9
323.12799	10.9
325.10635	3.6
328.09357	6.0
330.10980	100.0
331.11633	8.6
336.09607	2.8
337.10605	3.7
339.12280	8.7
341.13882	2.1
343.11734	16.4
347.14774	2.8
351.12277	22.0
352.13046	4.1
353.10162	6.0
356.12555	4.4
368.12631	7.8
369.13263	4.9
371.14813	6.2
383.14853	66.9
383.25336	4.2
401.15912	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
56.96560	3.8
57.03430	3.6
57.69258	2.4
66.00691	2.8
67.05511	4.6
69.03442	2.8
69.07057	7.7
71.04999	3.0
71.56983	2.9
76.25745	2.5
79.05480	15.5
81.03430	4.0
81.07043	11.5
81.86192	2.4
83.08587	3.3
84.08170	2.9
85.02891	5.3
89.50968	2.7
91.05476	11.1
93.07037	5.8
95.04975	5.6
95.08598	5.9
97.02885	3.8
97.06522	9.1
97.32024	2.9
98.97578	6.6
99.04434	4.3
105.07033	5.4
107.04955	19.6
107.08583	4.9
109.06530	3.2
109.10143	5.5
119.08565	3.7
123.04412	4.8
124.05170	4.5
125.09646	2.9
127.03912	4.7
129.07007	6.4
131.08571	7.7
135.08000	3.6
137.06078	3.8
144.05692	4.9
145.06461	3.7
147.04448	5.6
153.01735	2.7
156.05701	10.4
157.06526	3.1
159.08069	10.6
167.07054	76.3
173.06001	5.4
187.07529	7.4
202.06250	4.8
205.06802	3.5
205.08623	12.0
207.06355	4.1
208.05206	20.7
211.07806	3.3
217.08545	26.1
218.07213	3.4
219.08064	9.1
220.08862	3.8
221.05960	4.5
231.07997	6.3
234.06721	3.5
236.04668	8.0
240.04245	3.0
245.06075	3.2
245.54936	2.7
247.07487	6.8
247.09680	15.3
248.08374	9.3
250.52336	3.0
251.10834	3.3
254.05782	8.8
257.04456	10.0
259.07306	3.2
260.08466	3.0
263.07089	2.9
263.10510	4.3
264.07822	3.2
265.08667	4.4
267.06482	6.6
268.03784	3.9
269.08127	20.7
271.05801	3.1
271.09589	6.3
272.06979	3.1
275.06937	3.8
276.07758	7.9
277.08527	5.5
278.05527	3.5
279.10211	5.6
282.05344	4.8
282.08896	9.1
286.04810	5.8
287.05499	7.8
290.09454	4.1
291.10028	15.7
293.08084	4.6
297.03561	3.2
299.09140	3.2
305.08005	3.4
307.09595	10.0
308.10199	4.4
310.08273	4.9
315.05157	5.7
315.08640	89.2
319.09790	6.2
323.09293	4.4
323.12823	12.1
330.10989	100.0
331.11676	8.0
336.09836	4.3
337.10675	6.9
339.12241	7.6
343.11688	16.3
351.12137	21.0
353.10037	9.1
356.12573	5.2
368.12674	4.2
371.14871	4.3
383.10342	20.7
383.15204	54.7
383.25250	9.8
401.11813	28.6
401.17075	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	400.3786
Annotation	N-hexanoylsphinganine
Peak:m/z	Relative Intensity
54.12166	0.2
55.05514	8.8
56.05022	0.3
57.07085	1.8
58.06610	1.4
67.05494	0.6
69.07068	6.9
70.06595	11.7
71.08623	0.5
71.22346	0.4
72.08148	0.4
74.06073	1.1
81.07049	0.8
83.08620	3.5
84.08148	0.5
86.09715	0.4
88.07632	25.8
93.07040	0.3
95.08598	0.4
97.10189	1.3
100.07631	0.4
102.09181	10.8
111.11728	0.3
115.99320	0.3
129.66605	0.3
132.10229	1.2
135.26453	0.2
136.83594	0.2
146.11739	0.9
150.11282	0.9
157.83122	0.2
160.82829	0.3
169.75694	0.3
196.25771	0.3
247.88716	0.3
294.31552	0.5
297.29901	0.4
320.33099	0.4
338.34161	31.2
339.34369	0.6
382.36874	2.6
400.37860	100.0
401.38242	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	400.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.7
55.05505	29.6
56.96556	16.6
57.03432	19.9
58.24725	10.0
60.04521	22.9
60.05645	20.3
67.05510	68.6
69.03432	17.9
69.07061	34.7
69.65437	47.1
70.06586	10.3
71.04993	20.8
73.22625	9.5
76.19736	9.5
79.05510	46.0
81.07064	100.0
83.04983	16.5
83.08607	17.1
85.06565	11.2
91.05486	68.3
93.07037	46.0
95.05011	13.7
95.08607	43.8
97.06525	26.4
97.10168	10.8
98.21571	11.6
105.07040	63.4
106.43226	9.7
107.04960	16.3
107.08592	53.9
109.10176	71.9
117.06959	11.8
119.08591	30.0
120.08910	11.5
121.10152	17.4
123.11715	14.3
131.08580	19.5
133.06525	12.0
133.10129	96.2
135.11714	16.2
143.08563	9.4
145.10208	13.4
147.00461	9.6
147.11629	10.0
149.09641	21.4
151.11203	52.2
156.10208	36.3
157.10153	11.8
163.11101	13.5
175.11162	13.0
177.09212	10.6
229.14371	10.8
253.14334	54.4
271.15390	78.5
273.18564	53.1
291.19540	32.8
300.75189	10.1
305.21356	12.9
365.23242	74.2
400.25098	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	400.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.9
56.96556	16.6
67.05497	41.2
69.07089	22.3
69.48031	100.0
70.06586	21.1
72.76878	13.1
77.43813	13.0
79.05494	33.9
81.07074	33.9
81.56197	13.9
83.70366	14.0
85.81147	14.8
86.90923	14.1
91.05512	21.2
93.07031	23.7
95.04971	21.3
98.97556	15.5
105.07104	16.1
107.08576	23.6
115.53584	13.9
131.08563	14.5
200.37947	13.1
213.05544	35.2
214.05888	28.5
238.58797	18.9
260.86386	17.3
305.21048	31.6
400.12769	23.3
400.24765	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	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
54.94434	0.8
55.01860	3.0
55.70227	0.9
57.03440	26.3
58.69795	0.8
59.05000	1.0
61.02931	15.3
67.05474	0.8
69.03432	31.2
70.06583	2.0
71.01349	3.1
71.04991	2.1
72.04489	0.8
72.08158	2.0
73.02919	61.0
79.05503	1.6
81.03425	5.6
83.38010	0.7
85.02908	100.0
86.09718	1.7
87.04474	5.2
91.03954	5.4
91.05467	1.2
93.07049	1.0
95.04980	1.3
97.02896	49.2
98.21474	1.6
99.04457	3.5
103.03897	1.0
109.02882	9.5
110.07160	1.3
115.03935	32.4
116.07151	0.8
119.04971	0.9
120.08096	2.0
127.03927	26.7
132.06552	1.4
133.04958	14.2
133.10144	1.0
134.19281	0.9
136.07568	6.7
144.06604	0.9
145.04967	56.5
147.04376	1.3
150.07545	4.3
153.16496	0.8
158.09453	1.0
163.06023	34.3
168.31204	1.0
182.15422	1.0
193.04926	1.1
207.11380	1.3
211.05968	1.0
223.05957	2.2
238.08972	1.1
241.07054	4.2
251.14935	8.8
259.08148	5.5
277.09113	1.1
295.10208	5.7
323.24100	0.8
368.26062	1.0
400.23334	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	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05511	3.7
56.96573	2.4
57.03425	1.5
57.07082	1.6
61.72759	1.1
67.05502	4.4
69.03426	3.3
69.07063	2.2
69.48424	7.9
69.48832	2.2
70.06583	3.6
71.04996	6.6
71.08606	1.8
72.08135	1.5
79.05511	6.4
81.03382	1.6
81.07049	5.3
83.04953	1.7
83.08619	2.2
84.08141	2.3
85.02889	2.5
91.05484	11.8
93.07043	7.8
94.06519	1.4
95.04982	2.3
95.08628	8.7
97.02886	3.5
97.06512	2.7
98.21529	2.5
98.97574	3.8
99.04471	14.0
101.05912	1.2
102.05487	1.4
103.05464	3.7
105.07037	100.0
107.08591	5.4
108.13261	1.3
109.06508	1.5
111.04429	1.9
116.98573	1.9
117.07027	1.8
119.04914	1.5
119.08595	6.4
121.06502	4.3
121.10148	1.5
123.08090	10.3
123.11703	2.9
129.05333	1.8
131.04909	2.9
131.08569	4.5
133.06462	4.4
133.10138	56.7
135.11699	2.4
143.08556	2.0
145.10164	6.2
146.07240	2.5
147.04434	2.1
151.07523	4.5
151.11188	5.4
161.09630	42.7
163.11177	31.0
179.10684	58.3
186.01025	1.4
189.09114	5.7
190.13266	1.7
194.47964	1.3
195.61848	1.2
207.10130	2.5
214.93718	1.3
222.56587	1.4
297.25375	1.9
311.10568	1.3
320.10910	3.1
324.09427	1.9
327.26303	1.9
333.10025	2.7
336.66748	1.3
339.26392	4.2
381.27896	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.44104	1.5
55.01871	4.2
55.05510	4.7
56.96555	2.5
57.03427	3.5
58.18996	1.4
60.04549	1.5
60.77122	1.6
61.02919	1.9
67.05516	12.0
69.03439	9.0
69.07066	3.0
69.37100	8.5
69.37505	2.7
70.06595	5.0
71.05004	17.1
72.08136	2.2
73.02924	1.7
75.78377	1.6
79.05498	8.6
81.03422	6.2
81.07061	17.7
83.04983	6.0
83.08640	2.1
85.02914	5.7
85.06536	2.0
86.09698	3.3
87.04491	1.6
91.05489	18.2
93.07060	15.3
95.04977	6.4
95.08606	8.2
97.02888	6.9
97.06531	3.6
98.97591	2.3
99.04464	48.3
103.05489	1.9
105.07034	75.4
107.04941	4.5
107.08585	14.1
109.02867	2.9
109.06520	6.9
109.10158	7.5
110.58905	1.5
111.04428	4.8
111.08085	6.0
113.06030	1.5
116.98634	1.6
117.07017	3.9
119.04898	3.2
119.08595	10.7
121.06495	8.5
121.10139	2.4
123.08067	6.0
123.11713	4.4
125.06002	1.8
125.09647	1.9
128.06212	5.3
129.05495	2.6
129.06992	1.8
131.08562	4.0
133.06508	10.3
133.10143	67.2
133.34149	1.5
135.08069	2.5
135.11696	4.5
137.06021	5.6
137.09644	2.4
143.08560	8.3
145.10121	7.8
146.07298	4.6
147.04417	2.3
147.11668	1.8
149.09650	1.8
151.07542	4.5
151.11220	3.5
159.11873	1.5
161.09628	100.0
163.03979	2.0
163.11206	24.6
171.08078	3.2
174.06781	3.1
179.10681	41.2
179.12207	3.1
189.09108	25.9
193.12318	2.3
207.10175	14.9
219.17546	3.8
225.11211	21.7
327.26669	2.3
335.14938	3.7
363.14041	7.0
381.15524	9.0
381.23511	2.5
399.20474	3.2
399.24902	3.2
400.74451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01382	0.6
52.43240	0.5
55.05520	0.8
56.05021	0.5
56.96563	1.8
65.47840	0.6
69.03426	1.9
70.06585	1.9
71.08630	1.2
71.56062	0.8
76.19376	0.6
81.03406	0.6
84.08144	1.6
84.96034	0.7
85.02899	2.4
86.09724	0.7
97.02895	4.3
98.97614	4.0
102.05522	1.3
110.97646	1.0
111.18795	0.5
116.07009	0.5
116.98642	1.7
117.07390	0.8
119.01792	0.9
119.04974	0.8
120.08089	0.8
127.03901	1.0
128.98579	0.9
129.05469	0.8
131.00206	0.9
136.06180	5.2
136.07144	0.6
136.07602	0.7
143.00140	1.0
147.03212	1.1
147.04414	2.7
149.01193	0.9
161.01151	0.8
177.00691	1.0
200.85057	0.6
213.00752	0.9
219.01801	1.9
228.05753	5.1
237.02837	0.8
250.09262	3.1
265.26300	0.5
318.08658	0.7
321.08578	0.6
328.99374	0.6
357.04993	0.6
357.43970	0.5
363.22964	0.9
371.13885	0.7
381.23798	2.5
399.12628	100.0
400.12894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28669	0.4
53.80812	0.3
56.96568	6.0
64.53570	0.4
70.12933	0.4
71.55198	0.6
71.95261	1.6
83.94541	0.3
86.19906	0.3
94.92695	0.4
98.97585	70.6
101.00877	0.4
108.50919	0.4
116.98623	38.2
119.01905	0.4
130.93300	0.5
134.98627	0.7
134.99661	11.9
136.00900	0.4
140.00195	0.6
153.00711	1.4
154.93289	0.4
172.94345	4.4
177.00980	0.7
190.59901	0.4
190.95441	3.4
208.96448	0.7
214.95300	2.5
219.01933	0.9
220.02292	0.5
230.98610	0.4
232.96475	6.7
250.97525	3.1
256.96442	15.0
258.99747	3.8
261.00235	0.6
261.03079	2.2
262.99896	0.3
263.02902	0.8
272.94543	0.4
274.97510	100.0
275.97980	1.2
277.00876	3.3
282.99969	3.1
284.00092	0.6
284.99792	1.3
285.99915	0.6
292.98560	46.1
297.99072	2.8
298.97723	0.8
301.01016	3.0
302.01239	0.6
303.00879	1.2
304.00864	0.6
316.00189	1.2
316.98788	1.1
354.21362	0.4
357.03696	1.7
371.13693	0.4
374.98917	0.5
380.96823	0.9
398.97748	3.6
416.98816	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	398.2693
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03963	0.8
55.05504	1.7
57.07068	1.3
59.05005	0.5
65.57250	0.4
67.05515	3.4
68.05025	2.4
69.03440	0.6
69.07059	1.9
69.27813	3.9
70.06595	15.9
71.04990	0.6
79.05505	4.3
80.05010	0.9
81.05789	0.5
81.07058	5.2
82.06577	0.7
83.04983	0.5
83.08598	1.4
84.08112	0.5
85.06548	0.9
91.05486	6.4
93.07047	7.1
94.06589	1.7
95.04976	5.8
95.08627	3.0
96.08141	2.0
98.06080	1.0
98.21515	0.9
98.97590	0.5
100.07616	4.5
103.05487	0.6
105.07042	11.8
106.06562	0.4
107.07390	0.5
107.08596	6.3
108.08118	1.7
109.06515	0.9
109.10159	2.7
114.05519	4.7
114.09184	1.3
116.07091	6.4
117.07035	4.4
118.06593	0.5
119.08586	18.4
120.08117	3.4
121.10167	3.8
122.09671	3.1
123.08090	0.6
123.11739	0.7
128.06238	1.1
128.07089	6.7
129.07008	1.8
130.07814	1.5
131.08586	7.2
132.08127	0.6
133.09027	0.7
133.10138	6.5
134.09636	1.7
135.08076	1.3
135.11736	1.2
136.11208	1.4
140.07072	0.7
140.10716	0.9
141.06946	0.7
142.07793	1.5
143.08580	4.6
144.09332	1.3
145.10132	12.3
146.09616	1.0
147.08061	0.6
147.10667	0.5
147.11697	3.2
148.11223	5.4
149.08060	0.4
150.12816	0.6
151.06284	1.1
153.06992	0.5
154.08711	2.1
155.08588	1.7
156.03566	0.5
156.09338	1.3
157.10132	4.9
158.10875	1.1
159.11711	2.6
160.09747	0.8
160.11270	1.2
161.09651	0.9
161.13280	0.7
162.12802	0.9
163.14857	0.8
164.07121	0.8
166.08655	1.3
167.08580	0.8
168.10229	22.9
169.10092	2.3
171.11684	2.9
173.13260	4.4
174.12822	0.5
175.14775	2.2
178.08662	6.1
179.08452	0.7
181.10162	0.9
183.11731	3.0
185.13274	2.0
187.14821	1.4
192.10188	2.9
194.11836	9.6
195.11871	1.0
197.13266	2.1
199.14822	1.4
206.11794	1.2
207.11725	0.7
209.13269	2.6
214.15910	0.9
223.14886	1.1
230.11775	0.9
232.13345	1.2
234.14867	1.2
239.18063	1.3
244.13451	0.9
246.14769	0.4
258.15057	1.1
260.16486	8.4
265.19553	1.0
283.20615	0.7
288.19702	1.1
306.20737	2.4
352.25220	0.4
380.21179	0.6
380.25830	14.2
398.26920	100.0
399.27567	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	398.2688
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03935	1.2
55.05503	4.2
61.79205	0.8
63.54904	0.8
66.50402	0.8
67.05515	5.0
68.05039	5.0
68.31473	1.0
69.03418	1.1
69.07058	3.0
69.28229	2.3
69.28646	6.8
70.06595	24.4
71.04945	1.0
79.05496	4.6
80.05006	1.5
80.68259	1.0
81.07064	6.9
82.06528	1.0
83.08620	1.4
84.08138	1.2
85.02889	1.4
87.90639	0.9
91.05483	10.0
93.07058	7.3
95.04985	13.6
95.08606	4.0
96.08117	2.4
98.06081	1.0
98.20777	2.0
100.07629	5.6
105.07033	23.1
106.06535	1.2
107.08603	8.1
108.08101	3.4
109.06554	1.1
109.10175	2.5
114.05558	7.1
115.05460	1.8
116.07091	8.6
117.07005	8.2
119.08585	35.3
120.08088	3.3
121.10152	6.1
122.09667	5.3
123.10463	1.2
128.06236	1.6
128.07083	6.2
129.07019	3.7
130.07816	4.5
131.08578	9.9
133.10133	9.6
134.09647	2.7
136.11211	4.0
140.10710	1.2
142.07767	1.9
143.08562	8.2
144.09341	4.2
145.10133	32.8
147.04405	1.2
147.11694	6.7
148.11226	2.8
151.06299	1.9
152.07043	1.2
154.08635	3.1
155.08574	2.2
156.09271	1.1
157.10089	6.0
158.10873	1.3
159.11708	2.4
160.11264	1.5
161.09682	1.9
161.92331	0.9
166.08630	2.9
168.10220	40.8
169.10175	2.0
171.11742	2.2
173.13269	4.2
175.14882	2.1
178.08650	9.8
181.10120	2.2
183.11714	2.8
185.13313	1.4
187.14813	1.8
188.14421	1.0
192.10229	2.6
194.11858	9.0
197.13313	1.1
204.10217	1.1
207.11804	1.0
209.13278	3.4
211.14824	1.5
214.15874	2.0
232.13338	1.3
234.14873	1.1
244.13387	2.3
246.15163	1.2
258.14951	2.8
259.15759	2.0
260.16489	25.4
265.19614	1.6
288.19662	3.2
366.22928	1.4
380.25876	55.9
381.26202	1.5
398.26920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01874	7.6
55.05505	3.9
56.96552	3.9
57.03426	5.0
57.07077	6.9
59.05005	60.0
60.04526	3.4
61.02915	6.1
67.05511	6.6
68.99791	1.4
69.03432	38.4
70.06605	6.6
71.04995	7.5
71.57082	2.5
72.08151	2.4
73.02924	7.2
79.05487	4.5
80.05004	1.5
81.03419	20.8
81.07050	6.2
84.08145	2.7
85.02909	100.0
86.03220	1.4
86.09724	3.2
87.00301	2.7
87.00832	43.2
87.04455	2.6
91.03935	2.2
91.05471	5.8
93.07043	5.9
95.04962	2.5
95.08606	4.9
97.02895	33.9
97.06501	5.0
97.10177	1.7
98.97581	3.6
99.04459	15.5
105.01870	78.2
105.07031	4.6
107.04964	2.3
107.08575	2.2
109.02893	24.6
109.10120	1.7
110.07217	1.7
110.09659	1.8
115.03945	1.4
115.11217	19.2
116.07139	2.0
117.01851	2.3
119.08556	3.4
120.08127	3.4
121.10118	2.4
127.03925	68.6
129.01866	4.5
131.04950	2.3
131.08566	1.4
133.10115	4.1
133.12257	13.2
137.05983	3.1
145.04962	24.8
147.02911	3.0
147.04425	5.5
158.99779	1.5
159.02905	9.3
161.05948	1.4
161.09631	1.8
175.13249	2.8
182.05016	2.7
189.03891	1.5
213.03995	5.4
231.05042	21.6
249.06100	8.9
266.10681	1.9
274.11575	1.7
327.26123	1.4
380.24435	3.7
398.21463	7.1
398.26175	14.7
417.81018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	36.6
59.61780	2.5
60.04522	2.6
61.02933	14.1
67.05507	2.8
69.03429	33.3
69.06724	4.1
69.07073	52.5
69.60096	17.9
70.06588	8.6
71.05006	3.3
72.08153	3.3
73.02921	74.3
81.03419	7.7
84.08128	7.9
85.02909	100.0
86.09686	4.8
87.04466	4.0
91.03956	3.9
91.05472	5.9
93.46268	2.6
95.08634	3.4
97.02293	3.9
97.02896	62.8
99.04436	2.9
103.05479	2.8
105.07062	3.5
109.02869	9.0
109.07628	4.0
110.07179	3.7
111.08073	4.5
113.85076	2.6
115.03946	51.8
119.08583	4.7
127.03923	37.1
129.10255	3.1
131.04907	4.8
131.08647	3.1
132.06583	3.2
133.04967	14.5
145.04971	58.6
147.04419	6.3
148.59435	3.0
153.09108	3.2
163.06041	40.3
163.07436	4.4
170.72449	2.9
187.14362	3.3
201.11211	9.0
213.11261	2.7
223.06105	6.7
241.07092	11.4
259.08112	9.0
277.15607	3.0
295.10242	18.9
327.26431	4.7
398.14264	4.0
398.22736	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92548	1.3
53.03945	1.3
53.44235	1.5
55.01863	3.5
55.05493	2.3
56.05045	1.9
56.96569	2.7
57.03439	35.7
58.80830	1.3
59.04988	1.9
61.02641	1.5
61.02929	16.6
64.03562	1.2
65.03951	2.0
67.05515	2.8
69.03079	2.3
69.03432	38.0
69.07072	20.5
70.06606	9.9
71.01358	2.8
71.04990	2.0
72.08148	2.7
73.02921	84.0
79.05482	3.9
81.03419	6.8
81.07063	5.9
84.04518	1.6
84.08147	15.6
85.02910	100.0
85.06551	2.4
85.08482	3.8
86.09711	5.7
87.04460	5.0
90.99102	1.2
91.03944	4.0
91.05489	14.3
93.07040	6.3
94.06538	1.3
95.04959	1.8
95.08601	5.4
96.08129	1.5
97.02898	59.8
97.06514	2.6
98.09734	1.5
98.21479	2.5
98.97584	4.6
99.04455	5.3
103.04002	1.4
103.05466	3.2
105.07028	3.9
107.08614	1.9
109.02887	9.1
109.10207	1.4
110.07111	3.5
111.04439	1.4
111.08092	7.1
115.03938	47.3
115.07607	2.4
116.98615	1.9
117.06994	1.8
119.04965	10.2
119.08594	4.5
120.08086	3.6
121.06507	1.7
121.10193	1.9
122.09623	1.5
123.08092	2.3
124.07595	4.3
126.09165	2.6
127.03928	31.1
127.07619	1.5
128.98636	1.2
131.04919	9.6
132.06546	2.0
133.04980	16.2
135.04538	1.4
135.08034	2.8
137.09625	4.4
138.05484	1.4
144.06624	2.0
145.04965	52.4
147.04420	30.5
148.04770	3.0
149.09598	2.0
150.07629	6.1
151.07561	2.1
153.09091	3.1
154.08667	2.5
157.05026	1.2
158.99710	1.3
163.06050	31.3
163.07516	5.0
165.09119	2.4
175.06015	1.8
177.09161	1.8
183.10162	5.8
195.10149	6.6
201.11241	8.6
213.11200	10.3
219.01772	2.5
219.12283	2.2
223.06035	4.2
237.02821	2.0
239.05930	2.9
241.07123	5.2
249.13290	3.7
259.08084	8.0
259.14389	2.7
263.05032	2.0
277.15424	4.1
295.10251	7.9
327.26440	5.2
347.69864	1.4
359.59595	1.4
385.45410	1.6
398.22446	2.6
398.27258	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	398.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92184	0.7
53.67925	0.6
56.96565	1.5
57.03435	1.1
59.83678	0.8
60.17465	0.6
61.02923	1.0
67.05507	1.1
68.83269	0.6
69.03421	3.3
69.07079	0.9
69.19335	6.0
69.19740	1.6
70.06602	5.6
71.05001	1.3
72.08142	0.9
73.02937	1.0
74.62099	0.7
81.03435	1.2
81.07050	1.1
84.04512	1.0
84.08138	3.3
85.02917	5.6
86.09699	2.5
87.04522	0.7
91.05480	1.2
92.52543	0.6
93.07022	0.8
97.02893	2.7
98.20721	1.7
98.97594	2.5
110.07166	2.1
116.05016	0.8
119.04938	0.9
119.08600	0.8
127.03912	2.0
129.10251	1.1
132.08124	1.6
136.07562	0.8
144.08058	1.5
145.04953	1.3
147.04427	2.2
154.06531	0.8
159.06827	14.3
160.07596	4.3
167.07117	0.9
170.06064	3.1
172.07593	39.2
177.05493	1.0
180.08817	2.6
188.07082	79.9
193.55464	0.7
200.05244	1.0
200.07071	14.1
201.11264	1.8
203.07495	1.0
213.07713	0.7
218.08142	20.5
219.01945	1.1
236.09196	100.0
237.02887	0.8
237.09448	1.0
348.64551	0.8
398.14545	13.8
398.21719	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	397.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.5
57.07073	9.6
59.50965	2.5
61.09140	2.2
67.05510	19.0
69.07071	20.1
71.08633	14.7
71.16251	2.4
71.16605	4.7
79.05505	12.3
81.07059	42.5
83.08628	8.8
85.10191	6.6
91.05473	12.6
93.07030	14.3
95.08613	41.3
97.10167	10.8
105.07034	21.0
107.08589	17.1
109.10154	29.6
111.11742	3.8
119.08569	20.7
121.10161	12.0
123.11693	10.0
133.10146	17.8
135.11703	28.3
137.13220	4.4
145.10135	5.2
147.11688	45.7
149.13219	12.7
151.14821	4.6
159.11722	5.1
161.13258	35.5
163.14861	4.9
163.22488	2.2
165.16492	2.9
173.90033	3.1
175.14810	12.2
187.14862	4.0
189.16431	7.7
192.74751	2.5
203.17958	5.0
215.17960	7.4
217.19562	4.2
229.19514	5.3
243.21176	4.7
248.37454	2.9
257.22632	3.9
280.57861	2.9
289.28897	2.7
315.30304	4.5
397.23306	4.5
397.38290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.48298	1.3
55.05514	12.1
57.07080	14.1
57.42008	1.4
66.91534	1.2
67.05508	21.6
69.07073	22.5
71.08629	12.6
71.09903	1.9
71.10256	2.0
76.93204	1.3
79.05499	12.2
81.07064	44.7
83.08620	13.5
85.10185	9.2
91.05476	13.9
93.07052	22.2
95.08614	42.9
95.09124	0.8
97.10175	7.7
105.07038	28.5
107.08601	21.2
109.09462	2.2
109.10165	29.0
111.11739	6.2
117.07051	2.8
119.08582	21.2
121.10150	14.7
122.69862	1.4
123.11004	1.4
123.11732	11.4
124.14867	1.9
125.13248	2.4
131.08589	3.5
133.10129	16.6
135.11705	28.5
137.13242	6.2
145.10155	3.0
147.11696	48.6
149.13263	13.7
151.14810	3.1
159.11711	2.8
161.13269	35.8
163.14792	6.7
165.16417	3.7
173.13269	3.9
175.14865	14.8
177.16307	1.8
187.14763	3.0
189.16415	6.2
201.16425	4.8
203.18039	8.8
215.17979	8.3
216.48102	1.4
217.19536	3.9
229.19554	5.5
243.19067	1.3
243.21144	8.1
247.24292	1.8
249.25792	1.5
256.76236	1.4
257.22702	4.5
261.25812	2.4
277.25262	1.3
287.27475	4.2
299.27402	3.0
301.29028	2.9
315.30341	2.0
341.32150	2.0
379.22028	1.4
397.23425	4.5
397.38330	100.0
398.38605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01876	11.7
55.05511	22.2
57.03429	4.8
64.81419	2.8
65.03958	3.6
67.05503	22.2
69.03421	9.1
69.07066	12.5
71.05015	4.2
71.57064	2.2
71.57483	3.3
79.05494	31.4
81.03416	11.2
81.07061	30.4
83.01376	3.3
83.04961	7.0
83.08631	15.0
84.08118	4.2
85.02902	8.1
85.06519	3.9
91.05489	23.6
93.03413	3.7
93.07044	23.1
94.88216	2.4
95.04961	13.2
95.08620	12.9
95.97266	2.6
97.02866	4.0
97.06547	5.7
97.10152	7.7
98.97572	2.8
100.11228	3.9
103.05437	3.5
105.03390	4.7
105.07030	24.1
107.04929	15.8
107.08593	10.9
109.02863	6.2
109.06532	7.7
109.10152	7.3
111.04470	5.3
111.08043	4.1
117.07021	11.4
119.04951	6.8
119.08565	14.2
121.02887	6.1
121.06480	14.0
121.10109	8.0
123.04461	4.2
123.08047	6.4
125.02394	2.9
125.09637	5.0
127.03930	3.9
128.06200	2.9
129.07028	12.2
131.04921	5.8
131.08574	13.4
133.02814	2.9
133.06496	8.1
133.10133	9.3
135.04416	24.3
135.08070	4.9
135.11676	2.7
137.02338	5.7
137.09589	4.1
139.03836	2.9
141.06981	7.1
143.08548	8.0
145.06502	9.4
145.10110	9.7
147.04422	12.2
147.08046	6.9
147.11688	6.9
149.02335	5.6
151.03906	15.2
153.06955	2.9
155.08543	4.4
157.06462	5.0
157.10156	5.8
159.04428	7.0
159.08087	5.0
159.11821	3.8
161.05977	7.2
161.09572	4.1
163.03915	100.0
165.05455	2.7
165.06940	2.8
167.03378	2.7
169.10121	5.2
171.08087	4.1
171.11703	8.2
173.06036	6.8
173.09668	4.7
175.03928	23.1
175.07576	3.4
175.11212	5.8
177.05457	13.4
177.12741	4.0
179.03403	6.3
180.09209	2.7
181.10156	3.4
183.02913	7.7
185.09625	2.6
187.07579	3.2
187.11198	6.8
189.05466	7.5
189.11256	3.8
189.12762	12.4
197.09604	7.7
197.18011	2.6
199.04016	3.5
199.11168	14.5
201.05475	4.1
205.05116	3.5
205.12105	5.2
209.07999	3.1
215.10776	12.1
215.13957	2.6
217.12227	5.7
221.15405	3.3
223.11188	4.5
225.09189	8.3
233.11787	15.8
241.12302	4.3
243.10223	38.6
245.11826	4.7
249.14842	6.8
251.10727	3.5
259.09750	3.8
259.13162	3.7
261.11185	25.1
269.11716	10.1
273.11258	8.6
273.14545	2.5
275.12924	3.5
277.10669	2.8
277.14233	6.9
279.12314	11.0
287.12762	7.9
289.14380	8.8
293.13800	42.4
297.11044	9.2
301.14377	11.3
305.13828	13.1
311.15067	12.7
315.12253	20.6
319.15527	5.4
325.16437	11.2
329.13846	7.0
333.13318	51.2
337.16531	9.6
347.14914	13.3
356.87619	3.0
361.16623	2.6
365.16049	9.4
379.17542	16.6
383.17435	3.1
397.17642	3.9
397.22113	11.1
397.26993	4.9
398.26886	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	397.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53805	1.4
56.96583	7.2
57.38525	1.5
58.98007	1.5
59.22816	1.4
60.04534	1.9
63.84847	1.5
69.03429	3.7
70.01496	7.1
70.06588	2.7
72.93785	1.9
73.02895	3.3
74.63806	1.6
78.18064	1.7
81.90873	1.8
84.08157	4.4
84.96012	2.1
85.02905	5.9
86.08815	1.5
86.09724	1.4
91.05479	4.8
97.02883	2.4
98.97594	9.1
110.07172	5.2
110.97565	3.5
112.07684	1.5
116.98630	3.5
119.04955	8.7
127.03937	2.9
128.98679	2.1
130.08598	2.0
131.00191	2.9
132.95862	3.8
134.99658	1.8
136.06200	100.0
147.04416	22.3
149.01303	5.1
158.99657	2.8
161.01210	1.9
177.00720	3.3
198.96880	3.6
204.05461	2.7
213.03459	3.3
216.97861	2.1
219.01831	4.7
228.05721	2.0
234.99062	2.4
237.02757	3.7
251.12573	2.5
268.10428	28.4
277.00043	10.3
281.13318	3.4
293.05484	3.5
307.04767	1.9
316.05527	4.3
337.07870	1.8
356.03650	2.3
374.04810	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	397.1471
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
53.98978	0.4
57.03442	0.5
59.04980	0.7
69.03432	0.5
69.07049	0.8
69.38605	2.6
70.06573	1.5
73.02921	0.9
84.08144	0.6
85.02889	1.1
85.06554	0.4
94.72102	0.4
97.06527	0.6
98.97596	0.8
102.80028	0.3
115.74045	0.4
129.09187	0.5
161.64812	0.3
167.07068	0.4
185.04253	2.3
189.05206	0.6
215.13881	0.5
219.06288	1.1
234.08620	8.1
235.09401	6.1
235.19658	0.4
306.08414	0.4
366.12943	0.4
397.14709	100.0
398.14926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.5
61.02942	0.5
64.67645	0.3
69.03399	0.4
69.64586	1.2
69.65018	1.2
70.06580	1.0
73.02910	0.3
80.54162	0.4
81.43294	0.3
81.49503	0.4
85.02893	0.6
91.05460	0.5
98.97594	0.9
110.07155	0.6
110.86530	0.4
119.04919	0.6
120.08091	0.5
127.03913	0.4
147.04445	2.7
156.80779	0.4
161.49135	0.5
166.08092	0.3
177.00597	0.5
185.04314	0.5
235.05814	0.9
237.02850	0.4
277.00357	0.4
292.57474	0.4
318.01566	0.4
337.35950	0.4
367.10034	5.3
397.11053	100.0
398.11374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80248	0.3
55.05509	2.1
56.72025	0.3
67.05510	6.1
68.05028	1.9
68.05840	0.5
69.03432	19.0
69.07072	2.1
70.10536	1.7
71.04968	0.4
79.05498	2.6
81.07057	5.1
83.08631	1.0
86.06070	100.0
87.04454	2.4
91.05488	2.7
93.07037	3.3
95.04961	0.9
95.08611	3.5
97.02959	0.4
97.06542	0.7
98.06031	0.4
99.04450	0.5
104.07100	3.6
105.07025	2.0
107.04967	0.5
107.08595	1.9
109.06543	0.8
109.10170	2.5
117.07010	0.5
119.08579	1.8
121.10145	1.5
123.08042	0.4
131.08543	0.9
133.10129	1.5
135.08066	0.6
137.09612	1.5
139.11205	0.8
147.04451	0.8
147.11674	1.2
149.09636	0.7
157.10139	0.6
159.11708	0.6
159.23204	0.4
161.13327	0.4
163.11188	0.6
203.12781	1.2
257.19037	0.6
275.20056	5.0
293.21030	2.6
396.21457	1.1
396.27371	28.8
397.27646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01209	1.5
53.03936	2.9
55.05513	13.0
55.91268	1.4
56.05043	2.1
56.18688	1.3
57.07067	2.1
59.04992	3.4
64.63149	1.4
67.05497	2.6
69.03433	18.0
69.07072	100.0
69.73704	6.4
69.74111	2.3
70.06590	3.2
71.04977	1.5
73.02898	1.6
79.05495	2.9
81.03424	12.8
81.07053	1.4
84.04531	1.7
84.08150	36.4
85.02911	46.6
87.00832	22.8
91.05461	4.9
91.77048	1.6
93.07058	2.0
95.04945	1.4
95.55158	1.4
97.02894	13.9
98.09694	2.1
98.97546	2.1
99.04445	3.7
105.01868	22.2
105.07023	2.2
107.08562	2.4
109.02895	14.4
111.10934	1.8
111.11720	35.1
119.04938	3.5
120.08106	1.5
121.10167	2.6
126.09175	7.2
127.03920	30.8
129.01775	1.9
129.12762	62.9
131.08591	1.9
136.07603	3.0
145.04977	8.9
145.78757	1.5
147.04411	15.0
147.13835	7.9
147.93201	1.5
154.22861	1.6
159.02884	3.7
178.12192	2.5
207.05338	1.4
231.05051	5.0
253.94009	1.8
275.21280	3.9
285.14825	1.4
296.76501	1.4
303.96228	1.3
304.47009	1.3
317.22302	2.1
335.23306	1.9
377.24258	19.1
391.55063	1.6
395.20874	2.3
395.25226	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	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87570	3.9
53.03932	6.7
53.64651	3.4
55.01859	4.1
55.05502	17.1
56.05020	3.8
57.03433	12.4
57.07080	19.0
61.02921	8.5
67.05505	10.0
68.99786	4.5
69.03433	49.4
69.03777	6.4
69.07069	78.4
69.46117	30.0
70.06596	8.2
71.04999	9.4
71.08643	19.7
73.02911	4.7
73.06548	17.1
81.03421	27.9
81.07066	10.0
83.08611	4.6
84.08131	6.8
85.02905	93.6
85.10178	10.3
87.00826	50.0
88.87870	3.7
91.05458	6.9
95.08662	5.6
97.02887	36.3
98.97577	3.9
99.04446	14.9
105.01865	52.4
105.07059	7.0
107.08618	3.9
109.02898	34.3
109.10178	4.2
111.04445	5.6
111.11723	77.8
117.07062	5.0
117.83799	3.8
119.08610	5.5
127.03919	71.4
129.11856	8.3
129.12766	100.0
131.62503	3.9
133.10219	5.1
137.05951	4.7
145.04984	21.0
145.10165	7.7
147.04404	16.6
147.13759	5.4
159.02838	8.6
164.06042	4.1
197.19058	4.2
201.00517	3.8
215.07054	10.3
224.74617	4.3
231.04958	37.4
253.65150	4.0
367.25757	4.3
395.11227	8.2
395.20462	7.7
395.25223	18.0
396.23938	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	395.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
54.11118	1.8
55.01867	3.2
55.05516	12.1
55.22733	1.7
57.03429	3.3
59.05000	2.1
61.02922	2.9
67.05489	2.9
69.03436	19.1
69.07069	100.0
69.33797	3.8
69.34201	11.7
70.06573	5.4
71.04983	2.8
72.08128	1.9
73.02917	2.2
81.03426	13.2
81.07063	2.8
83.04964	2.3
84.08144	68.4
85.02909	39.6
86.09685	4.7
87.00838	21.0
91.05470	6.0
93.07030	3.3
95.04946	2.2
96.08068	2.1
97.02896	17.2
99.04451	3.5
105.01870	24.2
107.08580	1.8
109.02881	15.8
109.10188	2.1
111.11729	33.1
119.04932	5.4
120.08076	3.2
126.09165	15.0
127.03928	23.5
129.01834	1.8
129.12762	58.0
131.04890	2.7
134.60550	2.1
136.07607	2.6
137.05867	2.0
145.04974	8.5
147.04424	19.0
147.13806	6.0
159.02985	3.2
175.07556	2.1
178.12283	3.8
180.89423	1.8
199.07758	2.3
231.04941	3.2
274.41107	1.9
274.63608	1.8
275.21240	4.5
317.22299	4.4
318.60098	1.8
329.74359	2.0
335.23407	5.2
377.19736	3.7
377.24323	34.2
395.25186	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	395.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69487	10.8
56.96560	19.5
69.83813	23.8
69.84216	25.0
85.02900	16.7
91.05490	11.7
93.30936	12.6
98.20778	13.8
98.97577	37.0
101.00879	54.5
101.98757	10.2
113.00917	17.3
115.02445	27.3
119.01930	74.6
127.02440	22.9
128.43150	12.1
131.01886	60.0
133.03505	35.3
143.01889	34.7
145.03465	84.6
147.04405	14.8
155.01917	30.5
157.03435	15.1
159.05019	27.1
161.02962	41.0
163.04489	14.0
169.03484	100.0
171.01398	21.1
171.05009	25.4
173.02969	40.1
185.02936	23.4
187.04526	93.4
189.02443	12.8
197.02948	16.2
199.00887	16.6
199.04507	21.1
201.02724	12.3
203.04062	21.6
213.02254	24.1
221.05052	22.4
231.03493	24.5
239.02405	13.9
239.06128	28.9
242.34818	10.5
247.37723	12.3
263.06238	16.2
266.82968	11.0
275.02472	97.5
275.06128	48.5
287.02615	30.9
289.07718	58.3
291.05731	24.3
293.03671	18.0
303.02005	38.0
333.06818	15.1
359.04614	19.0
395.03381	20.8
395.10452	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01867	3.1
55.05516	9.3
56.96573	2.2
57.03430	3.8
60.49429	0.9
61.02915	2.9
61.74243	0.9
67.05507	9.9
68.91915	0.9
69.03440	10.5
69.06725	1.3
69.07069	17.1
69.27811	9.8
70.06584	5.3
71.05003	6.1
73.02914	1.7
75.96076	1.0
79.05495	6.7
79.16965	1.0
81.03433	7.9
81.07064	27.6
83.04964	2.7
83.08614	7.4
85.02428	1.8
85.02915	26.5
85.06552	3.8
85.40601	0.8
87.00834	5.0
91.03957	0.8
91.05495	9.1
93.07051	12.1
94.96803	0.9
95.04948	1.8
95.08615	33.0
97.02898	8.1
97.06548	7.1
97.10171	3.8
98.97580	3.9
99.04454	2.7
99.08090	4.6
105.01893	5.0
105.07056	11.0
107.08604	7.6
109.02876	4.3
109.06510	3.6
109.10151	3.7
110.77084	1.1
111.08104	5.2
111.11705	3.0
113.09608	1.6
116.07087	1.3
116.98591	1.1
117.07069	1.1
119.03539	1.8
119.08577	16.0
120.05581	1.0
120.08081	1.5
121.06548	1.6
121.10139	6.4
123.08057	3.8
125.09633	1.6
127.03944	9.5
127.07592	1.2
127.11219	1.8
129.12752	1.2
131.00217	1.4
131.08585	2.2
133.10141	10.6
135.06653	1.0
135.11690	9.8
136.06194	42.6
137.04568	1.3
137.09650	1.9
137.13284	8.6
139.07596	0.9
139.11128	1.2
141.09103	1.4
141.12813	1.2
145.05014	7.2
145.10107	1.2
147.04431	1.3
147.11674	1.2
148.11177	4.4
159.02911	2.3
159.11710	1.0
161.09627	1.9
161.13263	46.7
162.07762	100.0
163.11217	1.1
169.03603	1.8
179.14330	58.0
185.15388	1.1
186.46416	1.1
193.12228	1.8
197.15369	27.4
197.17108	1.4
201.12671	1.2
215.16437	6.6
219.13844	1.5
231.05020	1.6
244.22614	0.9
261.65500	1.0
290.20978	0.9
323.14877	3.5
348.20389	1.3
350.23026	1.4
376.19968	1.9
394.20850	20.2
394.25867	8.5
396.05093	1.0
413.42419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05308	1.4
55.05515	14.9
56.05025	2.8
56.96555	1.4
57.03432	3.2
59.04986	2.7
60.04530	48.6
67.05508	5.4
68.05018	4.6
69.03415	4.8
69.07052	1.5
69.69338	5.9
70.06577	2.6
71.05000	17.2
72.04500	4.2
74.06074	1.4
79.05499	15.3
80.05035	7.1
81.03413	3.2
81.07076	8.0
82.06567	3.4
82.34117	1.2
83.04990	5.4
84.04501	4.8
85.02919	2.6
85.06543	3.0
86.06058	3.0
87.04470	2.9
89.38136	1.1
90.05547	3.6
91.05470	9.0
93.05804	1.8
93.07045	7.4
94.06572	7.2
95.04984	3.1
95.08621	4.6
96.04516	5.4
96.08141	2.5
97.06525	6.7
98.06057	3.9
98.97569	2.3
99.04410	1.1
99.08092	3.1
99.91669	1.2
101.06043	5.7
102.05513	1.9
105.07031	4.3
106.06548	3.1
107.04946	1.6
107.08599	4.8
108.08113	1.5
109.06496	1.9
110.06063	8.8
111.08068	2.1
112.07618	2.1
113.05969	1.9
114.05537	3.5
116.07081	1.8
117.07030	3.9
119.08578	3.1
120.08124	3.9
121.10147	3.2
122.06036	4.2
123.08072	2.8
124.07587	2.7
126.05506	1.5
127.07574	2.0
128.98613	1.6
129.07013	1.5
130.05028	1.5
130.06610	1.4
131.08582	3.5
132.05606	1.9
132.06563	23.1
132.08095	2.8
133.10120	2.0
134.09708	2.6
135.08029	1.8
136.07581	3.3
137.05968	2.8
137.09666	2.7
138.09155	2.5
140.07062	3.7
140.71506	1.2
142.08652	4.2
143.08537	1.8
145.10100	2.3
146.09737	2.4
147.04379	2.1
149.09642	1.4
150.09178	1.9
156.10188	1.7
158.08182	6.4
158.09367	1.7
160.11194	2.4
176.10767	2.4
177.12738	2.0
178.12413	1.8
182.11838	2.1
186.11363	1.1
194.11800	1.9
206.11748	4.0
224.12822	7.9
242.13898	16.4
256.17096	1.8
260.14938	39.7
262.17932	1.8
274.18127	2.2
278.16016	10.4
280.18896	1.5
286.18048	2.8
304.19019	4.7
322.20142	8.8
340.21173	23.6
358.22263	89.0
376.23346	58.1
394.24377	100.0
395.25122	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
55.05500	12.3
56.96568	2.8
57.07087	2.8
60.05634	2.9
65.03958	2.6
67.05518	14.0
69.03429	5.4
69.07065	7.6
69.32937	8.1
69.33360	16.3
70.06582	6.5
71.04989	3.0
79.05495	18.9
81.03431	27.9
81.07072	17.6
83.04958	11.8
83.08617	11.6
85.02908	4.6
86.09705	5.4
87.04470	5.5
91.05494	24.8
93.07038	10.4
95.04967	12.1
95.08606	5.5
97.02892	3.7
97.06530	3.7
97.10138	3.5
98.97570	9.5
103.05486	14.1
105.07050	26.5
107.04945	5.0
107.08611	4.4
109.02925	3.5
109.06529	5.4
109.10173	4.9
111.08073	7.9
116.98569	3.1
117.57522	2.7
119.07312	3.4
119.08566	9.2
120.08120	100.0
121.06509	2.6
121.10145	8.2
123.08058	3.5
124.47172	2.7
127.03896	3.4
129.07028	5.1
130.06493	7.5
131.04910	8.1
131.08577	7.0
132.08041	3.6
133.10129	7.4
133.47400	2.9
143.07324	3.1
143.08525	3.1
146.09691	3.5
147.04408	5.5
147.11700	6.7
149.05936	3.3
152.05675	47.4
153.04156	3.7
157.10097	8.6
158.99649	4.6
159.03203	2.7
162.07767	5.4
166.08649	87.2
172.05904	2.8
175.11189	6.7
177.00713	2.7
193.12274	22.9
211.13318	65.9
248.16461	4.8
264.19659	4.2
268.17017	4.0
284.20187	3.7
286.18112	21.8
304.19104	23.9
312.19464	4.0
314.17496	4.2
315.77911	2.6
330.20575	8.4
332.18597	19.1
350.19626	7.6
353.00778	2.7
376.21115	29.7
376.25018	3.8
394.21576	19.4
394.26450	22.1
394.34070	4.3
409.98511	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	394.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
56.05018	4.1
57.29321	1.2
67.05504	2.7
69.07053	2.7
69.54874	6.0
69.55293	2.4
70.06605	7.1
70.17467	1.4
71.04996	1.5
72.08138	7.1
74.06050	2.2
79.05478	4.2
81.07034	5.0
82.06569	5.4
83.04982	1.5
84.04504	2.8
84.08170	2.5
84.95642	1.2
85.02905	2.0
86.09713	10.2
91.05501	7.2
91.10174	1.3
92.05783	1.6
93.07029	4.9
94.06553	3.1
95.08592	4.2
96.08115	3.9
97.06591	1.4
105.07021	2.7
106.06538	3.8
107.07332	17.7
107.08586	4.9
108.08124	17.0
109.06436	1.4
110.09669	3.4
112.22204	1.5
116.07063	1.9
119.08550	1.3
120.08113	11.4
122.09682	3.6
123.11739	1.7
124.07541	1.6
124.11237	7.2
125.00005	3.6
128.00783	2.7
128.10725	2.4
129.10201	1.4
134.09654	22.7
135.10439	97.0
136.11208	6.6
137.05968	5.4
142.12242	1.5
143.38188	1.2
146.01790	1.8
148.11197	2.0
149.11987	2.8
150.12762	8.4
151.13535	2.2
152.14319	13.7
167.09398	6.4
178.15913	72.4
179.10724	1.8
180.17477	44.9
196.16972	79.7
197.11751	5.0
197.17361	2.0
198.18509	13.6
222.18529	20.6
240.19592	56.2
267.30173	1.4
276.13718	2.7
296.12756	1.9
320.16299	1.6
342.07175	1.6
350.17255	71.9
351.17725	1.5
394.19876	100.0
394.50833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.1
56.96565	7.3
57.03441	2.4
60.04527	5.6
65.03941	2.6
67.05527	1.1
68.59258	1.2
69.03429	3.4
69.07094	1.1
70.06575	4.7
71.04988	1.1
71.22801	1.7
71.23175	1.3
72.08157	7.3
73.02905	3.2
74.97594	2.5
79.05495	2.6
80.05032	1.0
81.03424	1.3
81.07030	2.9
83.08608	2.0
84.04491	1.7
84.08134	2.3
84.08955	1.6
85.02918	2.1
86.09710	2.2
86.97614	1.1
91.05488	22.8
93.07043	1.7
94.06571	1.5
95.04924	1.4
95.08601	1.4
97.02883	2.8
98.06118	1.1
98.97588	13.3
102.74649	1.2
110.97580	3.2
111.91059	1.3
115.03925	1.6
116.98632	4.0
119.04957	32.6
120.05301	1.8
120.08117	8.4
128.98621	2.3
129.10240	1.7
132.06560	1.6
133.04977	1.7
143.00162	1.3
147.04422	100.0
148.04825	7.2
158.99675	5.1
161.01244	2.0
170.99693	2.7
173.04814	1.0
177.00710	2.3
197.04898	1.4
198.67490	1.0
201.00682	1.2
215.06032	1.7
216.54141	1.1
219.01753	9.4
219.14845	1.7
237.02888	9.3
241.02208	1.1
249.02579	1.5
317.09033	10.2
335.10120	3.0
340.21402	1.3
358.22128	8.1
376.23422	7.4
394.17691	2.2
394.24283	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34664	2.9
53.03936	9.0
55.05515	17.8
56.25948	2.9
57.07064	7.4
64.39083	2.9
65.03934	3.2
67.05505	28.7
69.03419	3.5
69.07073	17.6
69.29985	9.2
69.30401	18.0
79.05493	36.0
81.07058	60.6
83.04955	4.6
83.08618	5.0
91.05486	59.8
93.06476	5.3
93.07043	73.0
95.04968	47.2
95.08604	45.9
97.06519	8.6
103.05426	5.6
105.07034	100.0
107.08603	37.8
109.06520	12.3
109.10177	30.2
111.08063	3.9
115.05460	5.9
117.07019	22.0
119.08583	81.4
120.09322	3.5
121.06533	19.4
121.10155	43.1
123.08038	6.9
123.11697	10.1
128.06244	9.4
129.07010	5.9
130.07767	10.2
131.08577	38.5
133.10138	48.7
135.08061	6.0
135.11674	23.1
141.06970	9.0
142.07794	18.1
143.08572	30.3
144.09322	9.9
145.10120	65.4
147.07985	4.6
147.11693	20.2
151.83621	3.0
154.07755	4.0
155.08530	11.4
156.09328	11.1
157.10132	48.8
158.10869	8.9
159.08040	4.3
159.11700	33.3
161.09653	16.8
161.13235	5.1
163.11070	4.4
165.07045	4.4
167.08521	5.9
168.09193	5.0
169.10135	18.7
170.10805	4.8
171.11682	23.0
173.13316	19.4
175.11203	9.2
175.14857	15.0
179.08516	7.2
181.10052	7.6
183.11649	15.9
185.09628	3.5
185.13249	9.9
187.14838	11.4
192.09419	3.4
193.10133	5.6
194.11015	4.7
195.11705	9.6
196.12550	7.2
197.13208	16.6
199.14870	4.5
201.12724	3.3
201.16420	4.9
207.11664	4.0
209.13245	12.6
211.14764	8.4
222.14142	4.2
223.14703	6.4
235.14771	6.1
237.16377	4.2
253.15811	6.7
265.19449	4.2
287.14569	3.0
319.20535	3.2
375.27115	5.8
393.27917	10.8
393.34525	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	18.5
57.07075	9.6
67.05511	18.9
69.07066	26.5
71.08634	5.0
79.05499	16.2
81.07066	42.4
83.04984	3.9
83.08636	8.2
91.05479	35.9
93.07050	40.9
95.04984	39.9
95.08615	43.0
97.06557	7.1
98.35020	3.5
105.07040	77.1
107.08602	25.7
109.06509	6.6
109.10178	17.3
111.08078	4.5
115.05512	5.9
117.06998	9.3
119.08598	50.3
121.06529	18.7
121.10161	14.3
123.08072	13.1
123.11752	12.4
127.03910	3.9
129.07030	8.6
131.08501	18.1
133.10147	14.8
135.08052	40.1
135.11679	6.0
142.07764	7.3
143.08615	17.6
145.10147	29.4
147.08054	5.0
147.11690	27.7
148.08917	5.7
149.09586	21.1
155.08572	7.3
156.09367	4.6
157.10143	15.9
159.11714	12.5
161.09596	6.4
161.13287	5.6
163.11179	5.5
165.12889	4.4
168.09375	5.4
169.10139	9.4
171.11787	5.6
172.11552	5.4
173.13300	7.3
175.11211	17.2
183.11707	12.7
187.14886	9.3
191.14345	15.8
193.15941	11.2
195.11787	5.1
199.11079	3.9
201.12753	10.5
201.16550	4.7
203.14307	12.5
205.14040	7.8
205.15892	100.0
211.14821	4.7
217.15955	5.5
218.16696	22.7
229.15863	7.0
271.20636	11.5
313.21643	7.8
347.20145	4.3
376.26077	8.9
393.27811	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55324	0.4
55.00117	0.4
57.07072	2.3
58.07409	0.7
58.18074	0.5
59.81957	0.5
67.05478	0.7
70.05321	1.9
72.08146	1.3
93.07043	1.2
95.04977	1.0
95.08630	0.8
105.07021	1.2
119.08595	0.7
172.68845	0.6
296.15518	0.5
309.20126	0.9
319.21335	0.8
375.24915	2.0
384.49780	0.6
393.26160	100.0
394.26285	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	3.2
57.51812	0.6
58.07401	1.0
60.13126	0.6
67.05495	1.1
69.34716	0.6
69.83593	2.6
72.08160	1.4
74.26128	0.8
79.03974	0.7
80.10663	0.6
81.07032	1.1
91.05494	0.8
93.07028	0.7
119.89426	0.6
121.10139	0.9
145.10104	0.8
170.60411	0.6
171.11761	0.6
211.99374	0.7
309.20096	1.2
375.24884	2.6
393.26178	100.0
394.26523	2.8
419.08575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.7
56.96570	18.6
61.34076	2.0
61.74031	2.5
67.05505	4.6
69.07065	6.4
71.38766	2.1
71.57533	2.2
71.95271	3.4
79.05489	5.8
81.07059	7.1
82.15910	2.2
83.08646	2.3
83.73592	2.1
84.96046	2.3
89.73019	2.0
91.05463	4.4
93.07043	8.2
94.70850	2.0
95.04971	2.1
95.08624	4.2
105.07036	4.4
107.08564	3.5
110.97575	6.9
111.69785	2.2
119.08585	4.1
121.10133	3.1
128.98666	11.1
131.08586	2.6
133.06471	2.7
133.10143	4.4
138.76195	1.9
143.00154	3.0
144.87991	2.4
145.10104	4.0
146.99654	5.7
159.11592	2.6
165.12735	2.3
165.71495	2.3
171.03258	2.7
175.11304	2.5
201.12787	4.5
241.11145	2.3
259.12000	2.5
263.09500	3.8
277.21582	5.6
310.02271	2.6
313.14713	2.5
315.16330	62.7
333.17389	100.0
351.18509	13.1
352.18814	5.1
356.18976	19.5
370.19904	2.8
374.19919	5.1
393.21570	16.1
393.26181	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	393.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26902	1.5
56.96566	20.7
67.05491	2.9
69.07059	4.4
71.57333	2.3
71.95275	3.7
81.07049	5.5
89.67302	1.7
91.05489	3.4
93.07030	5.6
95.04948	2.1
95.08567	2.5
97.96822	2.4
105.00116	2.1
105.07021	2.4
107.08574	2.2
110.97567	7.4
119.08559	1.7
128.86261	1.8
128.98595	8.6
133.10135	2.2
146.99614	4.4
157.10057	1.8
159.11713	2.0
161.01173	2.0
171.03232	3.1
201.12799	2.1
230.90601	1.8
263.09485	4.4
268.67416	1.8
277.21750	2.0
300.21579	1.8
315.16309	54.3
331.15768	2.9
333.17377	100.0
334.17615	2.9
351.18558	14.2
356.19034	16.6
374.20001	4.8
374.90897	1.7
393.26227	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	393.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.6
55.05514	100.0
56.96572	7.8
57.03440	24.0
60.04517	6.9
61.02928	10.5
69.03432	23.3
70.06596	18.3
71.01366	3.7
71.04991	14.2
71.56419	4.0
72.08151	13.5
72.93782	3.8
73.02921	52.4
79.05475	5.4
81.03417	5.1
81.07057	19.6
82.56091	3.3
83.05000	4.7
83.08621	74.5
84.04502	6.2
84.08142	13.9
85.02905	23.9
86.09708	18.1
87.04475	6.4
91.05482	17.9
94.03580	2.7
95.04971	5.0
97.02898	59.2
98.97582	31.7
99.04425	3.3
115.03935	31.4
115.42544	2.7
116.98618	12.6
119.04941	25.5
120.08081	7.2
123.08031	3.7
125.02325	7.6
129.10321	2.8
133.04979	49.2
136.77510	3.0
145.05016	4.6
147.04422	78.6
148.04692	4.8
148.06097	4.2
157.78610	3.1
158.97429	9.0
158.99701	13.2
160.07570	9.5
161.04504	5.7
166.12331	4.4
176.39626	3.0
177.00735	10.3
179.05519	15.9
218.97450	9.8
219.01782	7.3
231.05405	4.0
231.11952	3.3
236.98535	3.4
237.02867	7.9
252.15991	5.1
287.00037	16.4
317.09073	5.1
351.09641	9.9
357.20941	5.6
375.22113	10.9
393.16971	37.9
393.23615	4.7
404.35168	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01862	4.1
55.05514	100.0
55.93491	2.3
56.96558	7.4
57.03431	23.7
59.28550	2.3
59.33081	2.2
60.04507	4.4
61.02911	10.5
69.03422	23.6
69.34297	2.4
69.65592	11.4
70.06592	14.5
71.01355	4.1
71.04992	18.7
72.08148	9.2
73.02919	57.7
75.16447	2.0
79.05483	6.3
81.03400	5.3
81.07059	18.9
83.08619	80.3
84.04488	5.0
84.08138	7.0
85.02909	24.4
86.09696	8.7
91.05479	21.3
93.07019	3.7
97.02893	68.6
97.06581	2.5
98.97586	22.8
101.09637	3.4
110.07123	3.6
110.97574	2.4
112.99155	2.4
115.03924	41.0
116.98602	9.1
119.04964	18.2
119.08550	2.8
120.08123	4.7
125.02377	7.2
127.03921	3.3
129.10190	2.8
133.04973	48.4
136.07611	3.6
143.00154	2.7
145.04932	3.4
147.04408	69.3
148.04723	4.0
158.97420	4.3
158.99655	9.3
159.00854	2.5
160.07553	5.5
177.00708	10.3
179.05510	15.8
189.00697	2.4
218.97400	7.3
219.01816	6.6
225.06976	9.4
231.11990	2.6
236.98552	3.3
237.02759	7.1
270.07986	2.1
271.00668	3.0
272.18756	2.7
276.46622	2.3
286.99918	11.8
317.09109	3.6
347.02286	2.7
357.20987	7.5
375.21964	3.1
393.16888	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	393.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33643	0.4
54.79163	0.5
67.05502	1.3
69.03423	1.0
69.07074	0.6
69.61692	2.6
70.06599	1.1
72.08139	0.7
79.05496	0.8
81.03420	1.2
81.07050	0.9
81.66551	0.5
84.08147	0.8
85.02892	0.8
86.09701	2.7
87.04463	0.5
91.05467	1.2
93.07053	0.8
95.04974	0.6
95.08605	0.8
97.02939	0.7
97.06534	0.6
101.00896	0.8
105.07047	3.3
109.10163	0.6
119.01939	1.1
119.04962	0.6
119.08574	0.7
120.08119	0.8
127.03892	0.7
127.74667	0.4
145.03464	0.6
145.10083	1.0
145.12173	0.5
147.04419	1.1
148.04755	0.8
157.03493	0.9
161.02917	0.6
161.09764	0.5
173.13390	0.5
184.65982	0.5
201.12729	0.6
205.07095	1.0
217.07216	0.6
221.05086	0.6
223.08176	0.8
247.08147	0.9
255.67133	0.5
271.04175	1.2
273.14935	0.7
301.14319	0.6
307.11124	3.7
347.04327	0.9
349.12592	25.7
363.18054	0.9
393.11572	100.0
393.24136	4.9
394.12018	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	392.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01858	5.3
55.05507	3.2
56.05032	3.2
57.92294	1.9
60.04531	49.8
62.78488	1.6
67.05505	13.0
68.05008	2.5
69.03421	6.1
70.57510	4.1
70.57877	2.8
71.04995	10.7
72.04522	4.1
74.81664	1.7
79.05502	19.3
80.05009	7.6
81.03415	6.4
81.07044	5.6
82.06577	3.5
83.04977	3.4
84.04519	2.6
85.02902	2.4
85.06544	1.8
87.04471	11.1
90.05532	3.3
91.05488	12.3
93.07060	8.3
94.06554	7.2
95.04972	5.4
95.08605	5.1
96.04487	5.1
97.06535	18.4
98.06039	5.3
99.07118	1.8
105.07037	3.9
106.06557	11.5
106.32420	1.9
107.04955	3.5
107.08575	6.8
108.08143	4.0
109.06504	3.9
109.10151	4.1
110.06072	12.6
111.08061	2.5
112.07632	2.2
114.05537	3.0
116.07114	2.0
117.07005	4.2
118.06537	3.2
119.08606	5.0
120.08096	4.4
121.06515	3.4
121.10186	3.2
122.06072	12.9
123.08078	7.7
124.07575	2.9
129.06990	3.1
131.08582	2.8
132.06566	30.5
133.06514	2.0
133.22621	1.6
134.05977	2.2
136.07579	11.1
137.09615	7.5
140.07074	10.2
142.08633	3.9
145.10165	3.6
147.11633	1.9
148.07632	2.2
149.09625	2.9
150.09183	3.3
154.08609	4.6
158.08142	23.9
161.09656	5.0
163.11205	6.1
166.08556	2.9
175.11195	7.1
182.08153	2.6
184.09750	2.1
187.11133	2.4
188.09132	4.0
193.12277	8.0
205.12209	2.3
219.13628	2.1
235.09407	1.9
252.15779	2.3
264.15344	2.2
270.16873	1.9
272.16528	7.2
278.17542	2.1
284.16550	5.1
290.17599	6.4
302.17523	12.3
320.18591	16.1
338.15570	3.7
338.19611	57.5
356.20691	100.0
357.21075	2.2
374.21747	89.4
392.22797	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08737	1.7
53.03940	2.2
53.16346	1.7
55.01869	7.0
55.05495	5.0
56.05027	6.0
60.04528	53.8
65.03942	1.6
67.05501	18.4
68.05029	4.3
69.03432	8.2
70.06591	3.6
71.00188	4.0
71.00517	2.0
71.05001	16.2
72.04504	7.2
76.72776	1.7
79.05495	21.1
80.05013	7.8
81.03418	8.5
81.07057	8.7
82.06581	3.5
83.04980	3.9
84.04514	3.1
84.96961	1.6
85.02914	4.2
87.04474	14.5
90.05558	3.6
91.05489	12.7
93.07054	11.3
94.06560	10.0
95.04974	4.8
95.08601	6.2
96.04487	7.6
97.06546	21.0
98.06059	5.1
101.06039	1.5
102.05553	2.0
105.07043	7.3
106.06548	12.5
107.04977	3.0
107.08580	9.5
108.08088	2.0
109.06494	1.9
109.10177	4.0
110.06036	17.2
111.04479	2.1
114.05550	3.0
116.07132	2.6
117.07027	3.1
118.06545	6.1
119.08575	6.7
120.08098	4.8
121.10126	3.2
122.06037	15.7
123.08090	9.2
124.07547	3.8
126.05486	2.9
128.07104	2.7
129.06998	2.7
130.06526	1.7
131.08580	6.2
132.06577	29.7
132.08102	2.9
133.06544	2.5
133.10144	4.0
134.06006	2.4
134.09639	1.9
135.08063	4.2
136.07597	11.9
137.09641	7.6
140.07057	12.0
142.08652	5.6
145.10135	3.4
148.07559	1.8
149.09673	2.4
150.09151	5.0
151.11124	2.2
153.09195	1.9
154.08577	3.9
156.06462	1.9
158.08130	30.2
160.09853	1.8
161.09558	3.2
163.11163	3.5
165.09123	2.4
166.08641	4.7
170.08154	1.8
175.11215	8.3
177.12801	2.4
179.10696	3.4
182.08061	2.2
187.11162	2.1
188.09177	2.4
189.12767	2.2
193.12253	9.1
201.12860	2.0
202.10693	2.4
234.14949	2.5
243.13550	1.8
268.15540	1.8
270.17059	3.6
272.16516	6.0
274.18015	1.8
275.29956	1.8
284.16479	5.5
290.17566	2.7
302.17557	12.3
320.18558	20.8
338.19635	56.6
356.20685	79.0
357.20969	2.3
371.82269	1.7
372.79773	1.6
374.21747	71.2
390.80768	1.7
392.22800	100.0
393.23318	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	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
53.81414	1.6
55.01863	7.1
55.05513	2.5
56.05038	5.0
60.04259	3.4
60.04534	47.2
61.02920	2.9
67.05508	13.3
68.05027	5.2
69.03433	8.6
69.07040	1.9
69.29680	14.3
70.06596	2.7
71.04995	13.3
72.04522	2.8
73.02911	6.7
79.05496	17.9
80.05027	7.9
81.03416	6.9
81.07050	7.4
82.06580	3.6
83.04987	3.5
84.04534	4.4
85.02904	12.3
86.06102	2.1
87.04485	9.2
90.05566	4.3
90.71059	2.0
91.03973	1.7
91.05499	11.3
93.05785	1.8
93.07052	8.5
93.33154	1.8
94.06572	8.5
95.04977	6.2
95.08609	2.8
96.04501	5.0
97.02908	6.3
97.06547	15.6
102.05532	2.0
105.07047	7.9
106.06553	12.5
107.04993	2.1
107.08603	8.0
108.08110	3.4
109.06532	2.8
109.10146	3.3
110.06055	10.2
111.04444	1.7
112.07622	2.3
117.07013	3.6
118.06549	4.3
119.08577	4.3
120.08114	3.5
120.65937	1.6
121.06535	4.6
121.10152	1.7
122.06007	10.6
123.08128	8.6
124.07608	3.8
127.03902	2.5
128.07176	1.9
129.07031	2.4
131.08583	5.1
132.06572	29.4
132.08160	3.0
133.03508	6.7
133.10095	2.4
134.05980	2.2
135.03246	2.2
135.07973	2.3
136.07582	10.2
137.09628	7.4
138.05501	10.8
138.09137	2.9
139.04201	2.0
140.04051	2.3
140.07059	10.0
142.08670	4.9
146.06059	2.0
146.08089	2.9
147.08125	2.0
148.04773	4.5
148.07605	3.5
149.04730	2.7
150.09198	4.0
152.07039	3.8
154.08658	4.5
155.01897	1.9
157.10181	2.0
158.08168	20.8
158.09488	2.7
161.09560	4.1
163.11244	5.2
173.09674	2.0
175.04553	3.3
175.11215	6.6
176.10817	1.9
179.10725	4.0
181.03654	2.2
187.04436	2.5
188.09258	2.2
193.12277	8.1
196.09760	2.0
205.12227	4.4
217.05562	1.8
220.06831	8.6
220.56941	15.8
221.06801	11.1
252.16075	2.1
270.17154	2.0
272.16431	2.6
277.07816	1.9
284.16547	4.9
290.17487	2.5
295.08725	3.0
302.17395	12.1
320.18677	21.5
338.19641	47.4
356.20715	100.0
374.21768	89.0
392.22842	99.5
393.23059	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.3
59.57139	0.6
61.02916	1.1
69.03403	2.1
69.76128	4.0
70.06583	0.7
75.30616	0.8
79.05490	3.0
81.03397	1.1
85.02897	6.6
86.37276	0.7
87.70035	0.7
88.74863	0.6
91.05481	1.8
93.24966	0.7
97.02895	1.4
99.77621	0.7
103.05470	4.0
105.07018	1.5
107.04958	33.5
109.02856	0.9
115.05453	1.5
117.07027	1.4
120.05722	1.1
123.04403	1.5
124.05191	1.1
127.03867	0.6
131.04900	1.1
135.08052	9.9
145.04932	2.4
145.07600	0.8
149.05928	0.7
151.03918	0.8
163.07545	27.9
167.07045	79.5
180.07671	1.1
181.08554	0.8
195.08369	1.0
195.10184	24.9
213.11224	100.0
214.11530	1.5
284.72186	0.8
308.74078	0.7
395.49615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01870	1.4
55.05507	0.7
56.05039	1.6
57.03435	1.7
60.04521	2.3
60.31436	0.5
61.02921	1.4
65.15245	0.5
67.05505	1.0
69.03445	2.9
69.07074	0.7
70.06597	5.6
71.04997	0.8
71.56899	0.6
72.08144	1.5
73.02919	1.1
73.35684	0.5
74.06077	1.2
77.03946	0.7
79.05493	3.5
80.05024	0.9
81.03413	2.3
81.07050	1.5
84.04488	2.3
84.08146	2.3
85.02914	9.5
86.09717	5.5
91.05479	12.8
92.05813	0.7
93.07037	1.4
95.04959	1.3
97.02901	2.3
97.06568	1.8
98.97588	1.9
99.04454	0.7
102.25289	0.5
103.05460	3.4
105.07027	3.5
107.04961	30.6
107.08630	0.9
108.05314	0.6
109.02884	1.2
110.06024	1.0
110.07188	1.0
110.09644	0.9
110.97550	1.1
115.05458	0.7
116.07108	2.0
117.06985	1.1
118.06653	0.6
120.05747	1.0
120.08099	2.3
121.06550	1.0
123.04463	1.1
124.05223	1.9
126.01048	3.2
127.03909	2.1
129.10258	0.6
131.04950	1.4
132.06534	1.3
132.10181	1.2
135.08057	9.2
136.07585	1.1
137.06068	1.1
144.02118	3.9
145.04968	1.4
145.07597	0.8
147.04361	1.2
149.02373	1.6
149.06007	0.7
150.02730	0.6
152.04668	1.2
154.06247	1.1
163.07562	30.3
167.07045	79.0
168.07396	1.2
170.99687	1.1
180.07814	2.3
181.08504	1.0
185.09116	0.7
189.00754	0.9
193.12291	1.2
194.09648	0.7
195.10178	26.8
212.10675	2.4
213.11227	100.0
214.11592	1.4
216.08842	2.2
219.01616	0.8
221.05804	0.8
230.17397	0.8
240.08794	1.2
291.04007	0.8
300.10864	0.6
302.08389	0.8
307.53531	0.6
311.08911	1.8
350.11829	0.7
356.20663	1.8
374.17151	0.7
374.21243	1.4
374.25238	2.0
392.07877	0.8
392.19174	0.9
392.26315	4.3
392.30426	1.3
393.15585	1.0
393.20850	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	391.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37638	1.1
53.03947	6.4
55.01874	10.2
55.05509	14.5
57.03440	5.5
57.07080	14.2
66.02680	1.0
67.05498	4.7
69.07072	32.3
69.86324	5.3
71.08630	12.8
75.32953	1.0
79.05497	1.2
81.03419	11.8
81.07051	7.8
83.04990	2.3
83.08625	24.4
85.10197	5.4
91.05464	1.6
93.07043	4.2
95.05013	1.5
95.08607	6.1
97.10181	14.9
98.98527	1.1
107.08612	2.2
109.02887	34.4
109.10138	5.3
111.11711	7.0
113.05785	0.8
113.13265	1.2
115.03931	8.6
115.89684	1.2
119.08576	1.3
121.06490	2.0
121.10113	1.5
123.04412	1.4
123.08060	1.5
123.11716	2.1
125.13289	2.9
125.38963	1.2
127.03925	100.0
131.08600	1.2
137.05949	1.3
137.09618	1.9
137.13243	1.6
139.14790	1.9
141.05476	6.2
142.17639	1.1
143.08586	1.0
144.75113	1.0
149.02353	11.5
149.09698	1.5
155.07082	1.9
159.11867	1.2
167.03513	1.3
168.06548	1.7
169.08626	6.2
177.09186	1.0
183.10165	18.6
195.10201	6.7
197.11748	8.2
209.11734	3.9
211.13309	7.5
215.14258	1.0
223.13284	3.3
225.14917	4.5
237.14821	4.7
239.16431	7.0
251.16475	3.9
253.17943	7.3
265.17999	5.8
267.19614	3.7
279.19604	3.4
281.21243	3.2
293.21399	2.2
295.22714	2.4
307.22693	1.9
309.24252	4.8
321.24274	4.6
335.25800	3.6
391.32111	40.2
392.32291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05509	0.7
56.05040	3.8
57.01508	0.3
57.07072	0.6
60.04529	3.0
61.02934	0.3
67.05518	1.6
69.03427	0.4
69.07062	0.6
70.06596	2.3
70.64593	0.4
70.64933	0.9
71.08626	0.6
72.08147	1.1
72.96455	0.3
74.06074	0.7
79.05509	2.0
80.05016	0.9
81.03414	0.7
81.07066	1.8
82.06571	1.0
84.08147	51.5
84.96006	0.3
85.02904	0.4
86.06033	0.3
86.09698	0.9
87.05597	0.3
91.05490	1.6
93.07046	1.3
94.06563	0.7
95.04981	0.6
95.08620	0.9
96.08134	1.8
97.06497	0.4
97.08916	1.2
98.09696	4.8
98.97569	0.5
99.05597	0.5
104.73677	0.3
105.07047	0.5
107.08630	1.0
110.09691	3.6
114.09171	0.8
119.04948	1.3
119.08603	0.6
119.47452	0.3
120.06567	0.8
120.08096	0.9
121.02848	0.3
121.10189	0.3
122.09696	1.3
123.08026	0.4
123.10436	0.9
124.11212	1.4
125.09666	0.4
126.09248	0.3
129.10260	0.6
132.06578	0.5
132.08081	0.5
134.09709	0.5
136.07338	0.3
136.11220	1.3
137.05988	0.5
137.09682	0.3
138.12791	0.4
142.12259	1.6
145.10124	0.9
147.04428	2.3
149.02353	4.5
150.12773	0.7
156.13802	0.4
162.12802	0.5
167.03387	0.6
178.16019	0.4
180.13805	0.3
181.12228	0.4
187.08763	0.5
198.14934	0.4
204.17458	0.8
216.11459	0.4
218.18840	0.3
218.75699	0.3
221.20111	0.4
226.98407	0.3
236.20061	2.1
248.20090	1.0
258.17026	3.1
259.21799	0.7
260.20126	1.3
266.21158	2.1
277.22775	0.6
278.21176	2.7
295.23871	0.8
296.22223	2.9
313.25082	1.0
319.23804	0.6
331.10870	0.4
337.24878	1.6
355.25943	15.4
356.26227	0.4
373.27109	3.9
377.69971	0.4
391.28049	100.0
392.23355	0.6
392.28235	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72457	1.9
52.82229	1.8
53.03930	4.8
55.05484	8.4
57.07056	5.7
67.05505	11.4
69.07043	6.0
69.84332	10.2
71.04980	2.0
71.08624	2.1
79.05497	14.7
81.06652	2.0
81.07059	25.7
83.04982	3.1
85.06543	3.1
91.05492	19.7
93.06581	2.1
93.07045	27.3
95.04968	23.5
95.08610	14.6
97.06499	3.0
105.06400	3.0
105.07040	40.0
107.08625	16.1
109.06477	5.8
109.10112	5.1
115.05423	3.1
117.06999	9.1
119.08584	33.1
121.06480	7.3
121.10162	15.2
123.08009	2.4
123.11687	3.3
128.06171	5.4
129.06995	9.9
130.07730	5.2
131.08556	16.7
133.10126	9.4
135.08032	4.5
135.11656	4.1
141.06955	4.2
142.07762	12.1
143.08574	19.3
144.09314	2.9
145.09221	2.3
145.10123	23.2
147.08064	4.1
147.11655	5.6
148.11955	1.9
149.02322	23.5
149.09579	4.5
153.06920	2.3
155.08565	10.0
156.09259	5.4
157.10159	17.6
158.10793	1.7
159.08005	3.3
159.11636	8.8
161.09630	3.2
161.13232	2.2
165.06979	3.0
166.07755	3.7
167.08499	6.4
168.09354	3.1
169.10168	16.2
170.10919	2.0
171.11678	11.3
173.09578	4.6
173.13268	9.7
175.11140	3.7
179.08527	5.0
180.09258	4.4
181.10083	8.1
182.10855	2.7
183.11719	13.3
185.09612	2.8
185.13264	5.1
187.11136	4.1
191.08484	2.4
191.14281	2.5
192.09375	2.8
193.10185	9.7
194.10828	6.8
195.11719	10.0
196.12357	3.9
197.09644	3.6
197.13213	9.1
199.11180	4.3
199.14755	5.5
201.12624	2.9
203.14378	2.2
205.10016	3.5
206.10840	5.3
207.11572	9.9
208.12393	5.2
209.13251	11.6
211.11197	2.8
211.14737	4.9
213.12505	2.5
215.14233	2.7
216.09229	2.2
217.15878	2.4
219.11537	3.5
220.12376	3.4
221.13148	7.4
223.14732	7.8
223.29050	2.1
225.16405	2.5
227.14218	2.6
229.10120	2.2
231.11638	4.5
233.13199	5.9
233.15358	3.2
234.13881	2.8
235.14780	7.8
235.30722	2.0
237.12846	2.7
237.16138	2.5
245.13200	3.0
246.13945	3.2
247.14819	5.9
247.19319	2.1
249.16339	8.1
251.17854	2.8
257.13147	2.4
259.14597	2.8
260.15668	2.2
261.16354	2.3
262.16840	2.0
263.14270	2.2
263.17755	3.5
265.19641	2.6
267.17380	2.6
273.16409	2.9
281.18851	3.1
282.19705	6.7
283.20370	2.0
289.19260	2.7
291.20581	2.0
293.18658	2.1
295.20578	1.9
297.18448	2.9
307.20358	2.4
308.21237	2.5
317.18707	3.2
329.32224	3.2
331.13144	2.4
335.19843	3.4
373.25229	12.8
391.24918	100.0
391.35889	7.6
392.24991	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50796	0.4
56.96557	2.1
67.05505	0.8
67.08717	0.4
69.82027	0.5
69.89703	2.1
81.07050	0.8
91.05496	0.9
93.07030	0.8
102.13049	0.4
110.97636	0.7
137.31148	0.5
138.19829	0.5
149.02365	3.8
157.10094	0.5
167.03461	0.6
199.06348	0.8
229.07385	0.7
230.07761	0.5
255.09186	0.7
267.09052	1.1
269.10648	0.7
273.10114	0.5
285.09906	0.7
317.19919	0.5
321.16666	1.2
332.16043	0.8
333.17606	0.8
335.82379	0.5
350.17319	2.9
351.18271	1.2
367.17862	1.3
368.18222	5.9
369.19458	1.5
386.19415	0.6
391.24554	100.0
392.24918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.7
59.17747	0.4
67.05479	0.5
69.38183	0.4
69.71912	1.9
74.95909	0.3
94.00574	0.3
94.26707	0.4
97.96812	0.6
103.52391	0.4
110.97572	0.6
126.08021	0.3
149.02359	1.6
151.47728	0.4
224.10399	0.5
241.11067	1.0
242.11533	2.1
259.12137	0.8
260.12646	0.7
298.10587	0.5
317.20050	0.6
321.16800	0.9
332.16293	1.0
349.16904	0.7
350.17175	5.9
367.17810	0.8
368.18295	6.2
391.24548	100.0
392.24844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42692	0.3
55.05503	0.4
56.87445	0.2
56.96560	0.3
57.07064	0.7
58.96107	0.3
67.05518	0.7
67.95674	0.2
70.91652	0.3
71.08651	0.6
71.42818	0.3
71.43142	0.4
79.05477	0.6
81.07043	0.5
91.05509	0.3
93.07066	0.7
94.71504	0.3
95.05016	0.3
95.08608	0.5
105.07047	0.7
107.08630	0.4
109.10157	0.4
121.10173	0.5
133.10158	0.4
138.06314	0.3
149.02351	5.2
157.10095	0.3
167.03395	0.6
243.24892	0.3
267.08975	0.4
269.13562	0.3
329.32352	0.4
349.16986	0.3
357.83029	0.3
391.24551	100.0
392.24823	2.2
406.62775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
55.05507	2.5
56.96565	3.7
57.07060	1.5
67.05505	5.7
68.05843	1.5
69.07071	2.9
71.08629	2.8
71.57119	1.2
79.05487	4.7
81.07047	5.2
83.04956	1.1
83.08613	1.4
85.02884	1.6
91.05477	3.3
93.07041	4.3
95.04974	2.1
95.08603	3.4
97.06528	2.4
105.07042	2.4
107.08599	3.8
109.06495	1.9
109.10159	3.1
117.07008	1.3
119.08571	4.3
120.98048	1.0
121.10160	1.9
131.08574	1.8
133.10097	2.3
137.05992	1.4
140.15817	1.4
145.10146	2.6
147.04431	1.4
147.84836	1.1
149.02341	21.1
153.15918	1.2
157.10141	2.3
157.43681	1.1
159.11630	1.8
161.09605	1.1
163.11169	1.1
167.03465	1.9
167.80820	1.2
173.11739	1.6
183.11790	1.4
187.11386	1.1
188.82680	1.2
285.10175	1.3
333.17352	1.5
344.03745	1.1
349.17297	1.6
350.17328	1.5
351.18622	2.3
369.19592	2.7
391.24588	100.0
392.24728	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	391.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
55.05496	0.7
56.05027	0.7
56.96551	1.5
57.03420	1.3
57.07054	0.7
60.04511	1.9
61.02908	1.2
61.51247	0.5
65.03925	0.7
67.05491	0.7
69.03436	2.7
69.07068	0.6
69.45128	2.7
69.56125	0.4
70.06592	4.4
70.81925	0.4
71.04979	0.8
71.08627	0.7
72.08146	1.6
73.02921	2.8
74.06083	0.7
79.05493	1.0
81.03418	1.2
81.07056	1.1
84.04513	1.1
84.08125	1.3
84.96040	0.5
85.02914	5.0
86.03204	0.5
86.09710	3.6
89.03899	0.5
90.05559	0.5
91.03944	0.7
91.05482	1.3
93.07044	0.8
94.06548	0.5
95.04955	0.4
95.08622	0.5
97.02902	2.8
97.06522	0.9
98.97595	4.4
99.04440	0.6
103.05419	0.6
105.07040	2.5
106.07355	0.9
107.04946	1.2
109.02890	0.5
110.07172	1.5
110.97563	1.4
116.07098	0.8
116.98607	1.9
117.03373	2.1
119.01871	0.7
120.08094	1.4
121.02870	0.7
121.06528	0.8
124.99088	0.5
125.09636	0.6
127.03906	2.0
128.98621	1.1
129.10234	0.8
130.06561	0.5
132.08037	0.4
133.06512	1.6
134.06828	1.7
136.07591	1.1
137.05971	2.4
143.00204	0.9
143.10649	0.6
145.02805	4.4
146.99648	0.5
147.04433	1.0
149.02336	6.8
149.05974	1.6
155.01936	0.7
156.07718	0.7
157.03455	0.6
158.99649	0.9
161.01161	0.6
161.05974	3.1
162.06349	2.8
163.07527	1.0
167.03432	0.5
167.07083	2.2
170.99741	0.7
177.00745	1.0
177.05475	5.5
185.02925	0.7
187.10886	0.6
193.08595	1.8
194.08946	2.3
195.10132	1.0
199.03662	1.4
212.09863	0.6
213.07062	0.5
213.11130	2.6
215.05315	1.8
219.01794	2.2
237.02928	2.2
244.09569	0.9
259.11609	0.7
275.07767	0.5
287.08109	0.5
293.09140	2.4
304.98376	0.5
310.11844	1.6
319.20972	0.5
324.11508	1.1
337.21729	0.5
355.23279	2.3
359.61554	0.5
373.08829	0.8
373.24197	4.4
391.10428	5.9
391.15723	100.0
391.25104	5.4
392.16058	1.8
407.12244	2.4
408.12494	0.5
413.11218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1575
Annotation	Chidamide
Peak:m/z	Relative Intensity
54.99268	0.4
58.48272	0.4
60.04522	0.5
69.03418	0.8
70.00731	1.0
70.01118	0.8
70.06586	1.3
71.08620	0.4
72.08166	0.7
80.96883	0.4
83.06089	0.7
84.04521	0.9
84.08128	0.9
85.02928	1.1
86.09707	2.0
97.02895	0.4
98.97587	0.9
112.03330	0.5
117.03351	0.7
120.08112	0.7
127.03868	0.6
129.06612	0.6
132.08173	0.4
137.06042	0.6
143.10667	0.6
145.02841	1.2
147.04445	0.6
149.02364	3.9
150.05820	0.9
177.05417	2.2
186.24820	0.5
193.01472	0.4
196.14429	0.7
199.03696	0.8
214.15419	0.5
215.05290	0.7
238.08228	0.5
259.11572	1.1
319.12686	0.5
331.12469	0.5
373.09119	0.6
373.19504	0.5
391.15735	100.0
392.16028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
55.30861	0.4
57.07079	5.7
58.06602	2.2
59.90557	0.4
67.05493	1.7
69.07053	1.3
70.06591	18.3
70.69133	0.4
71.08638	2.2
71.56915	0.4
71.57289	0.5
72.08137	1.9
79.05495	1.0
81.07060	1.1
83.08658	0.5
84.08142	2.1
85.10188	0.9
86.09711	2.9
88.07635	7.0
89.06010	0.8
91.05489	0.5
93.07050	0.8
97.06522	0.7
97.10133	0.5
102.09178	2.6
105.07015	0.8
109.10159	0.6
114.09144	0.6
120.95769	0.4
121.10113	0.7
132.10204	8.9
137.05959	1.5
143.20988	0.4
146.11760	8.6
146.12915	0.4
151.11501	0.4
171.36615	0.5
173.11801	0.8
187.05978	0.5
191.44295	0.4
240.26883	1.9
266.28403	0.8
284.29486	13.0
311.18808	0.4
328.32104	38.1
329.32141	0.7
329.63931	0.4
370.30939	0.5
372.34454	0.9
390.23886	1.9
390.35779	100.0
391.36060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
54.30277	0.9
55.01868	2.9
55.05519	5.3
55.65857	0.8
56.05031	3.2
57.03428	1.9
57.07068	0.8
60.04532	30.6
67.05513	9.8
68.05048	4.3
69.03419	2.9
69.07064	10.5
70.06598	4.7
71.04999	1.8
72.04516	4.6
72.08157	0.8
72.68289	0.7
73.02911	0.9
74.06074	1.0
78.16296	0.7
79.05508	6.3
80.05029	14.4
81.03425	2.1
81.07065	9.4
82.06595	4.2
83.04986	2.2
83.08617	1.7
84.04513	2.5
84.08150	1.8
85.02925	2.1
85.06548	2.9
86.06100	4.0
86.06541	0.8
86.09717	2.0
87.04453	0.9
90.05563	4.7
91.05487	4.3
92.05020	1.3
93.07058	7.4
94.06570	5.9
94.93468	0.7
95.04993	1.4
95.08589	6.4
96.04507	3.8
96.08131	1.7
97.06541	2.3
98.06053	3.8
98.20692	1.4
98.97645	1.0
100.07632	1.3
100.11245	0.8
102.05554	1.2
105.07037	3.9
106.06567	3.5
107.08595	3.5
108.08125	1.5
109.10175	2.6
110.06033	4.5
111.08065	1.8
111.83116	0.7
112.16019	0.9
114.05531	2.3
117.07054	1.6
119.08571	2.7
120.08117	3.3
121.10196	2.4
122.06048	1.4
122.09695	0.9
124.07582	1.6
125.09689	1.1
131.08565	1.4
132.06583	23.9
132.08075	1.3
133.10144	1.7
134.09657	1.3
135.11697	1.4
136.07533	0.9
137.05995	1.2
138.09171	1.0
143.66747	0.8
145.10112	1.1
147.03242	0.8
147.04408	2.6
147.11665	1.2
149.02287	1.3
151.11258	1.0
158.99628	0.8
175.26854	0.9
188.07034	0.9
190.15959	1.3
206.15433	1.6
218.15446	2.3
220.16934	1.5
224.20131	1.2
232.16931	1.5
237.18549	1.1
238.21574	1.3
239.20105	1.6
248.16444	0.9
248.20090	1.4
252.23254	3.1
260.20139	2.6
262.18146	0.9
262.21664	1.8
266.24771	1.7
269.63672	0.9
272.20148	1.9
272.23419	0.7
276.23267	2.7
278.21207	0.9
278.24850	1.4
280.22781	1.8
281.20279	0.8
288.23279	7.2
290.21188	3.7
290.24643	1.9
294.24362	6.8
298.23941	1.1
300.23233	2.3
306.20871	1.1
306.24265	7.0
308.22336	1.5
308.25873	1.7
312.21844	2.0
312.25378	4.5
314.77026	0.9
318.20804	1.6
318.24274	10.7
326.23492	1.2
336.21674	2.5
336.25336	4.8
344.24255	1.1
354.22647	5.2
354.26483	4.8
371.16266	0.9
372.23706	13.0
372.27576	13.8
390.24640	40.2
390.28561	100.0
391.19907	0.8
391.24661	1.8
391.28915	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	390.264
Annotation	Daphnigraciline
Peak:m/z	Relative Intensity
52.45072	0.3
55.05494	0.8
56.96566	0.7
57.03435	0.4
61.02931	0.5
67.05505	1.3
69.03430	0.6
69.07055	0.6
69.28821	3.7
79.05485	1.1
81.03420	0.7
81.07046	0.7
83.04954	0.4
85.02924	0.8
85.55433	0.4
87.04473	14.7
91.05499	0.9
93.07045	0.6
95.04980	0.4
95.08590	0.6
97.02887	0.8
98.21456	0.7
98.97583	0.9
101.78960	0.4
102.26538	0.4
105.07043	0.7
106.06570	3.5
107.04900	0.4
107.07349	0.5
107.08617	0.5
109.10157	1.4
109.47255	0.4
110.97570	0.4
117.05743	0.7
118.06544	5.4
130.06573	0.5
131.00179	0.7
131.07320	3.8
132.08109	2.9
134.09634	0.8
137.05974	1.2
137.09630	0.6
144.08107	0.4
146.09657	4.6
147.03084	0.6
149.01239	0.6
160.11226	6.4
169.74367	0.4
172.11229	0.9
173.11838	0.5
174.12779	0.8
176.14326	0.4
213.09818	0.5
216.75865	0.3
218.11818	0.5
224.08052	3.3
224.58392	0.6
229.07529	0.5
229.14307	0.6
231.10785	0.5
232.13306	1.5
239.11334	1.7
243.10846	0.5
244.20615	5.3
246.14957	0.6
257.12418	1.1
262.12909	0.4
272.20105	45.5
273.20615	0.5
273.73410	0.4
273.76578	0.4
304.22720	16.4
305.10760	1.7
305.17621	0.6
313.16663	0.6
331.17584	4.8
349.18753	4.0
367.19553	1.7
370.45258	0.4
372.25452	0.5
386.89972	0.4
390.26401	100.0
391.26788	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	390.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.45444	0.7
55.01879	5.0
55.05508	2.6
56.05025	1.9
57.03428	0.7
60.04530	35.6
67.05506	9.9
68.05013	1.6
68.99700	0.7
69.03426	2.1
69.07065	1.6
70.02966	0.8
70.06607	3.9
70.77680	0.8
71.05006	4.9
71.57002	1.3
72.04498	2.3
72.08147	2.0
74.06065	1.1
79.05492	10.2
79.39205	0.7
80.05013	4.3
81.03411	2.5
81.07058	5.7
82.02924	0.8
82.06602	1.3
83.04977	3.0
84.04501	2.4
84.08129	2.7
85.02905	1.4
86.06080	1.4
86.09697	3.8
87.04478	7.6
87.10026	1.0
90.05552	5.5
91.05501	6.3
93.07049	4.4
94.06574	4.3
95.04973	2.9
95.08613	3.2
96.04495	3.9
96.08105	1.1
97.06531	6.7
98.06042	1.0
98.97573	1.5
101.05995	0.8
103.05480	1.3
105.07033	4.5
106.06573	10.1
107.04955	2.8
107.07351	1.3
107.08590	3.5
108.08137	2.9
109.06517	1.7
109.10152	2.5
110.06065	3.2
111.04440	1.0
111.08081	9.7
114.05532	1.0
116.07098	0.9
117.07021	1.6
118.06500	3.7
119.04956	2.6
119.08585	2.9
120.08117	10.8
121.06531	2.2
121.10149	3.0
121.66702	0.7
122.06039	4.7
122.09663	2.2
123.08056	2.2
124.07586	4.6
125.09585	0.8
125.16651	0.8
129.10214	1.2
130.05013	2.0
131.08572	2.8
132.06566	9.6
132.08112	2.6
133.06499	0.9
133.10112	1.9
134.09645	2.6
135.08119	1.6
135.11678	1.3
136.07584	13.7
137.05992	2.9
137.09592	1.6
138.09145	1.2
143.08546	1.5
145.10117	2.1
146.09685	0.8
147.04440	6.2
147.08060	0.9
148.07574	3.0
150.09192	5.4
151.11230	0.8
152.10854	0.7
153.09148	1.3
154.08598	4.0
156.40663	0.7
157.10199	1.0
159.11681	1.2
160.07578	1.3
160.11238	0.9
161.05981	2.0
161.09612	0.8
161.13312	0.8
162.07735	0.7
162.09113	1.3
163.11253	4.3
164.10748	1.3
166.08620	4.0
171.11746	1.7
172.09703	1.6
173.13234	1.6
175.11238	0.9
176.10760	1.5
178.08633	2.4
180.10129	0.9
188.10683	1.1
189.12802	1.5
191.14320	0.9
193.08624	1.5
196.09714	2.6
202.12231	0.8
218.15500	1.1
229.12259	1.6
236.16415	1.2
256.16946	0.9
258.18518	0.7
262.17999	1.8
268.17081	1.8
270.17007	2.4
274.17993	4.7
280.19089	1.5
286.18069	5.4
292.19171	1.3
304.19067	8.2
322.20148	20.2
324.54562	0.7
336.21637	1.3
340.21204	55.3
341.21637	1.5
346.97934	0.7
354.22690	2.7
355.15894	0.8
358.22260	100.0
359.22650	2.3
372.23889	7.0
390.13889	1.6
390.18161	1.8
390.24808	15.3
390.29398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01874	5.7
55.05514	17.1
57.03436	2.3
57.07068	3.9
67.05169	3.1
67.05505	27.4
69.07062	10.3
70.30946	2.0
71.08630	3.4
71.48653	3.0
74.68887	2.9
79.05495	16.6
81.03400	5.6
81.07060	27.8
82.23828	2.0
83.04992	4.6
83.08602	5.9
85.06541	2.7
91.05505	16.6
93.07043	19.9
95.04948	5.0
95.08612	28.2
97.06538	4.6
105.07031	17.6
107.01802	2.5
107.04897	5.4
107.08606	17.4
109.06483	6.2
109.10146	11.5
111.08060	2.7
117.07013	7.7
119.08596	12.9
121.06503	3.7
121.10137	10.3
123.08105	3.1
123.11728	4.0
129.07025	6.1
129.75635	2.2
131.08580	8.8
133.10132	8.5
135.07964	2.9
135.11673	5.4
143.08601	3.3
145.10091	10.7
147.11700	4.9
149.09605	3.3
149.13286	4.7
157.10092	3.4
159.11691	6.9
161.09586	4.5
161.13268	4.4
163.11211	2.5
169.10214	2.5
173.13281	2.6
179.14337	6.1
199.14847	2.7
201.16335	2.7
203.14438	3.1
205.12334	2.3
205.15900	4.7
217.15897	6.7
231.17299	2.4
248.08325	2.5
311.27386	2.6
315.23154	2.7
329.28439	12.6
339.26776	9.5
357.27896	100.0
363.19696	2.9
389.30450	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
55.46307	0.3
56.96555	1.2
63.70324	0.4
67.05503	1.0
78.66507	0.3
79.05485	0.5
81.07052	1.0
91.05457	0.9
93.07042	0.4
95.04952	0.6
95.08601	0.8
105.07026	0.8
107.08550	0.5
109.10170	0.4
113.00075	0.5
119.08574	0.5
131.08585	0.6
137.05960	0.4
183.11623	0.3
309.59116	0.4
328.31970	0.4
330.14563	0.6
348.15570	1.9
349.13028	1.2
349.16922	0.7
366.14496	1.7
389.22980	100.0
390.23361	2.3
390.35733	1.2
408.35541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70550	0.4
55.05512	1.4
56.05034	4.3
60.04531	1.7
67.05500	1.6
69.03421	0.5
69.07074	1.0
70.06598	2.2
70.74222	1.2
72.08154	3.8
73.02913	0.4
79.05496	1.4
81.03413	0.6
81.07066	1.9
82.06583	0.9
83.04954	0.4
84.04519	0.5
84.08148	59.2
85.02906	0.9
85.08519	0.5
86.09706	7.6
89.23183	0.4
91.05486	1.8
93.07040	0.8
94.06564	1.0
95.04971	0.5
95.08607	0.9
96.04502	0.8
96.08138	1.6
97.08926	1.1
98.09695	8.1
98.97578	0.5
102.05556	0.6
106.06549	0.4
107.08631	0.6
108.08134	0.7
109.10179	0.6
110.07126	0.4
110.09694	3.7
114.09174	1.7
119.05022	0.5
119.08604	1.0
120.08113	0.7
121.10138	0.4
122.09638	0.9
123.10452	1.1
124.07644	0.4
124.11237	1.1
126.09158	0.9
130.06535	0.5
134.09685	0.6
136.11208	2.5
140.10635	0.4
142.12283	1.3
143.11816	1.5
143.20161	0.4
147.04419	2.1
148.11192	0.5
150.12761	1.2
153.16321	0.4
154.12331	1.2
157.13438	0.7
160.11148	0.5
160.64980	0.4
171.11340	1.2
172.13344	1.9
176.14351	0.9
178.12260	2.9
178.15938	1.1
185.12848	0.6
196.13333	2.0
198.09149	0.6
204.17514	0.7
214.14349	1.9
216.17462	0.7
219.13472	1.6
222.18533	0.5
234.18527	1.0
251.21185	1.0
256.15546	0.6
257.20120	0.9
258.18646	0.6
273.19611	0.5
275.21213	9.8
284.19733	0.4
293.22238	11.3
294.20670	1.2
299.21124	0.7
311.23340	6.8
312.21841	0.6
317.22232	3.4
329.24374	15.7
330.22598	0.5
335.23334	3.6
353.24362	7.1
371.25421	18.7
372.20087	0.6
378.01767	0.4
389.18094	3.0
389.26471	100.0
390.26877	2.2
407.35895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.96560	1.1
63.44113	0.5
67.05502	1.4
69.07061	0.6
79.05484	1.3
81.07053	0.9
89.23030	0.5
91.05496	1.3
93.07077	1.0
94.40701	0.6
95.08585	1.1
96.92237	0.6
97.10157	0.5
107.08604	0.7
108.98238	0.5
112.99995	0.8
117.06989	0.6
155.05869	0.5
174.10806	0.6
174.46004	0.5
237.46146	0.5
262.25027	0.5
269.10846	0.6
330.14865	0.6
335.41266	0.6
348.15762	2.1
349.13037	1.2
349.16913	1.2
366.14590	2.2
389.22980	100.0
390.23291	2.0
390.35715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Glochidionionoside B
Peak:m/z	Relative Intensity
54.11489	2.8
55.05500	9.2
57.03428	3.7
58.99598	2.9
59.05005	3.6
60.04525	6.8
67.05499	11.9
69.03436	4.7
69.07070	12.2
69.58862	2.8
70.01665	5.7
70.02061	8.4
70.06582	5.0
71.04978	6.9
76.02235	14.0
79.05489	11.8
80.05015	3.6
81.03410	11.3
81.07065	18.6
83.04977	12.3
83.08641	7.4
84.56433	2.8
85.02899	12.3
85.06549	9.0
86.09708	26.4
91.05482	12.8
93.07042	23.2
94.06580	3.4
95.04988	8.6
95.08613	27.5
97.06532	6.3
98.97598	4.1
99.04453	3.6
99.08079	16.3
105.07030	17.3
107.04952	11.8
107.08600	46.1
109.06550	17.1
109.10177	18.5
111.04395	2.6
111.08089	9.8
116.01710	3.6
116.32585	2.8
117.07021	3.7
119.08569	7.6
121.06503	26.8
121.10140	34.2
123.08082	18.7
123.11732	6.2
125.09622	6.6
131.08582	14.4
133.10144	16.2
135.08049	17.6
135.11713	8.3
137.09628	4.2
139.07539	5.3
143.11865	3.3
145.10170	6.3
147.11765	5.7
149.09628	65.5
149.13271	16.3
151.11200	17.5
153.09077	6.5
162.02229	11.8
163.11148	3.9
163.14827	31.9
173.13242	29.8
179.04886	23.0
179.14203	3.0
191.14330	71.0
193.12245	6.6
209.15382	100.0
209.17386	5.9
210.15645	5.2
211.13281	15.2
212.73857	3.1
274.21457	3.4
371.16510	3.9
389.13437	4.6
389.17865	5.7
389.27042	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	389.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01869	9.1
55.05513	11.9
57.03427	6.3
67.05505	28.3
67.26321	2.8
68.99775	3.0
69.03430	55.0
69.07057	8.1
69.38448	18.7
70.06571	5.2
71.04996	18.8
72.08139	3.3
79.05499	22.4
81.03416	60.0
81.07059	100.0
83.04975	12.3
83.08613	4.2
84.04494	2.8
85.02906	31.8
85.06548	11.7
86.09705	2.9
87.00814	11.3
91.05501	15.0
93.07040	17.3
95.04949	8.1
95.08610	12.5
97.02894	10.5
97.06520	11.9
99.04451	16.6
99.08092	59.2
105.07067	12.0
107.04940	10.8
107.08585	13.2
109.02890	27.2
109.06482	4.6
109.10134	6.3
111.04441	13.0
111.08075	7.1
117.07013	7.3
119.08595	6.2
121.06516	4.6
121.10159	13.3
122.03742	2.6
123.08057	6.0
123.11691	16.7
125.09673	2.2
127.03912	61.3
129.07001	4.3
131.04904	2.7
131.08582	6.7
133.10120	5.6
135.08043	5.6
135.11690	8.5
137.06001	2.9
138.17355	2.2
139.11191	2.9
141.12715	10.6
143.08559	3.5
145.06493	2.8
145.10100	10.5
147.04382	3.5
147.11627	2.8
149.09653	5.1
151.07524	15.0
151.11211	5.6
153.12769	5.4
155.08495	2.7
159.13776	4.8
163.11182	17.6
167.07036	2.9
169.12279	4.9
173.09615	5.4
175.11230	2.5
181.12234	8.6
191.10693	12.0
209.11769	9.3
213.04002	4.0
227.12708	6.4
231.05022	11.2
249.14854	9.8
335.14871	11.4
353.15805	8.4
389.06570	3.0
389.12128	4.2
389.17108	3.1
389.27029	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	389.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.0
55.05522	14.2
56.05034	3.3
57.03416	5.4
58.99585	12.7
60.04536	17.5
60.41263	1.8
67.05518	14.5
69.03409	4.3
69.07043	8.9
70.06602	13.7
71.04964	2.8
71.57349	3.0
72.04478	2.3
72.08135	6.6
74.06065	2.1
76.01848	3.8
76.02232	56.2
78.05098	1.9
79.05498	14.6
80.05033	11.1
80.05820	2.0
81.02986	2.3
81.03422	32.9
81.05344	2.2
81.07069	15.7
82.06562	3.3
83.04992	15.4
83.06081	4.0
83.08627	16.6
84.04472	4.8
84.08117	7.0
85.02874	2.3
86.09711	82.3
88.02190	2.5
91.05489	16.6
93.07066	11.0
94.06542	9.9
95.04962	12.5
95.06859	3.2
95.08612	10.4
96.08126	2.9
96.08889	1.9
97.02876	3.5
97.06489	4.9
97.10119	2.3
102.05517	3.1
105.07004	9.1
107.04948	4.5
107.08570	4.6
108.08076	2.9
109.10129	3.5
111.04421	3.0
111.08042	7.9
116.01691	18.8
116.07099	3.5
119.08586	10.8
119.63786	1.8
120.08064	4.9
121.10133	3.7
127.05036	3.3
129.07007	3.5
129.10201	2.9
130.08617	2.6
131.08501	3.0
132.08023	2.2
132.10156	2.8
133.06284	1.9
133.10083	5.0
136.07545	2.1
144.01117	8.2
147.11679	5.7
149.09584	2.9
157.10118	4.1
161.09247	2.3
162.02214	42.3
173.12811	9.1
175.11171	9.1
179.04866	74.2
189.12376	4.5
193.12242	32.3
196.14268	2.6
201.12332	5.9
211.13301	62.4
227.12630	3.6
237.20502	2.3
240.13475	9.5
245.18584	5.0
255.21375	2.5
258.14404	5.0
263.21832	2.1
275.21872	3.1
293.22961	3.3
329.24979	7.8
353.28101	2.8
371.16315	9.5
371.25745	12.8
389.17984	10.7
389.27087	100.0
391.05371	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	388.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31217	1.2
51.35972	1.2
52.83778	1.4
55.01870	1.7
55.05513	13.4
56.05028	3.6
57.07064	3.7
60.04530	12.1
67.05509	55.8
69.07080	21.5
69.86363	5.4
70.06590	2.0
79.05494	18.5
81.07062	72.4
82.06590	1.9
83.08620	11.0
85.06545	3.2
90.01124	3.4
90.70952	1.3
91.05487	11.3
93.07044	24.6
95.04955	1.3
95.08614	55.0
96.08146	2.2
96.10732	1.6
97.10177	3.1
100.11259	15.1
105.07039	9.0
107.08615	19.0
109.10162	23.0
109.85617	2.0
111.11714	2.1
112.11243	2.8
114.12805	5.1
117.07059	2.8
119.08601	5.6
121.10151	13.4
123.08096	1.6
123.11699	10.0
126.12794	7.4
131.08569	4.7
133.10135	4.4
135.11726	10.7
137.09618	4.7
137.13255	6.4
140.14331	3.0
142.12299	3.1
145.10115	3.7
147.11687	6.0
148.08884	14.3
149.09621	3.2
149.13272	6.4
151.14780	2.7
152.14320	4.0
153.05780	1.4
154.12292	5.7
159.11697	4.3
161.13278	2.8
163.11267	2.2
163.14841	3.3
165.12779	2.0
166.16014	1.5
168.13857	2.4
173.13274	4.4
177.12746	1.8
177.16408	2.2
179.14381	1.8
180.13832	1.6
182.15450	1.4
186.14882	1.8
188.12013	1.8
195.13835	1.8
202.09914	6.9
209.15451	2.1
234.12552	2.1
243.21101	10.1
250.25345	5.1
260.23663	1.7
261.22076	16.2
265.90762	1.3
278.24805	37.0
279.23163	25.8
286.23032	2.7
293.24640	2.0
296.21213	2.4
297.19635	2.4
310.27438	30.0
314.22464	20.9
320.25876	31.4
330.15887	1.6
331.88547	1.5
346.25198	12.5
352.28491	27.3
356.23529	100.0
357.23721	1.9
388.26138	38.7
388.34973	1.7
412.42862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1444
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
52.11387	1.2
55.01866	3.5
56.05020	1.4
60.04519	3.1
61.02935	1.4
61.93535	1.3
65.03938	2.3
65.83912	1.2
67.05496	2.7
69.03422	3.4
69.07082	1.3
69.20676	12.1
70.06590	2.6
71.04979	2.2
72.08156	3.0
73.02555	2.0
73.02921	24.1
74.06078	2.5
77.81274	1.2
79.05488	1.5
81.03408	2.8
83.04964	1.8
84.04492	1.7
84.08143	4.7
85.02911	10.7
86.06107	1.5
86.09713	25.6
91.05484	13.1
93.07043	1.4
95.04972	3.8
95.08607	2.1
97.02892	3.8
97.06522	2.2
98.21510	2.7
98.97588	2.9
99.04482	1.2
111.93486	1.4
120.08047	2.1
123.04424	4.8
129.10255	1.2
140.04684	33.5
142.02602	1.3
143.11826	2.2
147.04501	2.6
150.57050	1.3
153.05498	1.2
155.07036	48.7
160.70360	1.2
171.06587	2.3
171.11363	2.2
173.08102	2.1
179.07077	1.8
179.11691	1.7
181.04974	58.5
181.08524	2.4
197.12868	10.4
209.08092	13.8
215.13914	2.0
219.13441	1.8
222.08330	1.4
223.05417	1.8
227.09158	100.0
345.14999	1.6
353.21457	4.9
357.13113	1.3
371.18069	2.7
371.22562	10.0
389.17831	27.8
389.23608	9.4
389.28601	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14445	1.3
53.03937	2.5
55.01868	4.2
55.05514	12.1
55.88843	1.4
56.05036	3.2
56.05841	5.5
57.03443	3.3
58.44743	1.5
60.04528	18.4
60.29565	1.2
61.02925	2.8
67.05503	14.3
68.05051	2.9
69.03434	15.7
69.07071	3.4
69.54158	3.3
69.54574	7.3
70.02967	1.6
70.06595	3.5
71.04990	12.2
72.04522	10.0
72.08166	3.1
73.02929	3.8
74.06084	20.4
79.05495	13.0
80.05023	3.2
81.03420	7.3
81.07068	10.8
82.03793	1.9
82.06583	3.1
83.04986	15.1
84.04520	5.3
84.05323	4.2
84.08139	12.7
85.02910	19.8
85.08455	3.3
86.03246	1.8
86.06081	5.1
86.09707	4.8
87.04481	12.8
90.05573	1.7
91.05478	12.6
93.07051	11.2
94.06585	5.5
95.04998	11.6
95.08628	6.5
96.04494	2.9
96.05313	4.5
96.08134	2.0
97.02892	7.5
97.06538	8.8
98.06081	3.7
98.97626	2.1
99.04443	10.5
100.04816	2.5
102.05567	4.1
105.07044	6.8
106.06583	8.9
106.07278	2.1
107.04962	2.5
107.08600	12.6
108.08158	2.7
108.08921	3.4
109.06519	3.7
109.10185	6.8
110.06071	5.6
111.04451	2.4
111.08108	4.2
114.05511	2.2
116.07097	4.0
117.07024	3.0
118.06554	4.5
119.08602	7.6
120.08129	8.0
120.08919	3.8
121.06523	2.4
121.10174	6.1
121.24983	1.4
122.06066	7.9
123.08074	4.8
124.07639	3.9
125.09616	1.7
127.03940	2.3
128.07120	3.4
130.05023	1.5
131.08577	4.8
132.06548	8.0
133.10175	3.7
134.09679	1.7
135.08086	4.6
135.11763	3.1
136.07578	10.7
137.09673	3.0
138.09138	2.4
140.04710	2.7
141.89429	1.6
143.08571	2.4
144.06590	10.4
145.04974	1.8
145.10161	2.5
146.08148	24.2
146.10542	3.3
147.11684	10.1
148.07594	3.7
148.12090	4.8
149.09563	7.1
150.10028	5.0
153.09148	5.8
155.07068	2.6
157.09828	2.5
159.11690	2.9
160.12079	2.3
161.13385	2.1
162.13658	5.6
163.11198	5.9
164.11554	2.8
165.12769	2.7
166.08699	2.5
171.11725	4.3
172.12039	8.7
178.08676	3.0
189.12814	5.4
190.13139	11.7
193.12299	1.7
196.09775	2.6
207.13799	2.9
208.09787	2.7
208.14183	6.4
225.14810	9.7
226.15201	15.9
227.09201	4.0
268.17111	1.5
274.18088	3.1
280.30188	1.5
282.17154	2.6
286.18027	4.0
304.19135	6.9
316.19226	2.9
322.20221	2.5
334.20050	8.0
340.21298	3.2
352.21228	59.5
358.22412	3.3
370.22287	100.0
371.22818	3.7
388.23407	87.7
388.28683	14.6
389.18176	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	388.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	92.8
56.97618	1.6
70.59748	3.3
70.60078	2.3
70.98126	33.7
71.95256	12.6
74.97604	2.3
84.96015	2.7
88.99161	7.5
97.99158	2.0
98.97593	4.2
105.00190	3.2
110.97596	2.3
116.98601	2.7
123.01171	4.0
127.00689	4.5
127.34764	1.5
134.99675	1.8
139.00673	2.2
141.02283	4.7
145.01756	3.0
147.01181	3.0
151.00647	7.3
152.01453	3.6
153.02202	5.8
155.03874	3.0
157.01701	1.9
159.03302	3.4
165.02237	4.5
167.03809	2.3
168.00963	4.5
169.01738	9.4
169.05415	2.3
170.02531	9.4
171.03278	6.3
173.04843	3.9
179.03799	3.2
181.05388	2.1
183.03279	3.8
184.04114	9.7
185.04843	5.0
186.01964	9.1
187.02821	4.9
187.06439	3.7
194.04907	1.9
197.04919	5.7
199.06389	5.1
205.07634	2.0
209.08463	1.9
211.06566	2.3
222.08145	1.9
227.09589	3.0
235.10095	3.5
245.08327	2.1
247.10216	3.3
250.08765	4.3
253.11198	2.8
254.08368	2.2
254.11525	1.6
263.09549	6.0
265.11093	6.6
268.09808	14.8
277.11087	3.7
278.08279	3.5
281.10684	6.4
283.12247	2.5
286.11057	4.4
291.11417	3.2
295.12250	13.3
296.09216	6.6
297.13608	12.2
310.07379	3.4
310.10889	68.4
313.13474	3.2
315.16275	17.6
317.17911	6.8
328.11990	11.0
331.15726	2.5
333.17398	27.7
336.14850	2.3
347.18918	74.8
351.13635	9.7
351.18338	4.4
356.18921	5.6
361.17261	1.8
363.18375	4.6
365.19989	100.0
366.20316	2.5
388.21634	14.8
389.19919	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	388.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05515	3.0
56.96568	35.5
67.05505	4.6
68.05827	1.0
69.07067	2.2
71.57030	1.3
71.95265	3.8
72.85169	0.9
72.96049	1.1
74.97598	1.4
79.05488	5.3
80.05819	1.0
81.03429	1.6
81.07048	3.3
82.07378	0.9
83.04980	0.8
83.08604	1.4
84.96032	1.8
91.05487	5.7
92.05807	1.9
93.07052	4.1
94.07368	1.1
95.04961	1.5
95.08607	3.0
97.06520	2.8
97.10192	1.1
98.97594	1.2
105.00138	0.9
105.07029	3.3
106.07401	1.0
109.06486	0.9
109.10158	1.6
110.97582	3.5
115.00668	1.1
117.07001	1.6
119.08572	2.4
121.10133	0.9
123.01210	1.6
128.06242	0.9
128.98593	2.8
129.06979	1.9
130.07350	2.0
131.00262	1.1
131.08539	2.1
132.08864	1.7
133.10135	1.6
137.02753	2.0
141.02283	1.6
141.96585	1.0
143.00011	1.0
144.08896	1.3
145.10086	1.1
146.10443	1.2
146.99620	2.7
147.03271	1.2
147.11699	1.1
153.02193	1.7
157.01756	1.0
159.03288	2.1
159.04474	1.3
160.04782	1.1
163.03926	2.6
164.04266	1.0
165.02348	1.2
167.03760	1.3
169.01662	1.5
171.03313	1.8
173.02422	1.6
177.05894	1.3
181.05434	1.2
183.03268	1.8
184.00322	1.0
185.04855	2.7
187.04062	1.1
188.04231	1.3
189.04359	1.4
193.05426	0.9
195.03352	1.0
197.04886	0.9
199.06491	2.0
201.05638	1.0
203.03957	0.9
203.05881	2.7
203.12605	0.9
205.01755	1.0
205.05437	1.3
207.06975	1.1
211.06403	1.8
213.05537	1.9
214.05786	1.8
215.07141	0.8
217.07507	2.4
219.06976	1.7
225.08009	6.1
229.07484	3.8
231.06915	1.1
231.09045	1.0
233.63217	0.8
235.06471	1.2
235.10072	1.5
237.07895	6.1
239.09668	1.3
243.09048	3.5
244.68379	1.0
245.08516	1.1
247.08542	2.8
251.09593	2.6
253.11160	8.2
255.09048	3.7
259.09714	2.0
269.10455	1.2
271.12222	2.5
273.11938	0.9
275.09482	1.9
281.10513	1.2
289.11203	1.0
291.12683	2.9
293.10663	1.6
303.16232	1.6
312.13251	1.0
329.14236	27.9
329.18262	1.5
334.22513	1.1
338.14722	2.2
347.15302	100.0
348.15738	1.8
352.23389	1.5
356.15732	3.0
365.16370	64.2
370.17032	7.0
370.24588	4.2
383.17343	1.6
388.17889	14.2
388.25180	11.0
389.18283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.9
55.01859	13.3
55.05507	6.0
56.05038	5.2
56.96564	3.8
57.03424	10.0
58.44739	3.1
59.51569	2.9
60.04526	19.2
61.02913	10.1
67.05492	10.4
68.05019	3.6
68.19917	3.4
69.03431	35.1
69.07053	6.5
69.31139	12.6
69.31567	14.9
69.67809	3.3
70.06584	12.2
71.04980	9.6
72.08127	4.3
73.02912	6.6
79.05473	13.5
81.03423	30.9
81.07065	8.9
84.04505	8.5
84.08147	7.6
85.02905	100.0
86.06045	7.8
86.09698	12.7
87.00835	41.7
91.05483	6.4
93.07030	7.2
94.06577	5.6
95.08617	5.6
97.02888	34.4
97.06521	11.3
98.03247	3.9
98.20775	5.5
98.97585	9.6
99.04446	13.8
103.05450	3.8
105.01872	69.8
105.07030	37.5
107.04958	5.1
107.08576	4.7
109.02889	34.0
109.72401	3.3
116.84743	3.2
119.04972	4.8
119.08561	10.1
120.08088	4.8
121.10159	6.9
123.04440	3.8
127.03930	84.4
129.01839	4.8
131.08572	3.5
132.06551	13.3
133.10129	7.1
136.07605	4.4
137.06038	4.3
145.04944	42.1
147.04344	4.6
159.02917	16.6
161.09567	4.6
167.07094	16.2
186.25789	3.5
189.03833	5.6
213.03960	3.5
213.08975	3.7
231.04950	31.4
248.07843	3.8
249.05977	10.3
264.12915	3.4
308.22321	5.1
344.24191	8.1
352.24780	4.5
370.25845	13.9
388.17114	4.4
388.26898	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01874	7.9
57.03436	5.3
60.04508	1.2
61.02925	4.9
68.99802	2.4
69.03433	31.4
69.26534	4.5
69.26939	1.8
70.06602	1.1
71.05011	4.7
73.02917	6.8
79.05516	0.6
81.03419	23.1
83.01366	1.0
85.02908	100.0
86.03203	0.7
87.00832	42.4
90.50978	0.7
91.03980	1.6
95.08659	0.7
96.88772	0.8
97.02898	30.6
99.04457	14.5
103.04018	1.5
105.01871	73.1
105.07043	13.0
106.02289	0.7
108.04494	3.0
109.02885	30.1
115.03946	1.4
117.01868	2.5
119.08612	0.9
121.63143	0.7
126.05546	2.2
127.03922	72.4
129.01834	2.9
132.06505	1.0
145.04968	38.0
147.02905	2.6
147.08134	0.9
153.01752	0.7
159.02902	14.4
171.02840	0.8
177.03999	0.9
187.26944	0.7
189.03902	4.0
213.03947	3.9
213.09181	2.6
230.06581	1.4
231.05014	27.0
231.09920	0.8
248.07738	2.7
249.06100	12.3
266.08698	1.4
370.26074	1.5
382.65796	0.9
388.16306	3.8
388.22610	0.8
388.27069	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	387.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.9
67.05497	22.9
69.07064	14.9
70.63135	9.7
79.05489	25.0
81.07072	39.5
83.04975	7.2
83.08632	4.9
91.05480	28.5
93.07046	28.4
95.08611	28.3
97.10122	6.6
105.07042	30.5
107.08600	19.9
109.06535	5.7
109.10133	16.5
117.07010	12.1
119.08571	21.9
121.10126	12.6
123.08073	4.8
129.07030	17.5
131.08546	31.2
133.06482	11.7
133.10124	20.5
135.11679	5.9
139.11166	4.5
142.07788	7.5
143.08571	15.2
145.06459	10.1
145.10089	13.9
147.08067	12.1
147.11662	8.3
149.09656	14.0
155.08542	10.3
157.10065	11.1
159.11679	13.5
161.09584	7.0
169.10193	5.6
171.11751	5.7
173.09592	10.0
173.13155	6.4
175.11194	13.0
177.12750	5.5
185.13287	5.9
187.11162	10.3
187.14845	5.1
188.33026	5.6
199.14789	6.3
213.16484	6.6
234.02510	4.5
267.17462	5.0
287.19977	12.6
298.96057	5.2
337.25217	14.1
355.26306	100.0
376.67618	5.1
387.16089	21.9
387.24310	8.5
387.29172	34.4
410.82025	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	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01879	7.8
55.05518	0.9
57.03440	6.9
60.04520	2.8
61.02929	5.9
67.05503	1.4
68.99795	3.1
69.03432	32.4
69.07082	0.8
70.06590	1.6
71.04994	4.3
72.08154	1.1
73.02926	6.2
79.05503	2.1
80.05025	1.1
81.03421	23.0
81.07047	1.5
82.06562	0.8
84.08153	1.4
85.02910	100.0
86.06079	1.0
86.09694	1.5
86.56189	0.7
87.00835	40.7
87.04474	1.8
91.03965	2.2
91.05462	1.4
93.07074	0.7
94.06525	0.8
95.04998	0.8
95.08590	0.7
97.02898	28.8
97.06539	0.9
98.06078	0.8
99.04461	14.2
103.03938	0.7
103.05466	0.8
105.01872	66.7
105.07036	14.2
108.04492	2.9
109.02885	28.7
115.03936	1.3
117.01871	3.2
117.05474	0.7
119.04967	0.8
119.08578	1.8
126.05532	1.9
127.03924	68.4
129.01796	3.0
132.06593	1.7
143.08574	0.8
145.04967	35.0
147.02905	3.4
147.04433	0.9
159.02895	15.7
171.02841	1.1
189.03917	3.1
213.03998	2.7
213.09195	1.3
230.06529	0.9
231.05022	24.9
231.10185	0.9
248.07715	2.0
249.06067	9.4
276.61099	0.7
330.65082	0.9
335.11469	1.8
344.24530	0.8
352.24814	0.9
370.26123	2.8
382.26797	0.8
388.16376	3.4
388.22650	0.8
388.26993	6.6
389.17984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	31.9
55.05506	43.7
57.07083	17.6
67.05505	93.3
69.07061	42.7
70.54921	31.5
79.05504	56.8
79.68227	13.5
81.03416	28.9
81.07059	100.0
83.04984	14.4
83.08615	16.3
85.06541	33.3
91.05451	82.8
91.58567	14.2
93.07044	86.5
95.04978	15.5
95.08602	72.2
105.07019	65.9
107.04951	32.9
107.08599	49.1
109.10159	36.8
117.07033	32.8
119.08572	44.1
121.06519	18.8
122.85090	15.1
129.07033	22.0
131.08583	41.0
133.10190	32.8
135.11710	41.6
143.08597	40.1
145.06502	25.1
145.10193	17.6
147.08018	24.3
149.13271	28.5
157.10179	29.1
159.11711	50.9
159.99875	14.3
161.09644	24.3
171.11684	20.3
175.11258	12.6
177.12706	48.8
199.14798	48.1
231.02522	16.2
273.75302	13.4
273.78256	18.3
311.30783	16.8
355.26089	95.5
387.29092	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	387.2853
Annotation	Neoenactin NL2
Peak:m/z	Relative Intensity
50.03584	0.4
53.03931	0.9
55.01865	1.2
55.05513	2.7
56.05034	2.4
56.96559	0.6
57.03428	0.8
58.06586	0.5
60.04528	12.0
61.02921	0.9
61.22982	0.3
65.03925	0.5
67.05217	0.5
67.05505	4.8
68.05004	0.9
69.03423	1.9
69.07073	2.3
70.06242	0.6
70.06593	6.2
71.04988	1.1
71.21384	0.8
72.04515	5.1
72.08162	4.2
73.02914	0.5
79.05489	3.4
80.05020	2.7
81.03398	1.7
81.07065	5.7
82.06561	1.3
83.04979	1.0
83.07384	0.5
83.08607	1.5
84.04501	3.0
84.08140	3.5
85.02905	3.7
86.06067	1.1
86.09705	3.6
90.05559	4.7
91.05479	3.0
93.07055	3.5
94.06573	3.1
95.04961	1.4
95.08603	5.3
96.04469	2.3
96.08121	1.7
97.02895	1.4
97.06502	0.5
97.10162	1.0
98.06064	1.2
98.97569	1.1
99.04472	0.7
100.04033	0.5
102.05550	0.9
103.05453	0.5
105.07046	2.5
107.04993	1.0
107.08611	2.9
108.08119	0.9
109.02881	1.0
109.06535	1.0
109.10180	2.6
110.06039	4.0
110.09673	1.5
111.08044	0.7
114.05531	3.8
115.05454	0.6
117.07026	0.6
119.08582	1.8
120.08091	1.5
121.06496	0.5
121.10124	2.8
122.06012	1.3
122.09644	0.6
123.08065	1.3
123.11702	0.5
124.11221	0.7
125.06017	0.5
127.03927	1.4
128.07080	0.7
128.91805	0.4
129.10251	1.2
131.04965	0.7
131.08565	1.1
132.06560	9.3
133.10168	1.3
135.11722	1.0
136.07552	1.6
136.11243	0.9
137.06021	0.8
137.09615	1.4
143.11761	0.6
144.06633	0.5
145.04933	0.5
145.10144	1.1
147.07986	0.8
147.11699	1.2
149.09621	4.0
150.12744	0.6
151.07574	0.9
157.06479	0.6
161.13297	1.0
163.11153	1.1
167.07036	5.2
171.11583	0.5
173.13297	0.6
178.15953	0.5
181.12241	1.5
189.12766	3.0
192.17445	1.2
192.82925	0.4
196.20656	0.9
203.07216	0.5
206.19064	1.0
207.10297	0.6
207.13864	3.3
208.20642	1.8
212.20113	3.4
218.18927	0.7
219.01726	0.6
220.20567	0.6
225.14868	5.6
225.23352	0.8
226.25037	0.4
228.13187	0.5
233.08084	0.9
236.20142	1.0
238.21660	7.4
244.20648	1.4
246.14183	1.7
246.22145	0.8
248.20142	0.5
249.23334	1.2
250.21599	2.4
253.22766	2.1
256.20554	1.1
261.07590	0.6
261.23135	3.0
262.21759	1.1
263.09274	0.4
266.21286	0.5
267.24420	1.7
268.22784	1.4
273.23309	6.0
274.21677	4.2
279.24286	4.5
291.08661	0.6
291.24310	9.1
292.22751	5.5
303.24429	1.0
309.25473	1.2
310.23752	0.6
315.24139	0.5
321.25574	0.6
326.10638	0.5
327.26440	7.3
333.25372	1.8
345.12085	0.6
345.27609	1.8
351.26459	8.3
369.27515	52.6
370.27869	1.3
387.28558	100.0
388.28098	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	387.2528
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03942	3.6
55.01872	3.9
55.05262	1.1
55.05512	14.0
57.03429	2.4
57.07069	2.5
63.16870	0.9
65.03938	1.6
67.05179	1.7
67.05511	24.1
69.03436	6.4
69.07072	12.2
70.34901	1.5
70.35311	1.7
71.04982	3.6
79.05064	1.7
79.05497	19.0
81.03424	13.1
81.06583	1.6
81.07056	22.7
83.04992	6.9
83.08617	6.0
85.02910	3.1
85.06504	1.0
86.24052	0.8
91.05479	19.5
92.18371	0.8
93.03388	0.7
93.07043	20.1
95.01340	1.7
95.04977	7.2
95.08615	15.4
97.02888	5.1
97.06537	3.1
97.10177	2.7
97.89896	0.8
99.04427	1.9
99.08070	1.5
103.05463	2.3
105.07037	22.8
107.04961	6.0
107.08590	12.1
109.02872	1.9
109.06503	3.7
109.10162	8.9
111.04462	6.2
111.08047	1.1
115.05474	2.2
117.07024	16.2
119.04930	1.0
119.08592	16.4
121.06474	2.7
121.10146	8.3
123.04421	5.4
123.08063	1.7
123.11666	2.2
125.09629	1.4
127.03885	1.1
128.06226	5.1
129.07013	13.6
130.07761	1.9
131.04916	2.3
131.08572	20.7
133.06505	6.2
133.10144	10.8
135.04430	1.3
135.08051	3.5
135.11697	4.7
137.05960	2.3
137.09621	1.6
141.06955	6.1
142.07764	3.2
143.08563	17.0
144.09331	1.4
145.06508	5.9
145.10124	17.1
147.04422	1.0
147.08061	4.3
147.11700	6.6
149.06003	1.3
149.09630	2.3
149.13228	2.4
151.07565	1.7
151.11171	1.8
153.07005	1.8
153.12595	0.9
155.08589	9.2
157.06520	4.5
157.10135	11.9
158.07222	1.3
159.08067	4.7
159.11676	12.1
159.55186	0.9
161.06020	3.0
161.09602	3.8
161.13243	2.7
163.07518	1.8
163.11205	1.2
165.06950	1.7
165.09138	1.4
166.07835	2.0
167.08565	3.8
169.06526	1.3
169.10159	8.7
171.08066	4.7
171.11707	9.4
173.06111	1.2
173.09688	4.0
173.13281	7.3
175.07530	3.8
175.11206	3.1
175.14827	1.4
177.09071	1.4
177.12752	0.9
179.08540	1.7
181.10132	3.4
183.08066	2.7
183.11664	6.2
184.08757	1.6
185.09636	4.8
185.13239	9.2
187.07565	2.6
187.11215	4.0
187.14813	2.2
189.09181	1.5
189.12706	2.7
193.10175	1.9
195.11653	4.2
197.09622	2.5
197.13228	4.4
199.11209	4.7
199.14842	5.1
201.09103	1.5
201.12810	2.8
201.16454	1.2
203.10735	1.9
203.14400	1.9
209.13284	4.3
211.11220	2.3
211.14842	4.4
213.12752	3.1
213.16295	1.8
215.10770	1.3
215.14323	2.5
217.12286	1.7
217.15791	0.9
221.13371	2.2
223.14938	1.4
225.12720	2.1
227.14410	1.9
231.13799	2.0
235.14940	1.1
237.16377	1.4
239.14331	2.2
243.13855	1.9
245.15466	1.3
259.17087	1.0
259.20554	1.8
271.16949	1.2
271.20551	1.5
273.22302	1.2
277.21671	3.5
283.20514	1.3
285.22147	1.3
289.21646	2.2
297.22015	2.3
299.20111	1.3
299.23550	1.8
301.18390	1.0
301.21713	2.5
303.23260	2.4
309.22205	2.0
313.18201	0.9
313.21558	4.0
315.23309	2.5
323.23740	3.4
325.21555	1.2
327.23181	6.8
333.22009	2.3
341.24759	10.2
343.22784	1.4
351.23178	18.3
357.24396	1.3
359.25793	2.4
369.24268	64.2
370.24542	1.4
387.25305	100.0
388.25644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01868	3.1
55.05502	5.1
56.49285	1.0
57.03441	1.2
67.05508	6.6
69.03431	3.5
69.07076	7.8
70.06596	1.3
71.04982	2.9
71.57352	1.0
79.05489	11.3
80.76907	1.1
81.03431	2.9
81.06587	1.5
81.07059	17.4
83.04975	4.3
83.08617	4.4
84.08138	1.4
85.02911	3.7
85.06549	100.0
85.71986	1.1
86.09703	1.3
91.05499	7.0
93.06472	1.7
93.07047	25.5
95.04972	3.9
95.08613	8.4
97.02920	1.8
97.06539	51.7
97.10197	1.2
98.97574	2.5
99.04459	2.0
99.08075	2.7
105.07043	11.0
107.08604	17.2
109.02903	2.1
109.06487	1.3
109.10175	3.3
111.04467	2.8
111.08054	3.2
115.05386	1.3
117.07007	1.9
119.08596	8.2
121.10154	39.1
123.08072	2.6
123.11732	3.0
125.09652	1.4
127.03957	2.4
129.05499	1.5
131.08537	1.9
133.10170	2.8
135.08055	1.5
137.05981	7.8
137.09616	2.9
147.04369	3.3
147.11696	3.7
149.09613	1.3
149.13269	23.6
159.11720	9.9
165.12726	7.2
167.07069	2.6
167.14343	3.8
177.12776	24.8
191.07098	1.2
195.13829	39.1
213.14873	8.6
243.08514	1.7
258.52835	1.2
327.26517	2.8
337.10605	1.3
351.18027	3.3
355.17230	2.6
369.13885	1.9
369.19080	19.1
387.14459	4.0
387.19864	3.2
387.25372	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	4.0
55.05512	4.3
59.05006	12.7
66.31741	2.0
67.05500	8.7
69.03439	4.9
69.07083	2.2
70.02433	3.9
70.02785	9.3
70.06583	5.1
72.08146	3.5
79.05487	5.2
81.03412	3.1
81.07048	6.6
83.04984	2.2
84.08128	3.2
85.02901	11.2
86.09703	9.5
88.93759	1.7
91.05489	10.3
93.07032	10.6
93.58002	2.0
95.04948	2.6
95.08598	9.0
97.02885	4.1
98.97581	6.6
100.62496	2.2
101.06011	5.3
105.07040	18.8
107.04954	3.9
107.08607	40.2
109.06515	12.8
109.10148	8.5
119.08587	12.0
121.06494	3.6
121.10126	2.5
122.03655	4.3
123.08060	20.5
127.03914	2.8
131.08588	2.7
133.10133	4.8
135.08032	8.9
135.11691	8.9
137.05986	100.0
137.09618	82.4
141.88388	2.6
145.06467	2.6
147.08037	3.8
147.11662	6.2
149.09628	4.4
151.03877	4.8
151.07571	2.5
153.09103	5.0
161.13330	5.4
167.07021	8.9
172.81262	2.2
173.06012	4.4
181.04933	12.3
189.12730	8.4
203.07109	5.8
205.08678	3.2
207.13800	14.3
215.06876	2.5
225.14828	2.6
243.09108	3.5
279.06931	2.5
355.09424	3.4
357.13321	12.3
369.27448	6.5
387.14279	37.8
387.28809	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	387.2013
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01873	2.0
55.05508	3.6
56.05035	4.5
56.96553	2.7
57.07065	5.5
57.31424	1.8
58.95640	2.3
60.04531	2.4
67.05508	23.5
68.05042	2.0
69.03407	5.8
69.07072	4.8
70.06589	11.3
70.73602	5.8
72.08150	3.6
79.05489	4.2
79.42492	1.9
81.03386	2.6
81.07051	5.4
83.04980	3.7
83.07266	1.8
84.04489	2.6
84.08162	16.4
85.02908	11.8
85.06554	14.8
86.09707	10.0
91.05457	4.7
93.07067	11.0
95.08618	100.0
97.02881	2.0
97.06507	2.2
98.97589	3.9
105.07027	7.6
107.08601	11.4
109.02880	2.2
109.10156	4.4
110.09686	2.7
111.08143	2.1
113.06029	12.0
119.08583	18.2
121.10139	9.2
123.08081	35.6
123.10946	2.1
123.11703	9.3
129.10225	4.9
131.08583	2.7
133.06505	2.6
133.10114	6.9
135.11714	15.3
137.09657	2.2
145.04932	2.4
147.11687	7.0
149.09633	30.0
151.14838	4.7
161.13260	12.9
163.11189	11.0
165.12724	8.2
174.10332	2.3
179.14340	3.1
189.12743	17.7
195.13806	2.9
207.13824	74.1
216.91667	2.1
225.14787	2.8
232.89941	2.2
253.22743	3.1
273.23352	3.0
291.24173	2.8
327.26392	7.2
333.16916	2.7
351.17725	2.6
351.26398	8.0
369.27527	29.3
387.16159	5.0
387.20651	4.1
387.28784	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
53.70063	3.0
55.01860	3.4
55.05518	17.1
67.05510	43.1
69.03428	4.9
69.07053	11.9
70.73550	6.9
70.73926	6.8
70.98060	2.8
79.05499	48.0
81.02986	4.0
81.03427	50.9
81.07058	43.2
83.04964	6.4
83.08595	7.8
89.03889	3.6
91.05479	44.6
93.06555	4.0
93.07053	48.8
95.04957	14.1
95.05495	3.5
95.08614	17.3
97.06532	6.0
97.10139	6.8
103.05469	7.3
105.07040	24.7
107.04943	5.6
107.08578	12.5
109.06506	5.4
109.10163	20.1
111.08046	5.9
115.05419	7.2
117.07054	4.3
119.04971	3.4
119.08607	17.3
121.06469	4.6
121.10152	30.4
123.11783	4.2
129.06975	9.9
131.04929	6.9
131.08557	14.3
132.09363	3.6
133.02859	9.1
133.10194	17.9
135.04422	5.7
141.06929	5.3
145.02817	5.6
147.04445	7.1
147.11667	14.5
149.05952	4.3
149.09590	25.9
151.11145	4.1
157.06541	3.6
157.10118	5.2
159.04410	30.9
161.02338	23.5
161.05928	5.0
163.03920	58.6
165.12822	6.0
173.02370	55.8
173.05966	10.9
175.03947	4.3
175.07523	3.6
175.11160	5.0
183.04301	4.4
185.05931	15.4
187.03915	46.7
193.12260	16.3
199.03883	28.8
201.05528	18.1
201.09210	3.9
203.03394	11.0
213.05487	54.7
215.07063	10.6
225.05333	3.7
225.14796	3.3
227.07025	6.9
229.07495	4.7
241.08498	4.2
267.13803	41.3
283.13297	15.9
293.11691	21.2
309.14951	5.2
311.12747	56.4
311.16348	12.8
327.16055	15.6
329.13776	9.5
337.14328	25.2
355.15402	100.0
373.16397	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	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
52.77056	1.2
53.03943	4.3
55.01868	3.4
55.02703	1.0
55.05274	1.2
55.05515	17.0
57.03431	2.4
67.05173	2.2
67.05508	27.7
67.52254	1.0
69.03429	3.0
69.07070	7.4
71.04994	2.5
71.21034	2.1
71.21371	1.6
79.05061	2.0
79.05497	30.5
81.03423	60.3
81.07060	25.2
83.04982	8.0
83.08611	7.8
84.96030	1.1
85.06540	2.6
91.05485	30.3
92.53883	1.3
93.07050	23.7
95.04977	16.7
95.08623	12.6
97.02850	1.5
97.06542	3.9
97.10164	5.9
102.52314	1.0
103.05447	1.2
105.07037	27.4
107.04978	4.3
107.08602	12.0
109.06522	4.1
109.10149	9.0
111.08083	3.4
115.05431	4.2
117.07028	4.4
119.08592	15.7
121.06569	1.8
121.10159	15.6
123.08059	4.0
123.11720	2.6
129.07007	9.9
131.04933	2.7
131.08577	9.1
133.02846	3.1
133.06509	1.4
133.10144	8.5
135.04399	2.5
137.05981	1.3
141.06985	1.9
142.07805	1.6
143.04932	2.3
143.08557	3.1
145.02831	2.5
145.06441	3.3
145.10129	2.0
147.04436	8.3
147.08054	1.8
147.11694	12.8
149.05946	2.7
149.09622	9.9
151.07521	1.5
151.11180	2.5
153.06955	1.3
155.08569	1.7
157.06540	5.4
157.10115	6.7
159.04424	11.0
161.02328	6.7
161.06027	1.7
163.03918	46.3
163.11234	1.2
165.06944	2.0
165.12756	5.7
169.06494	2.5
171.04407	2.1
171.08115	1.2
173.02373	20.1
173.05984	9.4
173.09807	1.1
175.03896	2.7
175.07610	1.4
175.11217	5.1
179.08485	1.5
181.06427	3.9
183.04471	1.6
183.08096	2.8
185.06032	5.3
187.03922	16.3
187.07544	3.2
189.05499	2.1
193.12256	12.9
195.08061	1.6
195.11708	1.4
197.06000	2.0
197.09792	1.3
199.03935	10.8
199.07535	1.6
201.05588	6.0
201.09163	1.5
203.03323	3.4
211.07530	2.2
213.05498	16.3
215.03401	1.5
215.07007	2.8
217.04980	1.5
221.13272	1.6
225.05617	1.5
225.14923	2.3
227.07054	2.0
229.04947	1.5
229.07404	1.4
239.07034	2.2
241.12299	1.3
247.11137	1.4
249.12653	2.2
265.12335	3.4
267.13818	60.0
283.13248	3.8
285.14874	4.0
293.11755	7.7
306.14063	1.3
309.14856	4.9
311.12726	17.2
311.16415	14.7
327.15942	5.6
329.13864	2.5
337.14441	9.2
343.84378	1.0
355.15405	100.0
356.15582	1.7
369.23953	1.2
387.25543	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	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.66503	0.4
53.03949	1.0
55.01867	1.8
55.05502	1.9
56.16814	0.4
56.96554	1.1
57.03434	0.8
59.04650	0.4
59.75013	0.4
65.03937	2.1
67.05508	3.6
69.03410	1.5
69.07052	1.6
69.36890	3.7
70.06606	0.6
72.08138	0.4
73.02538	0.5
79.05490	3.5
81.03410	1.5
81.07055	3.8
83.04987	0.9
83.08615	1.2
84.08124	0.6
85.02905	2.3
85.06547	3.0
86.06082	0.7
91.05489	2.7
93.03397	0.6
93.07056	2.3
94.04183	1.9
95.04943	1.3
95.08620	2.9
97.06537	7.1
98.97601	1.1
99.04446	0.9
99.08130	0.5
103.05484	4.5
105.07034	1.8
107.04961	2.2
107.08579	1.1
108.02119	0.8
109.02908	0.7
109.06459	0.6
109.10145	1.0
110.03681	0.7
111.04467	0.7
115.05446	1.5
117.07025	2.8
118.04129	1.0
119.04938	0.6
119.08575	1.3
121.06461	0.5
121.10131	1.9
122.03657	8.3
123.04452	0.7
127.03918	0.9
129.06895	0.5
131.04944	5.0
131.08630	0.5
133.06499	1.5
133.10181	0.6
135.11629	0.5
136.07567	0.7
137.05980	100.0
138.06340	1.0
143.04892	3.2
145.06528	2.3
147.04393	1.7
148.05179	1.8
149.06033	0.7
149.13249	0.9
151.03917	11.9
151.05025	1.1
155.06023	1.2
159.11711	1.2
161.05905	0.9
161.09596	0.5
163.03870	1.1
163.07545	4.3
167.07034	11.9
171.06551	0.5
173.02374	0.9
173.05956	3.0
175.07555	2.0
176.04738	0.6
177.00729	0.5
177.05498	0.8
177.12762	0.8
181.04962	19.5
187.07642	0.5
189.06853	0.5
191.07024	15.6
195.06509	1.0
195.13744	1.4
203.07004	2.0
205.06793	0.5
205.08566	2.2
206.07289	0.5
207.08090	0.5
207.10179	0.5
213.05481	0.5
215.07024	1.3
218.07309	0.5
219.08185	0.7
219.17447	0.7
233.08130	1.4
235.09688	1.8
237.03035	0.5
247.07695	0.5
249.09090	0.9
251.06960	0.5
259.09589	1.5
263.21027	0.5
265.08640	0.6
277.08713	1.2
277.21805	0.5
279.10153	0.5
295.09784	0.6
304.07474	0.6
305.08203	1.2
307.09573	0.9
309.11984	0.7
311.12848	0.5
319.09607	0.9
327.12338	1.0
327.26471	1.8
337.10736	2.8
351.12183	1.5
355.11575	1.1
357.13321	13.1
357.17542	0.9
369.13351	2.3
369.24750	0.8
387.14401	35.6
388.14990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	1.7
61.02924	1.5
63.53084	0.8
65.03934	1.6
67.05486	0.8
69.03423	3.5
69.99374	1.4
69.99730	3.2
70.02953	2.1
70.06608	5.8
72.08143	1.8
73.02907	0.8
74.02443	17.4
74.66505	0.9
81.03408	1.9
84.04519	1.1
84.08136	2.6
85.02915	6.0
86.09726	1.3
87.04476	1.0
88.03996	4.2
91.05486	2.2
92.05000	2.5
93.03403	1.2
97.02888	3.0
98.97585	2.6
108.06342	0.9
110.06051	100.0
111.04457	0.8
111.06383	1.0
116.03493	1.5
116.98646	1.4
119.04952	2.0
127.03915	2.1
134.06013	3.7
136.04016	1.3
139.09531	1.1
145.04953	1.0
147.04430	6.7
149.51099	0.9
152.07115	1.1
161.07100	5.9
167.03395	3.1
167.07039	3.7
179.08180	11.0
190.05087	2.1
203.10352	1.1
207.07639	14.4
207.09189	0.6
223.04243	4.0
225.08725	57.6
303.09763	1.3
343.13519	2.0
387.12411	5.6
387.27258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
56.96566	2.7
60.04526	2.6
69.58120	2.3
69.86172	2.6
69.86465	13.9
70.06598	24.6
72.08147	5.6
73.02889	3.0
79.05501	3.2
81.07064	3.9
84.08139	17.4
85.02896	11.3
86.09704	10.0
91.05470	9.1
95.04938	3.7
97.02888	4.0
97.06528	4.0
98.97536	4.2
103.05437	3.1
112.08741	3.0
114.75720	2.8
115.05443	4.2
117.07017	3.2
119.04924	8.0
125.06017	2.9
129.10185	3.3
131.04944	7.4
137.05992	6.8
141.06960	3.0
145.02812	3.8
145.06500	4.4
147.04442	31.8
149.05965	8.0
151.03928	12.2
153.05469	5.9
157.06380	2.8
159.04414	3.8
161.05972	5.1
163.07510	4.2
167.03424	3.4
167.07018	11.5
169.06526	5.5
170.99849	2.5
171.04395	9.0
175.07608	4.2
176.04700	5.9
177.05476	32.1
185.06073	2.4
187.07501	4.4
189.05475	7.3
190.06244	3.1
191.07027	21.6
197.06027	3.7
200.04758	4.0
203.07014	8.0
205.04965	6.0
207.06519	9.1
213.05562	3.4
214.06201	7.4
215.07045	7.0
217.04927	6.5
217.08458	4.5
219.06549	27.8
221.04468	13.5
227.07042	8.6
229.08534	12.2
231.06465	13.6
243.06454	10.3
245.08121	5.5
255.06387	5.8
257.08081	6.0
259.06125	2.6
271.04025	3.0
273.07529	7.2
291.08578	6.2
295.08447	4.5
301.07220	3.1
309.09491	4.0
319.07770	4.7
337.09180	100.0
341.98889	2.6
343.13864	6.7
345.02460	4.4
369.27344	2.6
387.12027	32.7
387.17099	20.7
387.27676	9.7
394.56763	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	387.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67764	1.2
55.05496	5.1
56.05020	2.5
56.96577	1.6
57.03445	1.5
59.05001	1.5
60.04522	3.2
60.19767	1.2
67.05486	1.3
69.03434	3.4
69.07051	1.7
69.44199	10.1
70.06596	14.4
72.07806	1.9
72.08158	24.1
79.05495	1.5
81.03400	1.6
81.07048	2.0
83.04979	4.8
84.04512	2.4
84.08149	45.6
85.02902	10.0
86.09718	9.6
87.05626	1.6
91.05479	3.9
93.06998	1.6
95.04954	4.5
97.02912	3.7
98.21452	2.3
99.04464	2.2
107.08589	2.0
109.10122	1.5
112.08731	1.7
116.07094	9.4
116.31841	1.2
118.67184	1.5
118.97173	1.3
119.04952	5.5
119.08598	1.5
123.08097	3.2
129.10245	3.6
137.05952	1.5
137.09613	2.2
139.07344	1.5
147.04413	14.7
148.04726	1.9
149.05972	1.3
149.09596	1.6
151.07510	2.2
163.03874	1.2
167.07059	4.1
171.14899	5.2
173.12846	6.4
187.10837	4.9
189.12401	6.5
199.14386	4.7
201.12401	4.3
207.13826	4.3
225.14810	8.0
227.05235	2.5
229.15358	1.4
272.15964	1.5
273.64725	1.7
301.12537	5.2
309.21625	2.8
333.25381	1.4
343.13635	34.2
365.71301	1.6
369.27444	2.6
387.12503	100.0
387.16406	49.7
387.24292	5.4
387.28159	7.5
388.12881	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	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85625	16.5
54.17158	16.4
54.37832	15.5
55.05499	22.7
66.68259	17.0
67.05497	38.7
67.61961	15.4
69.07047	18.4
69.69586	100.0
79.05515	39.9
81.07055	46.9
93.07064	24.7
95.08628	31.2
97.06517	33.8
107.08621	26.8
109.10131	22.1
117.07072	20.6
133.10132	22.4
212.68903	18.7
225.85995	17.2
268.00818	19.1
343.76556	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.7
56.96571	54.1
57.07090	16.0
67.05496	17.5
67.30792	12.0
70.09243	30.3
70.09634	27.5
71.04993	18.8
81.07088	15.8
83.05004	13.3
85.36887	11.8
93.07079	16.9
97.06537	13.8
107.08548	12.3
121.12064	11.9
128.98682	13.2
149.20647	11.3
175.01575	81.2
183.91135	12.2
229.77023	11.8
294.21460	51.8
309.77942	13.7
327.12766	20.4
331.13040	88.5
345.13831	54.3
363.14697	100.0
368.25156	25.3
381.15903	35.7
387.19608	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	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01881	3.0
55.05510	2.2
56.05025	1.6
56.96561	1.3
57.03440	30.5
59.04997	1.3
60.04533	6.6
61.02931	15.9
68.30289	1.1
69.03432	37.8
69.74400	4.6
69.74807	2.9
70.06594	5.1
71.01348	3.5
71.04999	1.6
72.04501	1.7
72.08154	1.4
73.02921	68.1
74.06059	1.2
80.24891	1.1
81.03407	5.6
84.04515	1.7
84.08150	7.0
84.96026	1.3
85.02908	100.0
85.08463	1.5
86.09743	1.2
87.04482	7.9
91.03941	4.5
91.05485	3.5
96.08118	1.6
97.02896	55.8
97.08939	2.4
98.97580	3.1
99.04446	3.2
103.03928	3.0
109.02879	9.5
110.07160	3.4
110.09686	3.4
111.09994	2.2
115.03931	39.9
119.04896	1.4
124.99223	1.3
127.03917	32.8
129.10252	1.5
132.06589	3.7
133.04971	23.7
145.02985	2.6
145.04970	69.3
147.04422	2.5
150.07608	5.0
163.06029	37.9
167.07042	2.0
177.05476	4.2
210.07501	1.2
210.18529	3.1
211.18874	4.7
219.01797	2.5
223.06047	4.0
236.20218	1.7
237.13377	9.1
237.20447	3.7
241.07135	5.5
259.08194	4.8
260.22037	2.1
267.21512	1.5
273.20459	1.5
278.23190	3.0
290.23035	4.7
291.21515	4.9
295.10303	5.5
326.25244	4.2
344.26212	1.5
350.25162	4.0
368.21854	1.4
368.26251	25.0
386.21994	6.6
386.27283	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
57.03441	22.6
60.04512	1.6
61.02935	11.3
69.03438	26.9
69.65071	4.8
69.65499	5.4
70.06582	4.6
71.01355	2.6
73.02922	64.5
81.03416	4.7
84.08152	4.4
85.02908	100.0
86.38010	1.7
87.04462	3.2
91.03946	4.5
94.93832	1.7
96.82611	1.6
97.02896	47.0
99.04468	4.0
103.03933	2.3
103.26279	1.7
103.61845	1.5
109.02892	7.6
115.03944	28.1
127.03920	30.1
133.04971	20.8
145.02666	2.1
145.04964	50.4
150.07654	2.7
163.06036	29.1
169.57819	1.5
211.18893	2.0
223.05881	3.3
237.13319	7.9
241.06963	3.6
259.08093	4.3
295.10172	4.3
368.26297	5.7
386.22232	2.4
386.27289	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.2
57.03435	0.5
60.04531	6.4
68.05008	0.9
69.03420	0.6
70.06582	1.8
70.80384	1.2
72.04514	3.1
73.02923	1.0
79.05502	0.9
80.05003	1.2
81.07053	0.7
82.06579	1.1
83.07373	0.9
84.04498	1.6
84.08138	2.8
85.02926	2.1
90.05565	3.0
91.05491	1.0
93.07034	1.0
94.06581	0.9
95.08601	0.7
96.04469	0.5
96.08128	2.7
97.02938	0.9
97.08922	6.1
98.09705	1.1
105.07035	0.6
108.08128	1.0
108.85261	0.4
110.06088	0.7
110.07157	0.7
110.09687	9.2
111.10475	0.5
114.05523	1.8
115.03931	0.6
120.08100	0.6
122.09657	0.7
123.10423	0.5
124.11237	1.8
127.03917	0.7
132.06570	5.5
134.09657	0.8
136.11243	1.4
138.12726	0.6
145.04939	1.4
148.11064	0.4
150.12767	1.8
152.14278	0.6
163.06026	0.8
164.14319	2.3
174.12814	1.2
176.14352	0.8
178.15909	2.8
180.17564	0.7
190.15970	1.0
192.17577	2.9
194.19034	1.8
204.17534	0.8
206.19038	0.8
208.17226	0.5
208.20695	1.2
209.04453	0.8
210.18570	6.7
218.19063	0.5
220.20647	0.6
223.21719	2.1
224.20039	0.7
224.88170	0.4
236.20102	11.8
247.21698	4.0
248.19992	2.4
249.23219	0.6
251.21271	1.2
254.19058	0.6
259.21753	3.7
260.20132	0.6
261.23212	0.7
262.21530	0.6
265.22760	3.7
266.21158	2.8
271.21759	2.6
272.20123	1.8
277.22763	6.5
289.22720	10.4
290.21149	6.3
296.78229	0.4
301.22717	0.7
307.23776	0.6
319.23901	1.5
325.24869	8.3
331.23569	1.9
343.25729	2.3
349.24924	5.7
350.55600	0.4
367.25946	33.8
368.26132	0.7
385.26974	100.0
386.27371	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43531	1.1
53.03934	2.2
55.01866	2.9
55.05307	1.2
55.05516	13.2
57.03448	5.7
57.57431	1.3
67.05515	12.5
69.03426	3.1
69.07076	10.2
71.08636	13.0
71.56907	1.7
79.05497	13.8
81.03419	10.1
81.07062	12.6
83.04982	3.5
83.08617	9.6
84.10433	1.2
85.02908	5.6
85.06541	2.8
87.11243	1.2
91.05482	8.5
93.07066	9.9
95.04964	8.7
95.08636	6.1
97.06520	2.3
97.10168	6.4
99.08098	8.2
105.07040	6.8
107.04948	3.5
107.08591	8.8
108.05697	1.2
109.06547	2.4
109.10157	4.8
111.08052	2.3
117.07036	2.7
119.08606	5.8
121.06503	6.4
121.10153	5.8
123.08049	2.4
123.11710	1.1
125.09640	5.1
126.01571	1.1
129.06984	2.9
129.56473	1.2
130.70012	1.3
131.08569	4.3
133.10146	4.6
135.08087	3.5
135.11771	1.4
137.06010	1.3
137.09607	1.8
145.10124	2.0
147.08063	1.4
147.11699	2.4
149.02351	1.2
149.09619	3.3
149.13251	1.7
151.11179	2.0
153.09033	1.6
157.10208	2.8
159.11691	2.8
163.11151	2.9
165.12767	1.9
167.10667	4.3
175.11215	2.0
177.12772	2.4
187.11111	1.6
189.11235	4.7
193.12263	8.1
211.13268	6.6
275.20105	5.0
285.16983	1.5
293.21130	100.0
294.21432	2.3
367.24954	30.5
385.26218	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	385.2585
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.01856	3.4
55.05510	15.4
56.13776	1.5
56.96592	2.0
57.03431	5.5
59.05001	1.4
67.05507	17.4
69.03442	3.1
69.07063	11.4
71.08634	16.8
71.42314	2.4
79.05495	14.0
81.03423	14.2
81.06700	1.3
81.07066	12.9
83.04979	5.7
83.08627	8.9
85.02882	4.6
85.06551	4.3
91.05487	10.8
93.07061	11.5
95.04955	8.0
95.08614	9.3
96.54623	1.6
97.06541	3.6
97.10181	8.8
99.08094	9.5
105.07027	5.9
107.04927	2.6
107.08598	7.8
109.06496	4.0
109.10143	3.3
111.04465	1.8
111.08081	3.7
119.08594	5.2
121.06499	5.8
121.10136	6.5
123.08083	3.0
125.09650	6.8
129.07048	2.4
131.08562	5.6
133.06435	1.5
133.10162	3.5
135.08044	3.0
135.11705	2.1
145.10094	2.0
146.43686	1.4
147.11716	2.3
149.09650	4.5
151.11203	2.0
157.10141	3.4
159.11752	2.5
165.12666	2.9
167.10703	5.2
169.10071	2.0
171.11635	2.0
175.11270	2.6
177.12781	4.1
179.44295	1.7
187.83922	1.8
189.11221	2.6
193.12292	12.2
211.13269	11.1
227.12773	2.0
240.89777	1.6
275.19995	4.6
293.21118	100.0
294.21320	2.1
349.21365	1.6
367.24887	33.3
385.09235	1.5
385.25571	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	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.7
55.01865	3.7
55.05514	17.1
56.96561	1.8
57.03428	3.5
57.07051	1.7
60.53801	1.1
62.17295	0.9
65.03934	6.8
67.05508	43.5
69.03431	6.1
69.07063	17.1
70.06580	2.9
70.56885	3.3
71.04983	4.5
71.43125	1.1
72.08149	1.1
76.46821	1.0
78.24993	1.4
79.05492	21.6
79.93378	1.1
81.03413	3.0
81.07059	85.9
81.42269	1.0
83.04982	19.1
83.08614	9.1
85.02893	4.6
85.06552	6.0
86.09701	2.6
91.04905	1.3
91.05479	27.3
93.03407	6.4
93.07047	16.3
95.04970	39.2
95.08604	15.9
97.06527	9.8
97.10185	1.2
98.97572	3.0
99.04470	1.2
99.08091	4.2
101.06024	1.7
105.04517	3.4
105.07031	44.8
107.08596	16.0
109.06527	6.3
109.10169	4.0
111.04454	21.8
111.08114	1.9
113.06044	1.7
115.07618	1.2
116.98650	1.4
117.07044	2.0
119.08578	34.3
121.02876	10.5
121.06549	1.3
121.10147	27.3
123.08061	4.8
123.11703	30.9
125.09650	2.4
127.07539	4.5
129.05496	2.7
129.07022	2.3
131.08572	2.9
133.10143	4.0
135.11691	1.5
137.09575	1.7
137.13252	2.4
139.03894	14.2
141.09128	2.0
145.10133	1.7
147.04440	2.3
147.11690	100.0
148.12015	1.3
149.09584	2.5
153.01799	11.4
157.04991	1.9
157.10147	4.3
165.12752	59.2
166.13066	1.1
175.11206	5.3
183.13805	11.2
193.12280	10.3
211.13303	5.0
215.07121	1.4
229.14339	42.4
252.44905	1.2
273.51294	1.1
275.16595	1.4
321.16962	3.7
339.17911	6.0
367.17505	80.5
385.12286	3.7
385.18466	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	385.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13595	1.3
57.03425	1.6
60.96135	1.3
61.02929	2.3
69.03442	3.3
70.08356	6.1
85.02892	6.8
97.02863	3.1
127.03941	4.6
136.06256	1.7
143.01868	3.1
145.04910	1.6
147.04454	1.8
161.02933	2.8
162.05505	3.0
192.05547	1.9
324.10672	1.7
385.10074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
55.01865	3.9
56.96561	2.3
60.04528	1.7
61.02910	1.7
69.03429	1.4
70.06601	6.4
70.71640	1.4
71.07061	3.0
72.08137	1.5
79.05500	6.4
80.10323	1.2
83.01354	1.8
83.04962	1.3
84.08141	2.2
85.02901	5.3
88.02219	3.7
91.05474	6.0
95.04976	3.5
97.02884	4.3
98.97579	2.9
103.05457	5.3
105.07036	54.7
107.04941	2.7
109.97752	1.3
110.07159	2.2
110.09695	1.6
115.03936	1.2
115.05458	12.8
116.98610	1.6
117.07016	2.6
118.04161	3.1
119.04922	2.6
123.04455	7.6
127.03933	2.2
129.07076	1.6
131.04913	5.0
132.04591	1.2
132.05664	3.1
133.06500	60.1
134.02682	3.9
136.06178	10.5
140.04616	1.5
143.03391	1.3
143.04970	2.5
143.06055	5.4
145.06445	6.5
147.04405	6.4
151.03897	3.2
155.07048	2.1
157.06464	2.0
160.05177	1.6
161.05989	100.0
162.07794	3.2
163.08008	2.2
167.07056	26.2
172.95245	2.0
173.05986	2.6
175.06116	2.0
175.07495	3.1
175.46643	1.3
177.05470	3.0
181.04924	2.2
183.06554	4.0
185.06010	1.8
189.05576	2.6
190.06221	2.7
190.96252	1.5
191.07079	1.9
193.08606	63.3
201.05545	2.5
203.06976	1.8
205.08591	5.3
205.28548	1.4
207.06560	8.0
217.04947	2.4
219.06540	4.4
220.07315	1.8
221.08109	2.6
223.09647	1.7
226.34592	1.4
226.99960	1.8
229.04912	2.3
231.06573	5.5
233.04390	4.5
233.08078	4.1
234.08932	1.5
235.06204	2.6
245.08072	2.2
249.07565	2.2
251.09169	24.6
252.07265	4.4
253.07555	10.5
261.07614	15.0
263.09177	2.7
271.02792	1.6
273.07382	1.9
275.09183	3.8
277.22824	1.9
279.08780	1.7
287.08850	1.5
289.07065	2.2
293.10168	3.7
303.08612	1.6
307.08188	6.4
319.08008	1.5
367.25934	4.9
385.01846	1.8
385.11179	4.7
385.27066	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	384.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11968	17.1
67.05491	31.2
68.71655	21.3
69.07060	30.6
69.26871	72.4
69.27289	100.0
71.89164	19.6
72.04505	56.3
78.45184	19.3
79.05468	33.3
81.07063	25.9
93.07034	30.4
95.08633	22.7
98.21516	43.5
105.07056	40.8
118.23877	26.3
119.08575	31.4
121.10161	21.8
125.07172	19.3
131.08690	22.8
133.10123	23.9
147.11676	27.6
163.11113	21.5
186.96797	24.2
202.30882	23.5
264.66986	18.3
265.66449	19.1
275.20135	36.0
378.26770	20.5
384.25638	99.4
384.42136	51.0
385.29065	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	385.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00565	0.4
56.96492	1.9
65.48591	0.3
70.56495	1.2
71.95210	0.6
98.97586	35.4
98.98505	1.3
99.97832	0.6
100.97137	0.8
100.97825	0.4
101.00894	2.5
116.98623	16.6
119.01926	4.4
134.64034	0.4
134.99681	4.3
138.48083	0.4
140.98776	0.6
152.63977	0.3
158.99898	1.9
177.00961	12.2
178.01018	0.7
182.99837	1.1
201.00851	3.0
217.04051	3.4
219.02007	22.2
220.02066	1.5
225.00826	2.8
234.99869	0.7
240.98744	1.3
242.98431	0.8
242.99179	0.7
243.02010	13.1
244.02103	0.8
257.34180	0.4
258.99829	12.9
259.99951	2.8
260.99722	10.5
261.03058	100.0
262.03198	5.3
263.03033	0.7
277.00833	12.0
278.01062	3.1
279.00623	12.2
280.94955	0.4
283.00027	3.6
284.00061	0.7
284.04593	1.9
284.99841	1.1
300.97897	0.7
301.00974	4.3
302.01526	1.2
303.00867	2.0
335.42731	0.5
335.72940	0.5
343.02237	1.6
360.99759	0.5
361.99899	0.7
363.51392	0.4
367.02176	2.7
382.98840	0.5
385.03284	19.3
386.03445	1.1
403.04678	16.4
404.04730	0.7
408.04617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.8
55.01868	19.7
55.05518	44.3
66.71671	7.9
67.05505	59.8
69.07058	60.1
70.86664	19.6
72.04512	78.9
75.91080	7.4
79.05498	62.0
81.03421	19.9
81.07061	89.5
81.54250	7.4
83.04986	8.3
83.08594	25.0
85.06519	10.3
91.05482	62.8
93.07050	51.7
95.04956	28.2
95.08616	51.0
97.06516	29.9
105.07021	62.6
107.04959	11.9
107.08607	38.3
109.06530	8.4
109.10139	26.3
111.08092	10.2
117.06984	19.9
119.08572	59.2
119.52998	7.7
121.10151	25.9
123.08061	13.8
131.08553	28.9
133.10124	46.5
135.11728	15.5
143.08473	11.5
145.10054	16.7
147.11688	47.1
149.09610	24.9
149.13243	10.1
151.11166	8.6
152.40224	8.5
154.94191	8.7
159.11745	39.1
163.11148	17.6
171.11798	11.0
173.13200	8.3
175.11253	8.0
177.12689	23.7
183.11743	10.0
186.96796	18.2
195.13820	13.8
204.97881	9.0
222.14868	14.4
222.34790	7.8
227.16396	9.0
234.14868	17.1
239.18005	11.6
244.56062	8.8
255.20161	8.1
257.18900	18.2
275.20065	100.0
289.21616	25.7
307.22705	14.8
338.25250	12.4
384.25851	35.5
385.29059	17.1
385.48367	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	384.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.2
67.05512	67.6
69.07072	29.3
69.65807	17.3
71.57213	34.4
71.57583	21.2
72.08164	22.6
79.05504	51.9
81.03415	21.5
81.07053	53.4
83.04961	31.2
91.05502	39.2
93.07070	46.3
95.08602	63.6
98.38348	16.4
107.08620	21.6
109.10170	26.2
119.08584	33.7
121.10159	17.1
145.10156	23.0
289.18015	100.0
321.20609	21.2
384.25882	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21547	2.3
53.03943	7.0
55.01873	9.1
55.05261	3.9
55.05511	56.4
57.03431	8.0
58.06594	2.3
65.03922	2.2
67.05171	3.7
67.05507	39.3
69.03430	5.7
69.07072	74.1
69.07460	3.6
69.78823	8.1
70.06580	3.2
71.04974	3.1
79.05058	4.1
79.05500	54.9
80.05019	14.5
81.07060	41.0
82.06590	2.7
83.04990	5.0
83.08620	32.7
83.26105	2.1
85.02892	4.2
85.06528	2.3
91.05482	23.3
93.07047	34.3
94.06573	16.9
95.04983	5.9
95.07367	2.8
95.08611	26.1
97.06528	11.8
97.10174	67.6
98.09697	3.7
105.07037	27.3
107.04958	4.4
107.08603	59.4
108.08129	7.9
109.06519	8.3
109.10165	12.5
111.08079	5.9
114.09161	5.7
117.07034	9.9
119.08585	19.8
120.08109	2.4
121.06506	2.4
121.10155	15.4
123.08041	3.6
123.11653	2.3
125.09635	70.9
126.04520	2.3
129.07045	3.2
131.08588	10.7
132.10216	14.2
133.10123	17.5
135.08037	18.8
135.11668	5.0
142.12267	3.3
143.08578	6.5
145.10150	13.1
147.11710	14.4
149.02362	13.0
149.09627	8.5
149.13293	3.2
150.12770	2.8
153.01840	5.0
153.09096	16.7
154.12175	2.1
157.10156	4.9
157.12273	6.1
159.11703	8.1
161.13261	7.5
163.11200	2.9
171.11728	2.4
173.11795	2.9
173.13272	5.3
177.12756	2.5
179.14384	3.1
183.11769	4.0
185.13258	3.7
186.14955	5.1
187.11261	2.7
193.04980	7.0
197.13367	2.8
203.12790	73.9
203.14172	3.1
204.13797	5.2
206.15361	3.0
226.18054	2.6
229.19507	3.3
236.16452	9.7
239.18057	6.0
247.20700	3.2
249.18756	3.1
257.19073	9.7
258.04889	2.6
275.20062	42.4
275.22812	3.8
289.21600	14.6
292.19565	3.1
297.04260	2.2
304.22940	3.0
306.20691	5.1
306.24271	100.0
307.22574	11.2
324.25226	3.1
366.26495	6.2
384.11536	9.0
384.27228	6.7
385.09131	12.2
403.69189	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	384.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	22.1
67.05502	46.2
68.27876	10.4
69.07062	16.3
69.20557	24.3
69.20963	76.0
72.29367	10.3
79.05501	32.4
81.03400	20.0
81.07047	58.7
83.04980	14.3
83.08638	11.4
91.05482	25.5
93.07049	41.1
95.08616	26.8
97.06506	13.9
105.07021	25.4
105.81501	10.8
105.89788	9.3
107.04970	12.8
109.06518	37.0
109.10146	24.3
111.04449	14.4
119.08570	20.0
129.07005	15.1
131.08574	14.3
133.10123	18.2
135.11690	14.4
143.08536	12.4
145.10095	16.7
147.11644	13.0
155.08678	11.0
159.11731	16.3
164.71606	8.7
169.10214	10.9
170.82466	8.7
171.11679	10.0
177.12726	11.8
187.11136	11.1
202.21307	11.0
236.39204	9.8
241.14374	12.2
245.32780	10.2
255.15787	17.0
289.18021	83.7
293.21191	30.9
300.47003	9.2
303.19653	22.0
307.18988	22.9
321.20633	100.0
338.26816	10.6
352.23618	12.8
358.32849	11.6
366.17734	10.4
367.24866	14.0
384.25659	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	70.8
67.05485	81.4
69.07055	49.0
71.57068	39.1
79.05479	62.6
79.80573	26.7
81.07053	100.0
83.05023	42.3
87.21883	29.0
91.05490	39.1
93.07037	98.4
95.08617	41.3
102.50235	29.6
105.07045	60.2
107.08592	33.0
109.10168	38.2
119.08612	54.3
120.48228	26.9
133.10104	51.8
289.17960	61.1
384.25876	90.6
385.23856	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	384.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.0
55.05507	16.4
57.03441	17.8
60.04541	16.3
61.42102	8.6
67.05511	48.2
69.07075	16.1
69.36102	70.8
71.08624	11.0
74.29089	9.2
79.05494	38.0
81.03432	10.3
81.07065	55.8
83.04949	14.5
83.08616	15.8
91.05482	30.2
93.07055	23.6
95.04966	25.5
95.08612	28.6
100.11288	13.5
105.07040	30.8
107.04947	36.1
107.08601	28.3
109.06503	16.6
109.10149	19.5
117.06992	17.4
119.08602	19.1
121.06526	9.2
121.10102	13.3
122.07300	8.8
131.08595	16.7
133.10120	12.0
135.11720	10.8
141.07050	9.5
147.04166	9.7
147.08044	16.8
147.11734	11.8
149.09587	9.3
154.12341	10.3
161.09576	11.2
173.09610	12.0
173.13298	10.5
175.11162	12.3
187.11356	11.0
210.78897	10.2
231.13669	8.8
233.15331	29.3
240.83507	9.6
265.18051	29.9
273.18546	18.8
287.37146	8.7
293.20975	12.3
304.20602	14.8
305.21118	32.4
307.22513	9.3
325.07425	9.1
333.24246	9.0
338.25171	11.8
339.21536	40.7
384.27527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53647	24.9
55.05508	38.8
55.41571	19.8
56.96561	46.6
58.82611	21.7
59.40304	22.4
67.05478	42.4
68.72673	20.1
69.07055	28.7
76.68036	23.7
79.05486	33.2
81.07029	39.2
83.04971	20.0
83.34393	20.7
93.07053	55.4
98.20726	47.4
99.33681	22.2
105.07015	38.8
107.08617	31.5
109.10142	30.2
117.75105	23.9
119.08574	36.0
122.74234	21.6
131.08521	30.3
137.06042	22.4
175.11203	24.6
224.45557	25.3
287.47342	22.7
293.21024	35.2
384.25858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14552	1.7
50.81467	1.5
53.03929	5.5
55.01868	7.5
57.03435	7.9
58.02957	8.7
60.04507	2.3
61.02912	8.2
67.05487	4.5
68.99774	5.0
69.03085	3.1
69.03430	41.0
69.61994	1.6
70.06583	3.9
71.04979	4.3
72.08155	2.0
73.02905	7.1
75.42284	1.6
79.05485	2.8
81.03422	29.8
81.07032	4.3
84.08133	3.7
85.02906	100.0
86.09689	4.3
87.00829	33.3
87.04457	1.5
91.03940	2.2
91.05485	18.2
93.07075	2.7
95.04974	2.2
95.06076	2.9
95.08601	2.0
97.02892	26.0
97.06548	1.9
98.21526	3.7
98.97555	2.2
99.04452	15.1
103.03969	2.7
105.01185	2.5
105.01863	34.4
105.07024	2.4
107.08559	2.6
109.02879	30.3
110.07167	3.3
110.09760	1.4
115.03847	1.6
117.01901	1.8
118.06511	4.7
119.07315	13.3
120.08111	19.3
127.02965	3.0
127.03916	62.0
129.01822	5.0
136.07581	90.4
145.04980	20.9
147.04393	5.5
151.83907	1.7
155.12990	1.6
159.02902	13.8
189.03951	4.8
191.11775	5.3
213.03848	2.1
229.33218	2.3
231.05060	11.6
243.08978	1.9
327.26111	1.9
366.22986	3.0
384.24124	5.3
391.72684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14552	1.7
50.81467	1.5
53.03929	5.5
55.01868	7.5
57.03435	7.9
58.02957	8.7
60.04507	2.3
61.02912	8.2
67.05487	4.5
68.99774	5.0
69.03085	3.1
69.03430	41.0
69.61994	1.6
70.06583	3.9
71.04979	4.3
72.08155	2.0
73.02905	7.1
75.42284	1.6
79.05485	2.8
81.03422	29.8
81.07032	4.3
84.08133	3.7
85.02906	100.0
86.09689	4.3
87.00829	33.3
87.04457	1.5
91.03940	2.2
91.05485	18.2
93.07075	2.7
95.04974	2.2
95.06076	2.9
95.08601	2.0
97.02892	26.0
97.06548	1.9
98.21526	3.7
98.97555	2.2
99.04452	15.1
103.03969	2.7
105.01185	2.5
105.01863	34.4
105.07024	2.4
107.08559	2.6
109.02879	30.3
110.07167	3.3
110.09760	1.4
115.03847	1.6
117.01901	1.8
118.06511	4.7
119.07315	13.3
120.08111	19.3
127.02965	3.0
127.03916	62.0
129.01822	5.0
136.07581	90.4
145.04980	20.9
147.04393	5.5
151.83907	1.7
155.12990	1.6
159.02902	13.8
189.03951	4.8
191.11775	5.3
213.03848	2.1
229.33218	2.3
231.05060	11.6
243.08978	1.9
327.26111	1.9
366.22986	3.0
384.24124	5.3
391.72684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.08
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	2.1
58.11615	2.2
58.26812	2.4
59.81292	2.0
69.03436	3.6
69.48711	8.8
69.49129	5.3
73.02909	1.9
81.03406	2.3
85.02894	7.3
97.02900	2.8
105.37566	2.1
116.51939	2.0
118.50952	1.8
119.01878	3.2
127.03921	2.8
147.04349	2.3
161.02919	2.2
173.02879	1.9
191.03944	4.1
198.02980	3.6
204.01620	2.3
223.58588	1.8
260.18332	2.0
272.06653	2.4
336.47800	2.4
341.84006	2.0
384.08289	100.0
385.09778	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	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01846	1.5
56.96550	1.4
57.03414	2.6
66.87029	0.6
69.03406	2.6
69.29067	6.4
70.06577	2.1
73.02905	1.5
76.63601	0.7
79.05542	0.9
84.04489	0.8
84.08124	1.8
85.02899	4.4
86.89819	0.7
87.04433	1.7
90.05601	1.0
91.05496	0.9
95.80377	0.7
97.02875	1.5
98.97577	3.1
105.07024	0.8
110.07143	2.7
113.03179	0.7
115.03925	1.2
116.98611	1.3
121.05131	1.6
127.03931	0.9
130.64706	0.8
135.06654	2.0
136.06189	16.9
136.07719	0.9
136.92838	0.8
147.04468	1.5
148.06171	5.7
158.99677	1.4
162.07744	34.1
172.95316	0.7
188.05676	13.5
192.05142	17.1
206.06729	6.8
224.13882	0.9
234.06265	10.6
252.07292	100.0
384.11530	28.5
384.16043	1.2
384.26254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03934	7.3
55.01871	4.4
55.05496	12.1
57.07067	6.3
59.04985	6.6
67.05505	22.4
69.03419	10.9
69.07057	5.3
69.80006	16.6
71.04990	5.9
74.79987	2.6
79.05492	25.1
81.07052	34.1
83.04980	7.1
83.08595	6.7
85.06499	4.5
91.04977	3.4
91.05490	45.4
93.07051	76.8
93.74948	2.5
95.04974	22.8
95.08615	33.9
95.67913	2.7
97.06535	17.0
103.05444	3.5
105.07037	78.9
107.04974	3.3
107.08590	36.9
109.06545	19.5
109.10179	20.0
111.08048	9.5
115.05474	5.2
117.07014	11.0
119.08581	48.7
121.06499	18.3
121.10146	46.5
123.08068	22.3
128.06227	7.1
129.06995	12.3
130.07828	5.6
131.08577	32.8
133.06493	7.3
133.10136	26.9
135.08083	16.6
135.11694	4.2
137.09633	8.7
139.11122	3.8
141.06982	6.0
142.07790	18.8
143.08566	22.1
144.09351	8.1
145.10129	42.9
147.08018	24.4
147.11720	11.1
148.08891	3.6
149.09575	19.7
151.07539	29.2
153.09032	3.2
153.92101	2.5
155.08542	8.4
156.09360	7.1
157.10127	42.1
159.08052	8.0
159.11688	18.2
161.09618	16.5
161.13280	4.2
163.11176	8.2
165.09125	32.8
167.08656	2.7
169.10138	8.0
170.10899	5.6
171.11696	11.0
173.09624	11.1
173.13248	10.0
175.11157	18.2
175.14838	6.2
177.09076	7.6
181.12189	3.5
183.11725	7.9
185.13277	15.5
187.11201	5.9
187.14825	3.7
189.12762	9.0
191.14369	3.3
194.10924	4.6
195.11743	5.4
197.13258	6.4
199.11163	7.0
199.14850	5.4
201.12740	7.4
203.14308	25.4
207.11908	2.8
207.13785	13.4
209.13383	6.1
209.15245	4.6
211.11317	3.6
213.12749	5.0
215.14328	11.8
216.15092	2.9
219.13719	4.4
221.13443	2.7
221.15349	67.6
223.14786	5.4
225.12825	3.4
227.14308	9.6
233.15349	8.4
234.16156	8.4
239.14276	3.3
243.13828	3.2
247.17097	3.8
260.88120	2.7
265.15939	3.2
267.17401	2.8
286.19281	3.6
287.20114	8.9
299.20056	4.8
303.19562	10.1
347.23642	4.0
365.24738	15.8
383.20859	5.7
383.25766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.32499	2.4
53.03943	4.9
53.91001	2.4
55.05517	14.9
57.03431	2.7
57.07056	8.7
58.91466	2.1
59.05008	5.7
65.03935	2.1
67.05238	1.8
67.05505	22.3
69.03419	10.1
69.07066	6.3
70.14930	5.4
70.15326	5.3
70.18830	2.1
70.27037	2.3
71.04987	4.8
79.05112	3.0
79.05501	27.7
81.07057	30.1
83.04961	3.9
83.08620	4.6
91.05479	39.5
93.07046	83.2
95.04974	23.1
95.08604	36.9
97.06514	11.9
100.93159	2.4
103.05462	4.0
105.07032	76.0
107.08595	42.1
109.05862	3.3
109.06522	17.4
109.10159	13.4
111.08090	10.7
117.06999	9.1
119.08578	47.9
121.06499	14.2
121.10139	38.6
123.08073	22.5
128.06230	6.9
129.06996	11.5
130.07796	4.7
131.08583	26.1
133.06499	7.8
133.10130	27.0
135.08067	19.8
135.11638	3.4
137.09630	14.6
141.06999	3.3
142.07765	19.6
143.08560	23.6
144.09312	5.0
145.10124	40.5
146.07304	2.5
147.08034	19.6
147.11694	11.1
148.08900	4.0
149.09630	19.7
151.07547	29.0
153.09135	3.6
155.08571	9.0
155.10590	3.3
156.09344	9.6
157.10139	36.6
159.08060	8.6
159.11679	13.8
160.08925	3.1
161.09662	22.8
161.13272	6.0
163.11188	5.5
165.09102	28.5
169.10106	7.0
170.10954	4.4
171.11667	9.1
173.09616	10.1
173.13312	6.9
175.11212	18.9
175.14812	6.5
177.09076	11.8
179.08540	2.7
180.09216	3.4
181.10141	3.1
183.11664	7.0
185.13309	17.5
187.11163	7.3
187.14836	4.3
189.12744	10.2
191.14334	4.0
195.11769	4.1
197.11652	2.7
197.13310	7.6
199.11140	4.8
199.15068	3.0
201.12762	6.2
203.14314	28.5
207.12048	2.6
207.13776	12.6
209.13257	6.6
209.15364	6.0
211.14761	4.1
213.12708	4.2
215.14326	9.3
219.13873	3.9
221.13429	3.0
221.15359	67.6
227.14349	6.0
229.15826	3.6
231.13696	3.6
233.15346	5.2
234.16090	8.7
237.14790	4.7
243.13776	3.2
251.17900	2.7
281.18976	4.2
286.19077	5.8
287.20163	11.4
299.20099	6.1
303.19522	8.1
365.24564	14.6
383.25784	100.0
384.25555	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.1
55.01890	2.5
55.05505	13.3
57.07064	8.9
59.04987	6.1
67.05203	2.6
67.05511	23.1
69.03427	9.9
69.07058	5.9
69.96513	5.4
69.96922	7.4
70.64955	2.2
71.04993	6.8
73.85506	2.1
78.15068	2.3
79.05498	25.8
81.03471	3.1
81.07069	22.3
83.04989	5.0
83.08630	4.3
85.06564	4.5
91.05486	34.6
93.07054	69.0
95.04961	19.0
95.08624	27.2
97.06535	10.0
98.21413	3.5
105.07040	57.0
107.08599	33.4
109.06510	16.7
109.10165	12.6
111.08124	5.8
117.07026	10.2
119.07777	4.4
119.08582	37.9
121.06499	9.3
121.10156	35.8
123.08081	20.7
123.11727	2.5
128.06204	5.8
129.07007	10.4
131.08580	25.3
133.06508	9.9
133.10139	23.2
135.08058	20.9
135.11685	5.4
137.09589	8.7
141.06989	4.8
142.07784	14.8
143.08586	19.4
144.09302	3.8
145.06552	3.6
145.10121	26.3
147.08078	15.4
147.11684	9.0
149.09633	22.9
149.13194	2.4
151.07549	27.3
153.07007	3.0
153.09029	4.4
155.08548	7.2
156.09406	4.1
157.10138	29.7
159.08095	6.5
159.11740	13.2
161.09662	11.4
161.13274	7.6
161.57068	2.3
163.11119	5.7
165.09126	28.5
168.09216	3.2
169.10123	7.4
170.10849	3.5
171.11713	6.5
173.09612	7.4
173.13312	8.5
175.11143	17.0
175.14827	6.8
177.09105	11.7
178.09930	4.4
181.10065	2.8
183.11737	7.1
185.09622	4.5
185.13264	11.2
187.11201	4.6
187.14894	3.1
189.12814	8.8
191.14322	3.5
195.11740	4.7
197.13329	5.5
199.14789	2.5
201.12810	9.3
203.14343	17.7
207.11911	2.1
207.13742	11.5
209.13289	4.4
209.15312	3.8
211.14861	2.9
213.12747	3.3
215.14337	6.7
219.13840	4.4
221.13503	3.2
221.15388	75.0
227.14264	6.3
231.13896	3.0
233.13286	3.3
233.15419	4.0
234.16187	10.0
267.17285	2.4
268.18237	2.6
281.18921	3.7
285.18671	2.9
286.19312	4.8
287.20035	7.1
299.20059	3.0
303.19522	5.5
309.18381	3.6
337.24896	5.7
347.23752	3.0
365.24826	16.7
383.25714	100.0
404.27780	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	383.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56538	0.2
55.05505	0.6
56.05026	0.7
56.96574	0.3
59.98814	0.2
60.04513	0.7
64.81033	0.3
67.05488	1.0
69.03423	0.5
69.07053	0.4
70.06597	1.9
71.05019	0.3
71.56912	0.3
72.04510	0.4
72.08171	0.4
79.05486	0.9
80.05006	0.4
81.07056	0.9
82.06580	1.1
82.81172	0.2
84.04489	0.3
84.08151	2.9
85.02889	0.8
85.68143	0.2
86.09712	1.0
91.05470	1.5
91.33456	0.3
93.07057	0.9
94.06568	1.0
95.08613	0.6
96.08140	1.6
97.06564	0.3
97.08915	6.3
98.06081	0.3
98.09711	0.7
98.97593	0.5
100.03999	0.6
105.07017	0.7
107.04953	0.4
107.08607	0.4
108.08121	0.5
109.06506	0.6
109.10099	0.3
110.07161	0.8
110.09692	5.9
119.08589	0.5
120.08093	0.7
121.10183	0.2
122.06033	0.2
122.09679	0.5
122.77416	0.2
124.11241	0.8
128.07091	0.6
128.98616	0.3
129.10280	0.3
132.06625	0.5
134.09656	0.4
136.07599	0.5
136.11256	0.4
138.09128	0.3
144.06551	0.8
145.06311	0.2
145.10103	0.4
147.04340	0.5
150.09103	0.2
150.12784	0.3
152.14339	0.4
155.04303	0.5
164.14345	0.3
165.09157	0.4
166.08640	0.8
166.15915	0.4
172.06091	0.5
176.14380	0.3
178.15921	1.9
180.17485	0.4
192.17480	0.5
194.19153	0.4
204.17526	0.3
206.19066	0.5
208.20657	0.7
210.07617	0.4
221.20229	0.5
223.21700	2.9
224.20108	0.4
235.21848	0.3
236.20155	0.5
238.21660	5.6
247.21832	0.4
248.23831	0.4
249.19666	0.8
249.23340	0.4
250.21700	0.5
251.21234	0.5
253.22836	1.4
258.22202	0.4
259.21744	0.5
261.23242	1.0
263.21277	0.3
266.21222	0.9
273.23264	1.4
276.23260	2.3
277.22812	1.8
279.20728	5.1
289.22800	1.1
291.24179	0.4
292.08026	0.3
294.24277	1.4
301.22717	0.3
303.24313	0.4
319.23874	1.0
327.26471	1.0
337.24860	23.5
338.25085	0.5
355.25879	0.4
365.19727	0.4
365.24374	12.9
383.25421	100.0
384.20898	0.5
384.26010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03932	7.8
55.01862	9.3
55.05509	29.6
56.96558	9.5
57.01382	2.8
57.03429	14.4
57.13033	3.4
57.52468	3.3
67.05507	75.5
69.03430	8.6
69.07078	24.3
69.64858	15.8
69.65269	6.1
71.04984	9.8
74.20416	3.4
77.54877	3.1
79.05490	65.6
81.03410	7.9
81.07060	77.9
83.01353	4.1
83.04992	16.0
83.08624	14.8
85.02895	6.7
85.06539	3.9
91.05481	60.5
93.07048	54.6
95.04969	16.3
95.08612	33.0
97.06551	6.1
97.10191	9.6
98.20837	5.5
98.97553	3.9
105.07028	49.4
107.04972	14.0
107.08603	39.3
109.02868	4.5
109.06535	17.2
109.10164	48.0
111.08073	7.6
113.02386	3.4
117.07008	13.6
119.08580	22.6
121.06504	13.5
121.10146	15.3
123.08102	9.5
125.09672	6.2
129.07005	9.0
131.08560	24.2
133.06485	15.3
133.10115	48.4
135.08102	17.9
135.11693	11.5
137.06047	8.3
137.09610	5.0
139.07497	6.5
143.08563	7.9
145.10146	16.7
147.04431	7.3
147.08063	8.7
147.11688	13.0
147.77853	3.4
148.68542	3.3
149.09633	22.2
151.11180	25.8
157.10068	7.7
159.08064	9.5
159.11714	4.0
161.09642	17.1
161.13322	5.2
163.11220	4.0
169.12245	6.2
171.11678	6.1
173.09604	4.9
175.11186	7.1
177.09094	13.0
185.13345	5.9
189.12650	4.8
193.12274	4.8
195.10083	8.1
213.09647	3.6
213.12698	4.3
223.13397	6.3
227.17863	4.1
245.19025	14.2
253.14388	13.3
255.17459	5.2
263.20114	14.4
269.13980	8.2
271.15393	10.8
273.18475	50.4
277.18127	4.6
289.82709	3.3
291.19534	69.3
309.20511	7.9
327.26382	4.0
337.24817	7.9
341.04349	3.4
342.08749	6.4
347.22293	7.8
365.23276	100.0
383.11346	5.8
383.25253	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01877	7.4
55.05513	36.8
57.03444	13.0
67.05502	46.0
69.03428	8.5
69.07072	25.5
71.04990	5.9
71.16053	2.0
71.57338	2.5
79.05492	28.9
81.03423	10.2
81.07056	42.3
83.04984	8.6
83.08620	18.1
85.02899	5.7
91.05479	23.9
93.07038	26.3
95.04980	13.9
95.08613	15.7
97.02907	7.1
97.06523	4.8
97.10172	23.0
105.07005	19.6
107.04967	11.0
107.08569	12.5
109.06513	4.4
109.10152	19.6
111.04442	4.4
111.08050	4.4
117.07013	9.6
119.08595	22.8
121.06495	4.4
121.10137	9.5
121.21290	2.3
123.08086	10.9
123.11741	2.9
125.09620	22.5
129.07001	8.0
131.08510	12.9
133.06535	4.5
133.10138	8.5
135.08072	8.6
135.11658	3.1
137.09590	4.6
143.08585	5.8
145.10114	5.0
147.04454	2.8
147.08060	10.8
147.11697	5.6
149.09595	4.1
153.12785	2.5
155.10716	2.3
157.10127	4.6
159.11644	3.7
161.09662	3.0
163.11200	4.2
165.09108	3.7
173.11792	2.6
175.11194	5.7
180.89653	2.4
189.11250	14.5
193.12225	7.3
205.12186	3.2
211.13281	5.7
223.13312	16.6
227.12819	7.0
238.21632	2.4
245.13846	3.9
255.17511	4.3
258.05225	2.5
273.18457	21.6
291.19531	100.0
297.88391	2.2
337.24945	6.3
347.22263	4.1
365.23264	64.3
383.11298	8.1
383.25018	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	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
52.86025	3.0
53.03931	8.2
53.05057	3.0
55.01857	13.9
55.05511	44.0
56.96545	8.2
57.03440	16.9
58.87707	2.6
59.04979	4.9
61.02912	9.0
63.06656	2.8
65.03951	5.1
67.05503	81.6
69.03416	11.4
69.07069	33.2
71.04973	6.1
73.02921	4.7
79.05495	59.7
81.03401	10.6
81.06577	5.5
81.07056	90.3
83.04971	18.3
83.08638	21.4
84.08157	4.0
85.02880	10.4
85.06543	5.5
91.05479	54.5
93.07050	55.3
95.04977	20.4
95.08115	3.5
95.08616	30.6
97.02882	11.2
97.06527	8.9
97.10178	21.3
98.97572	3.4
99.08059	3.8
105.07025	45.2
107.04961	21.6
107.08596	41.6
109.06509	14.3
109.10155	41.3
111.04443	5.4
111.08077	6.3
117.07040	14.5
119.04908	4.3
119.08611	28.9
121.06497	11.8
121.10143	19.9
123.08035	18.7
123.11725	8.2
125.09636	19.9
128.06221	4.2
129.06995	8.0
130.49846	3.1
131.08585	22.9
133.06490	13.3
133.10141	38.8
133.94788	3.1
135.08090	16.5
135.11693	7.9
137.09610	9.6
143.08548	6.8
145.10162	15.7
147.08014	14.6
147.11664	10.0
149.01225	4.0
149.09586	16.3
151.11147	18.1
156.03648	4.5
157.10196	5.2
159.08040	7.7
159.11646	7.3
161.09607	13.6
161.13248	4.6
163.11166	8.4
165.09145	3.9
169.12257	7.1
171.11661	8.7
175.11212	11.0
177.09140	8.1
181.12289	3.4
185.13478	3.1
189.11153	10.1
189.12706	6.8
191.10585	3.7
193.12158	7.5
205.12215	5.0
217.12215	5.5
223.13245	9.7
227.12778	8.8
227.17842	4.4
228.99371	4.1
244.09593	9.0
245.13931	3.7
245.19048	9.6
252.09343	5.6
253.14299	7.7
255.17502	6.2
257.03989	3.0
263.19952	8.8
271.15402	7.5
273.18494	47.7
279.87674	3.4
285.16644	3.3
291.19537	97.7
293.13257	4.6
293.63232	4.0
309.20578	9.5
337.24799	3.9
341.76321	3.3
347.22162	7.7
365.23328	100.0
383.11276	11.5
383.24957	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01871	9.6
55.02631	2.0
55.05511	39.0
56.96574	3.4
57.03439	19.4
59.05008	2.3
59.77168	1.9
61.02917	5.4
65.03957	3.6
67.05173	3.7
67.05508	58.7
69.03420	11.1
69.07066	30.2
69.53653	15.3
71.05002	6.4
79.05499	45.4
81.03418	11.9
81.07059	55.0
83.04980	9.0
83.08612	14.9
85.02903	4.4
85.06542	9.2
91.03953	3.6
91.05481	36.6
93.07056	34.7
95.04961	20.3
95.08604	26.7
97.02888	7.9
97.06548	10.9
97.10172	16.5
98.20746	3.7
98.97568	3.7
99.04539	2.2
105.07039	29.6
105.11051	2.2
107.04974	15.0
107.08609	28.1
109.02831	2.5
109.06519	18.5
109.10149	30.6
111.04484	5.9
111.08094	7.0
113.06008	12.1
115.05463	2.2
116.06345	2.3
117.07031	15.2
119.04981	3.5
119.08556	21.7
121.06488	11.4
121.10141	16.1
123.04400	3.0
123.08073	14.0
123.11681	4.1
125.09612	10.7
128.06157	3.1
129.07013	7.9
130.07803	2.6
131.08525	16.7
133.06505	7.5
133.10141	26.2
135.08069	12.3
135.11674	9.3
137.05949	2.7
137.09662	7.7
143.08574	7.5
145.06580	3.1
145.10103	11.7
147.04315	3.4
147.08032	12.4
147.11624	5.5
149.09602	8.9
151.11206	9.6
154.46204	2.1
157.10136	7.9
159.08051	7.2
159.11713	6.1
161.09627	10.1
163.11165	6.8
165.09111	4.8
169.10124	2.6
171.11702	5.2
173.09578	3.0
173.11769	4.8
173.13266	3.5
175.11238	7.5
177.09082	3.5
177.12804	3.9
183.07997	3.2
185.13272	4.1
189.11208	10.9
189.12715	5.3
193.12238	4.3
195.08162	3.1
195.38045	2.3
203.14465	2.8
217.09158	3.0
221.04399	2.5
223.13290	9.5
227.12694	2.7
227.17993	5.5
231.10597	2.6
245.19110	4.0
253.14415	6.7
255.17467	4.2
263.20096	2.9
269.10947	2.7
271.15427	9.1
273.18497	42.4
277.10715	6.6
291.19550	100.0
292.12579	5.3
302.86417	2.4
315.12244	3.2
328.26279	2.3
333.13419	17.6
337.24841	7.2
347.22354	3.7
351.14853	2.4
365.23279	83.8
383.11215	4.8
383.25226	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.8
55.05509	20.3
57.03446	42.3
61.02916	7.1
62.76286	2.8
65.03947	3.6
67.05173	5.4
67.05507	65.6
69.03416	9.4
69.07066	20.0
69.24739	28.7
71.04990	4.0
75.02565	2.8
79.05494	37.3
81.03441	4.8
81.06636	4.8
81.07063	48.9
83.08607	6.9
85.02898	6.5
85.06134	3.2
85.06548	31.6
91.03954	4.9
91.05480	38.0
93.07045	34.8
95.04972	70.9
95.08598	19.8
97.02891	7.5
97.06523	5.6
97.10166	2.9
98.21497	6.6
98.97585	2.9
99.00864	3.4
105.07024	26.2
107.04960	13.4
107.08600	18.1
109.06528	73.3
109.10150	27.6
111.08043	6.6
113.06016	100.0
115.02367	3.3
117.07031	15.6
119.04916	3.6
119.08568	16.8
121.06538	5.9
121.10155	7.4
122.25996	2.9
123.08028	5.4
123.11743	4.5
125.09667	2.8
128.06224	3.9
129.07007	8.4
131.08563	18.9
133.06485	3.8
133.10146	20.1
135.08057	42.9
135.11688	8.0
137.09538	3.1
137.67874	2.9
143.08554	9.9
145.10115	16.0
147.08014	5.7
147.11700	7.3
149.09595	8.6
151.11160	6.2
157.10141	8.7
159.11708	3.7
161.09612	15.1
163.11174	3.9
171.11751	5.7
175.11174	4.1
177.09122	5.7
177.12790	5.3
195.09875	3.8
195.11586	4.0
199.14847	5.3
201.12653	3.0
216.09125	9.1
216.59241	11.0
217.09393	5.6
217.15855	12.8
217.99879	3.1
245.19041	6.2
255.17549	4.3
263.20300	3.1
273.18497	41.8
291.19583	87.5
310.98477	3.5
337.24933	6.0
347.21994	9.2
365.23312	37.3
370.16446	3.2
383.11334	4.0
383.25266	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03946	2.8
55.01877	7.4
55.05513	36.8
57.03444	13.0
67.05502	46.0
69.03428	8.5
69.07072	25.5
71.04990	5.9
71.16053	2.0
71.57338	2.5
79.05492	28.9
81.03423	10.2
81.07056	42.3
83.04984	8.6
83.08620	18.1
85.02899	5.7
91.05479	23.9
93.07038	26.3
95.04980	13.9
95.08613	15.7
97.02907	7.1
97.06523	4.8
97.10172	23.0
105.07005	19.6
107.04967	11.0
107.08569	12.5
109.06513	4.4
109.10152	19.6
111.04442	4.4
111.08050	4.4
117.07013	9.6
119.08595	22.8
121.06495	4.4
121.10137	9.5
121.21290	2.3
123.08086	10.9
123.11741	2.9
125.09620	22.5
129.07001	8.0
131.08510	12.9
133.06535	4.5
133.10138	8.5
135.08072	8.6
135.11658	3.1
137.09590	4.6
143.08585	5.8
145.10114	5.0
147.04454	2.8
147.08060	10.8
147.11697	5.6
149.09595	4.1
153.12785	2.5
155.10716	2.3
157.10127	4.6
159.11644	3.7
161.09662	3.0
163.11200	4.2
165.09108	3.7
173.11792	2.6
175.11194	5.7
180.89653	2.4
189.11250	14.5
193.12225	7.3
205.12186	3.2
211.13281	5.7
223.13312	16.6
227.12819	7.0
238.21632	2.4
245.13846	3.9
255.17511	4.3
258.05225	2.5
273.18457	21.6
291.19531	100.0
297.88391	2.2
337.24945	6.3
347.22263	4.1
365.23264	64.3
383.11298	8.1
383.25018	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	383.2429
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03949	2.6
54.98517	1.1
55.01883	5.1
55.05510	21.4
57.03453	6.1
65.03957	1.8
67.05505	26.9
67.98826	1.4
69.03433	5.8
69.07063	15.6
69.62624	8.3
71.05012	2.8
71.10544	1.2
71.49256	1.4
72.02401	1.2
79.05493	25.8
81.03435	4.1
81.07062	26.0
83.04985	5.4
83.08630	10.1
85.06545	2.3
89.87616	1.4
90.57618	1.3
91.05479	18.6
93.07040	18.6
95.01375	1.5
95.04963	9.4
95.08613	11.2
97.02911	5.4
97.06546	4.4
97.10171	12.1
105.07029	14.3
107.04969	7.4
107.08588	15.4
109.06547	3.6
109.10168	16.1
111.04440	1.5
111.08105	3.6
111.23131	1.4
117.07016	7.7
119.08578	10.9
121.06531	3.1
121.10152	6.9
121.63969	1.2
122.25517	1.3
123.07286	1.3
123.08035	7.0
125.09655	8.9
129.07040	4.3
131.08595	6.9
133.06534	4.3
133.10126	11.9
135.08104	5.7
135.11722	3.6
137.09621	2.6
139.07625	1.4
143.08569	3.1
144.92247	1.6
145.10167	5.0
147.08061	6.8
147.11707	3.6
149.09648	5.1
151.11237	4.2
157.10168	2.9
159.08109	2.9
159.11731	3.9
161.09676	4.9
163.11189	2.3
165.09158	3.5
171.11771	2.4
175.11159	4.0
177.09164	2.8
181.10106	2.1
189.11240	5.8
189.12784	1.5
223.13266	12.2
227.12733	3.4
227.17761	2.1
245.19067	4.2
253.14365	2.7
263.20129	2.6
269.13779	3.0
271.15521	1.9
273.18488	16.6
285.17258	2.3
291.19550	100.0
292.20032	1.8
327.26315	1.7
337.24811	2.0
347.22198	2.5
365.23233	60.0
383.25107	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	383.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.4
55.01864	17.5
55.05494	12.4
56.05027	5.5
56.96566	6.9
57.03426	11.7
59.04984	5.8
61.02905	3.9
67.05511	29.9
68.99766	5.7
69.03085	5.0
69.03432	57.1
69.07065	12.0
70.06576	12.0
71.01361	5.7
71.04989	8.7
71.57121	7.1
72.08156	8.3
73.02905	6.6
79.05499	32.7
81.03422	22.4
81.07068	49.5
83.04984	14.7
84.08138	9.9
85.02903	36.5
86.09721	10.3
87.00814	13.9
91.05482	37.8
93.07050	97.5
95.04947	17.7
95.08603	28.6
97.02883	27.2
97.06522	13.6
98.97575	12.8
99.04448	6.6
105.01855	9.6
105.07043	60.1
107.04969	8.7
107.08605	100.0
109.02876	7.4
109.06521	15.3
109.10133	10.5
110.09643	6.0
111.04438	18.0
111.08096	6.6
115.03900	5.2
115.05458	4.8
117.06995	15.3
119.04964	11.8
119.08588	28.9
120.08079	7.4
121.06506	17.7
121.10181	29.9
123.04422	7.0
123.08049	11.1
123.11725	6.5
125.05946	5.1
127.03902	12.4
129.06981	9.7
131.00212	8.8
131.08572	22.3
132.17352	4.0
133.06499	6.0
133.10130	35.2
135.08060	7.9
135.11693	51.6
136.59483	4.2
137.05980	8.0
137.13240	4.8
141.06633	5.7
142.07866	4.3
143.08531	9.7
145.10115	31.9
146.12462	5.2
147.04375	8.9
147.08037	10.5
147.11710	33.3
149.06047	7.4
149.09654	8.2
149.13220	8.2
149.63588	4.7
151.07481	4.2
153.06999	5.1
154.72821	3.8
157.10136	10.4
158.99648	4.8
159.02898	5.0
159.08105	10.1
159.11699	18.6
161.09550	5.6
163.11191	53.0
165.12798	26.1
167.06990	6.4
169.10143	5.6
170.57645	4.9
171.11655	6.3
173.09634	9.4
175.11211	16.2
177.12834	10.7
185.09601	4.9
187.11243	7.0
189.12697	8.5
192.91075	4.8
193.12270	11.5
200.94781	4.3
201.12715	10.2
203.10667	6.0
205.12352	6.9
207.13918	6.3
215.14297	13.3
219.13857	7.2
231.13741	4.7
233.15477	4.7
237.02905	5.9
243.13863	42.2
261.14880	63.3
279.15878	13.2
291.10132	4.9
302.13828	5.6
321.16953	9.6
328.32596	4.1
337.24802	8.7
347.14835	22.0
351.12369	5.6
365.16129	34.9
365.24167	11.1
383.16641	38.6
383.20850	21.9
383.25430	63.5
409.44885	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	383.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
59.04970	1.2
60.04520	2.1
69.03416	1.2
69.56008	7.1
70.06594	15.5
70.23034	1.0
72.08157	6.1
74.35377	1.2
75.42751	1.1
79.05503	1.7
79.09917	0.9
81.03403	1.8
83.05007	1.1
83.06135	1.2
84.08141	4.9
85.02927	1.9
86.09714	3.3
91.05473	4.6
92.05830	1.1
93.56775	1.1
97.02885	1.3
97.06535	1.9
97.31889	1.0
98.97591	1.3
110.07175	3.0
110.47199	1.1
115.30414	1.0
116.07086	2.1
119.04965	6.3
120.08100	2.4
127.03940	1.6
129.10201	1.1
136.06226	1.0
136.07571	1.8
137.04605	1.8
141.10258	2.2
147.03374	1.5
147.04434	18.0
148.04747	2.3
164.06992	1.6
168.36876	1.2
169.09706	1.8
173.77081	0.9
185.11768	1.5
186.12083	1.9
189.05313	1.4
192.27994	1.1
203.14339	4.5
217.60252	0.9
221.07732	1.4
224.13885	1.2
268.16559	1.8
293.04288	1.2
313.26141	1.1
383.13162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
54.03926	2.4
55.01878	12.0
55.05498	8.6
57.03428	7.5
61.02925	4.1
67.05504	14.6
68.99784	9.1
69.03431	57.2
69.07055	6.4
69.92132	5.0
69.92545	10.1
70.06567	4.1
71.04987	6.5
73.02898	2.4
78.14277	2.5
79.05501	22.5
81.03416	30.0
81.07062	38.0
83.04969	11.2
83.08611	3.4
84.08128	2.3
85.02901	40.6
85.06047	2.4
86.09684	3.8
87.00829	24.3
91.05486	34.5
93.07041	96.2
95.04961	16.8
95.08610	34.1
97.02900	28.3
97.06516	10.3
98.20734	2.9
99.04433	7.5
103.03911	6.1
105.01871	6.3
105.07034	66.4
107.04966	7.0
107.07867	5.6
107.08595	100.0
107.94730	2.6
109.02911	13.5
109.06497	12.8
109.10138	11.6
111.04436	11.3
113.02402	3.4
115.03938	9.1
117.01859	2.7
117.07009	8.2
119.08578	32.2
120.08148	3.5
121.06528	13.2
121.10139	24.8
123.04427	10.2
123.08067	8.6
123.11699	6.3
125.05995	5.3
127.03926	16.3
128.06209	3.6
129.01808	4.6
129.06990	8.3
131.04863	2.4
131.08545	17.7
133.06520	7.2
133.10146	29.8
135.08057	7.2
135.11696	56.0
137.05936	4.3
137.09616	4.7
142.07788	4.0
143.08566	10.0
144.09370	3.6
145.04872	2.9
145.06528	5.5
145.10126	23.1
147.02893	4.9
147.04520	2.4
147.08069	6.0
147.11687	26.7
149.09610	8.1
149.13225	6.2
151.07538	3.9
151.11179	3.8
155.08508	6.2
156.09277	4.3
157.10091	12.7
159.02867	5.5
159.08057	5.3
159.11740	16.6
161.09630	7.7
161.13222	5.1
163.07516	5.1
163.11185	35.9
165.12756	33.0
171.11705	7.7
173.09625	8.0
173.13301	4.8
175.07509	3.5
175.11194	12.2
177.12776	14.9
181.10251	2.4
183.11604	3.7
185.09618	6.6
187.11171	3.7
187.14751	2.9
189.03914	6.2
189.12711	7.7
191.10721	4.3
193.12204	18.1
197.13326	8.5
199.11166	4.2
201.03891	5.7
201.12729	7.6
203.10780	3.5
205.12267	7.1
207.13786	4.5
213.12732	2.9
215.14322	10.3
219.13608	5.7
221.86116	2.5
225.12805	7.7
231.13878	3.4
233.15259	5.3
243.13811	32.0
261.14871	79.8
279.15851	13.3
321.17020	5.8
325.25598	2.3
329.13882	3.0
347.14935	29.4
365.15924	32.9
383.16992	32.3
383.25226	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	6.3
70.29395	0.3
71.95264	1.8
75.28585	0.3
98.97588	100.0
99.97916	0.3
116.98628	46.1
134.99667	12.2
135.00511	0.2
140.00217	1.2
149.51781	0.2
153.00760	0.9
158.01256	0.5
174.97675	0.4
178.00775	0.3
181.97426	0.3
192.98773	0.4
198.97813	0.3
207.01367	0.5
216.98666	1.8
217.98943	0.3
219.02060	0.4
233.96768	0.5
234.99879	2.1
235.99957	0.6
240.14125	0.3
240.98630	6.2
256.96686	0.4
257.96841	0.5
258.99786	70.5
259.99991	1.7
261.00339	0.4
261.02975	1.3
274.97598	0.3
275.97910	0.5
277.00839	73.1
278.01068	2.0
279.01178	0.7
282.01382	1.5
283.00021	2.8
284.00034	0.3
284.99918	1.0
295.02014	0.4
298.97778	0.9
299.97800	1.1
300.02435	2.0
301.01035	2.6
303.00891	1.2
316.98923	0.7
317.98880	1.4
341.98856	1.2
359.00192	1.1
360.00082	2.2
378.17825	0.7
382.96500	0.3
383.00076	3.4
392.97055	0.3
401.01172	10.4
402.01254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.14322	0.6
55.05519	4.4
56.96579	1.4
57.07066	1.5
59.05006	6.3
59.18579	0.7
59.83640	0.7
64.34235	0.6
67.05514	4.3
68.05038	2.2
69.07064	7.8
70.06592	12.7
71.56815	1.1
79.05500	6.8
81.07063	8.9
83.08624	2.7
88.44964	0.8
91.05480	9.2
93.07046	8.4
94.06592	1.8
95.04983	1.0
95.08609	8.6
96.08138	2.2
97.10153	1.6
98.06061	1.6
100.07628	4.3
105.04542	0.9
105.07034	17.7
107.08590	7.0
108.08127	1.6
109.10164	2.8
114.05523	3.8
115.11288	1.0
116.07090	6.6
117.07017	2.0
119.08585	14.6
120.08115	4.0
121.10150	6.4
122.09696	2.5
123.01331	0.8
123.11723	2.2
128.07085	6.6
129.07007	1.8
131.08569	5.6
133.09050	1.2
133.10124	8.2
135.08057	0.9
135.11732	1.5
136.11198	1.1
141.06976	1.3
142.07808	0.9
143.08606	4.5
144.09369	1.7
145.10126	8.6
147.11694	2.7
148.11209	7.4
154.08694	1.3
155.08580	1.2
156.09290	1.6
157.10124	5.3
159.11641	4.2
160.11292	1.2
164.07074	0.9
168.10214	18.6
169.10300	1.6
171.11702	4.1
173.13263	2.1
173.15459	1.2
175.14819	3.0
177.16374	1.9
178.08633	5.7
178.57121	0.8
183.11731	1.7
185.13274	4.1
187.14876	2.0
189.16451	2.3
192.10225	3.5
194.11771	13.5
197.13293	3.0
199.14882	1.9
206.11913	1.4
211.14862	2.6
224.08026	0.9
225.16309	0.9
229.07457	0.8
230.11687	0.9
237.16428	2.3
241.19377	0.9
247.08646	1.0
267.21179	2.1
290.21140	5.1
352.23392	0.8
382.27496	100.0
383.27811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01875	3.1
55.05514	15.3
55.22065	1.6
56.05014	1.6
56.96553	3.5
57.03430	5.6
58.06602	30.2
60.04528	42.3
67.05505	21.8
68.05038	18.0
68.58260	1.7
69.03423	3.8
69.07070	26.8
70.06596	3.2
71.04990	5.0
71.08656	1.8
71.21983	1.6
71.57670	2.2
72.08182	8.3
76.45547	1.8
79.05492	21.9
80.05034	2.2
81.03410	5.1
81.07055	25.9
82.06565	8.3
83.04961	3.2
83.08616	2.6
84.08134	6.5
85.06561	2.8
86.09699	24.4
88.07635	4.2
91.05474	16.2
93.07043	20.5
94.06577	2.1
95.04967	6.0
95.08612	12.7
96.08133	100.0
97.06537	30.3
97.08890	6.6
97.10147	3.9
98.09667	3.8
99.08083	2.6
100.07638	10.9
105.07049	10.7
107.04950	5.8
107.08611	11.8
108.08113	3.8
109.06504	4.9
109.10152	7.5
110.09687	3.4
111.08066	5.8
112.07597	7.6
114.09165	28.0
115.07538	3.1
117.07011	4.2
119.07156	1.6
119.08581	9.6
121.06490	5.9
121.10125	8.3
123.08057	2.6
123.11695	4.0
125.09579	2.5
126.94905	1.8
128.10735	10.4
129.06999	4.0
131.00114	2.1
131.08586	11.9
133.10118	7.3
135.08043	7.6
135.11670	4.2
137.09570	4.1
138.09157	12.1
143.08556	2.9
145.06476	2.6
145.10109	6.9
147.08023	5.6
147.10461	1.7
147.11679	3.3
149.09637	4.3
149.13261	2.6
151.11171	1.7
151.60109	1.8
156.10205	80.5
157.10071	3.1
159.11652	4.0
161.09555	2.3
163.11118	4.0
170.11810	2.7
171.11678	2.6
177.12737	3.9
185.13190	2.0
189.12660	2.4
194.15402	3.2
205.22142	2.1
227.18024	1.9
237.28909	1.8
255.17455	3.6
272.20087	2.3
273.18494	38.3
278.21384	2.0
290.21185	4.1
291.19669	4.3
304.22586	8.7
305.21133	18.8
322.23804	13.2
332.22324	2.7
350.23160	2.4
364.24905	11.4
382.25940	53.2
383.11136	3.0
383.25314	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	382.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01873	2.4
55.05513	12.5
56.96576	1.2
57.03436	3.8
57.31584	0.9
58.06599	3.3
58.50986	0.9
60.04525	18.1
60.83879	0.9
67.05507	15.2
69.03438	3.8
69.07075	11.2
70.05006	3.0
70.06609	2.0
71.04997	5.7
72.08130	1.0
79.05498	14.2
79.87247	1.2
80.05046	2.0
81.03427	1.5
81.06594	1.4
81.07058	20.2
83.04985	2.5
83.08629	6.3
84.08146	5.6
85.06554	2.7
86.09708	20.9
88.07610	1.4
91.05481	7.7
93.07040	11.5
94.06563	1.9
95.04997	3.7
95.08616	8.5
96.08144	2.0
97.06543	4.9
97.10166	9.7
97.10685	0.9
99.08025	1.0
100.07646	1.4
105.07021	7.4
107.04982	2.0
107.08592	10.5
108.08138	1.8
109.06516	6.9
109.10169	2.3
110.06055	2.5
110.09634	1.3
111.04417	1.2
111.08096	1.6
112.07604	16.9
113.06042	1.8
117.07039	3.5
119.08595	6.6
121.06502	2.2
121.10139	8.4
122.09650	5.4
123.08073	3.3
123.11722	1.4
124.93587	1.0
125.09637	11.6
126.09160	1.5
128.10716	17.5
128.11642	1.1
129.07011	1.7
130.08670	1.8
131.08598	4.4
132.08081	2.0
133.10156	2.9
134.09682	0.9
135.08102	3.5
135.11714	3.1
137.05989	5.8
138.12823	3.1
143.08623	1.7
145.10158	4.3
146.09720	1.2
147.11717	3.6
148.11270	2.1
149.09612	1.1
149.13280	2.7
150.79291	1.0
153.09117	2.2
154.08614	6.5
154.12251	1.4
156.10219	1.6
157.10162	2.5
159.08014	1.0
159.11725	3.0
159.19633	1.0
161.09622	2.1
163.11165	1.2
165.12784	2.2
171.11700	1.0
177.12764	3.0
180.13878	6.1
182.15431	2.4
187.11241	1.7
203.12807	6.5
206.67799	0.9
208.13377	3.1
220.17036	1.1
223.13313	1.6
224.12947	1.3
224.16544	3.0
231.17299	1.3
237.14867	1.2
256.19257	1.7
272.20197	1.9
273.18527	4.4
277.18079	5.2
290.21115	1.7
291.19620	1.9
295.19098	1.0
304.22693	8.2
305.21045	6.2
322.23691	10.9
322.26578	1.0
346.24683	1.0
364.24817	20.7
382.25912	100.0
383.25336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	16.3
55.05509	26.2
56.05038	11.1
56.96557	14.0
57.03440	11.5
60.04526	32.9
61.02921	9.3
67.05473	12.9
68.05016	6.6
69.03439	42.3
69.56866	4.5
69.57198	42.3
70.06598	41.2
71.05001	16.0
72.08165	33.4
73.02916	9.7
74.06088	9.6
79.05494	11.7
81.03417	23.4
81.07071	44.9
83.04967	7.4
83.08610	9.4
84.04512	20.6
84.08149	29.4
85.02901	100.0
86.06109	5.9
86.09715	35.8
87.00836	45.5
91.05481	19.2
93.07050	12.9
94.06580	7.9
95.05001	7.0
95.08585	6.1
97.02896	76.4
97.06544	14.0
98.21465	12.9
98.97583	20.4
99.04452	14.3
99.08086	35.6
105.01870	59.0
107.08603	14.8
109.02884	23.2
109.06567	7.8
110.07188	35.8
115.03947	13.9
116.07183	7.2
116.98577	7.0
117.09130	8.7
119.04964	20.4
120.08103	17.2
125.09679	13.1
127.03922	68.0
129.10236	11.6
132.06610	11.7
132.57387	5.8
136.06161	27.3
136.07564	41.0
139.11201	15.1
143.00128	5.8
145.04956	59.4
147.04428	38.5
148.04739	7.4
149.09506	7.9
158.99681	7.5
159.02884	9.1
161.04488	11.3
165.18594	5.9
167.10706	18.4
173.12776	8.9
185.11763	41.0
192.10219	10.9
203.12859	29.4
223.15573	7.1
230.06468	7.6
231.02896	6.3
231.05066	25.5
237.12376	10.1
249.06209	8.0
304.33374	6.1
364.22559	12.0
364.26413	12.5
378.46338	7.1
382.27591	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01878	11.0
55.05496	25.3
56.05039	13.3
56.96558	14.6
57.03434	13.5
60.04530	34.7
61.02926	13.5
61.31352	5.9
67.05499	13.6
69.03432	46.9
69.07071	6.3
70.06601	54.0
71.04984	15.5
71.06931	6.7
71.56464	6.6
71.56837	6.0
72.08186	29.8
73.02907	15.0
74.06082	14.8
79.05495	22.8
80.42238	5.3
81.03426	31.5
81.07069	59.0
83.05001	6.7
83.08612	23.1
84.04512	11.1
84.08144	37.4
85.02425	9.7
85.02908	100.0
86.09706	28.9
87.00837	45.8
87.04456	6.1
91.05467	27.1
93.07026	16.4
95.04974	7.8
97.02897	87.7
97.06509	15.8
98.97617	13.0
99.04459	20.0
99.08104	30.7
102.05578	6.4
105.01878	81.9
105.06995	7.2
107.04955	7.5
107.08612	11.5
109.02872	19.8
109.06514	5.6
110.07144	34.5
113.06067	8.2
115.03893	8.4
117.91460	5.6
119.04949	19.1
119.08625	9.9
120.05252	7.6
120.08109	12.0
121.10194	7.7
125.09653	16.2
127.03921	83.8
129.10233	14.5
132.06508	8.5
136.06168	16.6
136.07610	38.0
139.11185	10.0
145.04971	58.7
146.53947	5.9
147.04411	30.8
148.04744	11.4
156.03575	6.0
156.07628	8.8
158.99744	8.1
161.04468	7.7
162.05386	9.6
167.07057	9.4
167.10660	12.0
185.11726	47.3
192.10161	9.3
203.12743	23.0
219.05035	6.7
219.13347	8.0
231.04964	31.2
237.12402	13.2
249.06123	9.1
265.11868	9.6
346.24963	7.9
364.23001	28.9
364.26654	12.2
382.27692	92.5
383.13229	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	381.2426
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
55.05513	1.1
57.07075	1.4
67.05503	2.2
69.03407	1.1
69.07075	25.1
70.07406	0.8
71.57406	1.0
79.05476	2.3
81.07059	3.5
83.01332	1.6
85.84264	0.9
87.97809	0.9
91.05489	3.2
93.07026	1.9
95.04993	0.9
95.08607	2.2
97.06535	0.8
105.07042	4.0
106.97012	0.8
107.04974	2.3
107.08614	1.3
109.06563	4.8
117.07050	1.1
119.08597	3.4
121.06514	12.4
123.04437	1.4
125.06053	0.9
126.36839	0.9
131.04955	1.4
131.08575	3.0
133.06494	5.6
133.10146	1.2
135.04427	2.9
135.08011	0.8
135.11629	1.2
137.05986	42.8
139.07518	1.4
145.06520	2.0
145.10089	3.1
146.07278	0.9
147.04419	1.5
147.08051	6.2
149.05994	2.5
149.09665	1.6
151.07558	1.2
155.08580	1.3
157.10139	1.9
158.07333	1.6
159.08041	3.8
160.08838	1.5
161.09647	2.9
163.07550	2.8
165.09134	6.9
171.11754	1.0
173.09631	13.7
175.11191	30.9
189.09091	2.4
189.12749	2.2
191.10722	3.7
201.12770	8.1
257.11786	4.6
269.11835	1.8
283.13159	1.0
313.17975	1.7
325.17999	100.0
326.18311	1.1
331.22849	1.0
353.20844	0.9
381.24011	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2381
Annotation	CHEBI:78135
Peak:m/z	Relative Intensity
54.59027	0.5
56.05032	1.3
56.96523	0.9
57.33294	0.7
60.04260	0.7
60.04528	11.1
67.05484	1.1
68.05009	0.8
69.62955	3.9
70.06594	6.8
71.04981	0.7
72.04505	1.8
79.05477	2.1
80.04980	1.1
80.44460	0.7
81.07052	1.3
82.06571	1.5
83.07346	0.6
84.04480	1.5
84.08114	1.3
85.02878	1.1
90.05536	2.1
91.05473	2.3
93.05767	0.8
93.07043	1.0
94.06559	0.9
94.34089	0.6
96.08112	2.8
97.44656	0.7
98.06039	0.8
98.20788	0.8
105.07027	1.5
106.06521	1.4
107.08583	0.6
108.08091	1.6
110.06066	0.7
110.09660	0.8
112.07602	0.7
114.05527	1.0
117.06992	0.9
119.04917	2.1
119.08588	0.9
120.08112	4.9
121.08856	1.9
122.05972	0.9
129.06934	0.8
131.08595	1.5
132.06563	11.8
132.08043	0.9
133.08842	1.4
134.09662	7.5
136.07578	4.9
136.11220	6.5
137.05963	1.8
138.06294	1.0
143.08578	0.9
145.10081	1.4
146.09645	3.0
147.04387	3.8
147.10501	1.2
148.11180	5.5
149.12012	11.9
150.12753	2.5
158.09676	0.7
160.11226	18.5
161.11900	0.9
162.12785	12.1
170.09468	0.9
171.11627	0.9
172.09647	4.0
172.11206	2.8
173.11984	1.8
174.12744	3.8
175.13461	1.0
176.14284	0.9
184.06850	0.9
184.11206	0.7
186.12747	2.3
188.14319	2.2
190.15884	2.9
196.09595	1.0
196.11304	0.9
198.12724	1.4
200.14331	1.1
202.15813	3.3
206.15347	0.8
210.12746	0.8
212.14386	1.0
214.10719	0.8
214.15849	1.1
224.14264	0.9
226.15872	1.4
232.16939	3.2
244.17047	3.2
250.15874	2.8
255.18544	1.0
262.17996	3.6
268.16943	7.2
273.19666	1.3
285.19574	0.8
286.18045	8.9
303.20514	1.3
304.19153	1.4
309.19568	0.8
315.20752	1.3
321.21735	8.6
327.20486	2.9
345.21594	5.7
363.22748	72.5
364.22958	1.0
381.23734	100.0
382.23938	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	381.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	6.4
53.17902	5.5
55.05514	12.0
56.96565	20.7
57.03426	18.8
61.43967	7.1
67.05515	42.2
69.03423	6.5
69.07066	25.2
70.68273	18.4
71.05003	7.8
73.02925	6.6
79.05502	27.8
81.03424	9.9
81.07061	47.2
83.04956	12.8
83.08612	10.5
85.02888	6.9
85.06564	7.0
91.05483	24.2
93.07048	45.5
95.04984	9.4
95.08610	17.6
97.06560	8.9
98.97614	8.4
105.07034	10.9
107.08591	26.8
109.10167	7.9
109.43092	5.9
111.08089	6.7
113.00013	21.0
114.50698	5.6
116.81372	5.4
119.08599	12.3
121.10149	18.9
131.00136	6.1
131.08588	7.6
131.21730	7.7
135.11705	7.1
143.05382	6.3
145.88582	5.8
149.01195	9.3
149.13264	17.9
158.99648	6.7
159.11708	10.1
164.63394	6.3
169.02623	10.2
171.06718	10.1
177.12651	11.1
180.07304	7.6
195.13823	7.5
224.08116	18.4
224.22458	6.1
224.58223	7.7
243.09090	12.6
252.09367	19.5
257.10757	6.5
267.09039	15.3
269.10681	6.7
269.17490	75.5
285.10059	12.0
300.14056	16.2
331.11438	6.0
344.32816	6.9
381.19424	39.3
381.24323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48717	1.1
53.03944	2.4
55.01866	2.7
55.05519	7.2
56.49701	1.2
56.96572	11.1
57.03442	5.2
61.02906	1.8
64.30404	1.3
66.23728	1.4
67.05509	10.7
69.03414	3.0
69.07066	3.8
70.06587	8.5
70.56969	1.8
70.57304	2.8
71.04987	3.2
71.06931	1.4
79.05508	9.9
81.03413	4.3
81.07059	11.4
83.04997	7.4
83.08624	5.1
84.96062	1.7
85.02925	3.1
85.06524	1.7
91.05501	9.6
93.07058	9.7
95.04974	4.3
95.08604	6.4
97.02885	2.6
97.06524	3.2
97.08907	1.3
97.10173	4.6
98.97579	2.9
105.07042	7.4
105.97314	1.3
107.04961	2.0
107.08595	6.3
109.06522	6.3
109.10170	9.5
110.97555	1.4
111.04483	2.7
111.08131	1.5
115.00673	1.5
116.98592	1.5
117.07050	1.3
117.99355	1.1
119.04860	1.3
119.08568	5.3
121.06522	6.7
121.10161	4.8
123.04462	1.4
123.08091	3.5
125.09636	3.4
129.07027	2.2
131.00188	2.4
131.08557	3.2
133.06523	1.7
133.10146	5.5
135.08052	4.4
135.11728	1.9
137.09654	2.4
145.10178	2.5
147.08047	1.7
149.01263	3.0
149.09625	1.5
151.11250	1.8
153.09166	1.6
157.10167	1.6
159.08031	2.2
159.11745	2.0
161.09647	2.7
173.09550	1.4
173.13194	1.4
177.09215	1.7
191.06795	1.6
191.10619	1.5
199.06438	5.8
213.08150	1.5
217.07533	3.4
223.06610	1.8
229.07538	2.1
233.15602	1.6
241.07484	8.0
243.08887	1.6
253.07486	1.7
255.09027	2.4
257.06979	2.4
259.08545	12.8
261.18515	2.6
265.07358	3.1
267.09024	1.8
271.08484	1.7
271.16824	2.4
273.10410	1.9
277.09851	2.8
282.09985	1.7
283.08340	2.5
289.17993	11.5
300.12106	1.9
307.19080	3.0
325.17880	1.9
331.19302	1.5
345.13678	3.6
347.14255	2.4
363.14755	12.7
363.21790	5.6
381.16660	33.8
381.22797	100.0
382.24005	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33316	2.3
52.16580	2.1
60.65603	2.2
69.46376	15.6
69.46773	4.4
77.49100	2.6
127.45563	2.3
201.01598	4.0
381.07965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58619	1.2
53.03934	3.6
55.01860	2.4
55.05517	5.9
56.05006	1.1
56.68468	1.0
56.96554	2.4
57.03423	2.9
59.04965	1.1
65.03928	3.7
67.05229	1.1
67.05510	12.5
69.03432	14.9
69.07060	3.4
70.06573	2.3
71.05001	9.6
71.56990	1.3
79.05504	10.3
81.03419	2.0
81.07072	12.6
83.04995	11.6
83.08621	1.4
84.08102	3.1
85.02896	5.6
85.06564	1.2
86.09690	1.7
87.00829	1.3
91.05486	21.1
93.03407	2.7
93.07052	21.5
95.04975	20.2
95.08620	7.4
97.02882	3.8
97.06507	4.1
98.97566	3.0
99.04459	21.3
103.05447	2.7
105.07040	100.0
106.07333	1.2
107.04961	3.2
107.08598	14.9
108.28693	1.2
109.06515	4.9
109.10125	3.9
110.07144	1.8
110.09657	1.8
111.04444	10.5
111.08069	2.5
115.05486	1.7
116.98628	1.2
117.07030	5.2
119.04952	6.7
119.08587	17.4
121.02875	2.9
121.06531	7.6
121.10196	2.0
123.08049	4.8
123.11707	2.2
125.09634	1.5
128.06248	5.8
129.05460	3.6
129.06972	1.4
130.07736	1.6
131.08556	4.7
133.06525	12.0
133.10141	89.1
135.11673	4.0
137.05959	3.8
137.09642	1.4
139.03903	4.7
143.00134	1.2
143.08563	11.2
145.10147	12.8
146.07242	3.7
147.04408	2.0
147.08049	4.4
149.09644	1.2
151.07539	10.2
151.11159	2.8
153.01834	1.7
153.75804	1.1
157.05006	1.1
159.11671	2.5
161.09628	94.3
162.09953	1.5
163.11198	48.3
165.09088	1.4
171.08049	4.0
179.10677	27.5
189.09119	52.0
194.97166	1.1
201.16409	1.4
207.10188	26.7
225.07584	1.6
225.11235	11.4
243.08640	1.9
255.08707	3.8
259.09708	3.4
273.09662	2.8
289.17953	2.7
301.22687	1.0
307.15402	1.2
323.05542	2.2
335.14853	9.6
353.24503	2.1
363.14401	14.5
381.09744	8.8
381.15372	25.1
381.23773	41.2
382.15546	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	380.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01856	1.2
55.05510	2.6
56.05029	1.5
57.03436	0.6
57.07066	0.7
58.06590	0.4
60.04529	17.0
67.05511	4.4
68.05019	1.6
69.03417	1.3
69.07058	1.7
70.06577	1.7
71.04995	7.6
71.14804	0.4
71.15121	0.6
72.04505	1.5
72.08162	2.0
74.06065	0.4
79.05488	3.4
80.05020	5.4
81.03423	0.9
81.07061	5.6
82.06564	1.7
83.04965	0.7
83.08630	0.5
84.04496	1.1
84.08131	1.2
84.63130	0.4
85.02888	0.7
85.06528	0.6
86.06074	2.5
86.09676	0.5
90.05560	2.3
91.05494	2.7
92.05003	1.1
93.07040	3.1
94.06587	3.2
96.04484	1.4
96.08139	1.2
97.06534	3.1
98.06059	1.7
100.07627	0.7
105.07021	1.8
106.06541	1.8
107.08585	1.4
108.08112	0.9
109.10149	1.4
110.06031	2.2
110.09668	0.8
111.08048	0.6
114.05515	1.4
117.07014	0.4
119.08582	1.1
120.08106	1.7
121.10143	1.2
122.06047	1.2
123.08057	0.5
131.08638	0.7
132.06570	14.5
133.10150	1.2
134.09660	0.7
135.11707	0.4
145.10132	1.0
147.04417	0.6
157.10045	0.4
190.15910	1.0
206.15334	0.8
211.16971	1.2
218.15524	0.5
222.18602	0.6
224.20151	1.3
232.17000	0.7
234.18527	1.2
238.21700	0.5
244.16954	0.5
244.20520	0.5
248.20108	1.5
249.44833	0.4
250.21667	0.6
252.19644	1.1
260.20102	5.8
262.21713	1.7
266.21158	3.8
268.22723	0.8
272.20016	2.4
278.21143	2.4
280.22781	0.5
290.21158	5.3
296.22235	1.0
298.55402	0.4
302.23172	0.7
308.22354	3.0
326.23309	4.8
334.84756	0.4
344.24362	3.4
362.25348	14.0
380.26419	100.0
381.26880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55316	0.6
55.01872	1.0
55.05499	1.8
56.05038	1.7
57.03450	1.2
60.04530	18.7
67.05514	5.0
68.05022	1.9
69.03445	1.4
69.07068	2.5
70.06590	2.4
71.04991	8.3
71.14658	0.8
72.04527	2.0
72.08129	0.7
79.05496	3.4
80.05025	3.8
81.03423	1.2
81.07067	3.9
82.06577	1.9
83.04996	0.7
83.08601	0.7
84.04510	1.7
84.08134	1.0
85.02883	0.8
85.06563	0.8
86.06052	1.6
87.04446	0.6
88.54347	0.6
90.05567	2.1
91.05486	2.3
92.05005	1.2
93.07050	3.0
94.06580	4.1
95.08623	4.4
96.04499	1.2
97.06552	3.8
98.06077	1.5
102.05521	0.7
105.07048	1.8
106.06535	1.7
107.08619	2.0
108.08120	0.7
109.06510	0.7
109.10160	1.1
110.06057	2.6
110.09673	0.7
111.08081	1.3
114.05544	1.7
117.07019	1.0
119.04992	1.2
119.08591	1.3
120.08106	2.1
121.10162	1.3
122.06065	1.2
122.09698	0.9
124.07660	1.0
131.08595	1.1
132.06581	14.3
133.10136	1.2
134.09689	0.7
135.11751	0.7
136.07553	1.1
147.04436	2.5
148.04752	0.7
148.11278	0.6
162.81673	0.6
177.27071	0.6
189.43387	0.5
190.15932	0.9
211.16977	1.0
220.16896	0.8
224.20070	1.1
234.18532	0.6
238.21693	1.2
246.04207	0.6
248.20210	1.8
250.21701	1.0
252.19412	0.7
260.20090	7.1
262.21732	1.9
266.21240	3.8
272.20282	2.7
278.21246	1.7
280.22656	0.7
290.21268	4.0
308.22192	2.9
326.23221	4.9
344.24124	4.6
362.25342	11.5
380.26431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2431
Annotation	Ro 09-1543
Peak:m/z	Relative Intensity
55.01865	4.0
55.05510	9.1
58.06600	18.2
60.04507	7.1
67.05513	10.3
69.03426	3.4
69.07054	6.5
70.06570	3.9
71.04996	3.2
72.08150	3.9
74.79665	1.6
79.05502	13.4
80.05001	2.3
81.03421	3.1
81.07059	17.4
83.04986	2.6
83.08598	7.0
84.07699	2.3
84.08149	32.1
85.02897	2.3
85.42344	1.6
86.09685	2.8
86.85020	1.6
90.65507	1.8
91.05480	10.6
93.07023	6.8
93.27690	1.4
95.08617	6.1
97.02864	3.4
97.06510	2.8
97.10153	5.2
98.09727	1.6
100.07639	7.8
105.07037	8.8
107.04945	7.7
107.08607	8.2
109.02868	4.3
109.06531	2.9
109.10136	3.3
110.77666	1.5
111.08102	2.6
112.07622	9.6
113.02361	3.4
117.07016	3.5
117.85299	1.8
119.08574	7.1
121.06503	55.2
121.07373	2.7
121.10135	2.0
123.04437	2.1
125.09637	6.2
131.08537	3.2
133.10139	10.5
135.08034	5.1
135.11617	2.0
136.11224	3.4
137.09753	1.7
143.08540	3.7
145.10196	2.2
147.08017	2.2
147.11678	2.4
151.11147	2.8
156.03590	1.6
157.09999	2.2
159.08044	3.6
159.11652	2.0
161.09610	5.6
163.07504	3.0
169.10190	1.8
179.10652	1.7
189.12729	2.1
198.09171	1.6
203.12773	5.4
219.13759	2.0
243.17416	2.8
271.16916	4.9
288.19513	4.8
289.18008	18.6
296.10818	1.7
303.19507	3.5
314.39362	1.8
320.22186	5.8
321.20615	6.9
338.23492	2.1
355.33276	1.8
359.16660	5.8
362.23181	4.6
362.27115	3.2
376.09424	2.0
380.24335	100.0
381.23926	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	380.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01868	5.2
55.05521	10.3
56.96577	1.8
58.06604	21.0
59.05004	1.7
59.31713	1.7
60.04537	10.3
67.05527	11.8
69.03432	3.6
69.07061	5.0
70.06580	3.5
71.04985	3.6
72.08163	3.9
79.05499	13.6
81.03421	3.8
81.07066	16.9
83.04980	4.1
83.08615	7.0
84.08152	41.0
85.02884	3.8
85.06545	2.7
86.09696	3.4
91.05514	12.2
93.07060	10.8
95.04971	4.9
95.08601	6.2
95.77052	2.1
96.04592	1.6
96.08094	2.5
97.02908	3.8
97.10168	4.2
100.07600	6.3
105.07034	8.1
107.04945	8.1
107.08627	9.6
109.02879	5.2
109.06498	3.1
109.10148	3.2
111.08101	1.7
112.07644	12.5
113.02378	3.4
117.06998	2.9
119.04922	1.8
119.08593	7.5
121.06519	54.9
121.10135	4.9
123.08058	2.8
125.09634	6.9
126.09162	2.7
129.07031	2.1
131.08582	3.1
133.10191	8.7
134.09651	2.7
135.08051	7.3
135.11673	1.7
136.11234	3.6
137.09579	2.5
138.09151	3.6
143.08575	3.9
145.10135	4.3
147.11693	2.2
151.11115	1.9
157.10184	1.8
159.08073	5.5
161.09633	6.2
162.09187	2.8
163.07628	4.2
179.10722	3.7
191.22601	1.6
203.12793	3.3
219.13795	2.8
225.11256	1.9
261.18469	2.3
271.17004	5.5
288.19598	6.3
289.17975	17.5
303.19635	4.8
320.22159	8.3
321.20624	7.8
338.23340	3.0
338.96707	2.7
355.74698	1.9
362.23175	3.9
362.27148	4.2
380.24393	100.0
381.24274	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	379.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.8
57.53126	0.6
66.77293	0.7
67.05509	0.9
71.56487	0.6
71.56848	0.8
79.05505	0.8
79.39160	1.0
81.07061	1.3
93.07074	0.9
95.08589	0.8
95.42942	0.6
105.07075	0.8
109.93247	0.7
119.08580	1.2
126.45358	0.9
203.19702	0.9
260.32028	0.7
277.14151	1.8
333.16669	1.3
338.44394	0.7
349.23248	1.1
379.24612	100.0
380.24872	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	379.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26847	0.4
50.88968	0.4
69.07053	0.5
69.96684	0.8
69.97073	1.1
74.58269	0.4
88.19453	0.4
102.82518	0.4
112.35571	0.4
145.47466	0.4
155.89563	0.4
168.27899	0.4
204.31702	0.4
205.08354	1.1
207.41568	0.4
209.11559	0.8
275.44830	0.4
277.14157	1.0
309.16766	0.6
317.00156	0.5
349.16684	0.5
379.24573	100.0
380.25009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.33318	3.5
55.05520	22.0
57.07076	10.8
67.05501	24.8
69.07077	25.0
71.08645	5.6
71.57725	5.1
71.58089	4.8
79.05492	18.0
81.07060	41.0
83.04982	6.9
83.08620	8.8
84.92092	3.7
85.06550	12.2
91.05489	13.7
91.86068	3.6
93.07040	22.0
95.08601	35.3
97.06534	14.7
97.10174	4.7
99.08093	6.9
105.07053	14.9
107.08594	32.1
109.06509	14.2
109.10166	6.4
111.04440	36.6
111.08106	6.7
118.66725	3.9
119.08583	12.2
121.10143	11.4
123.08065	12.2
123.11684	7.3
125.06002	17.3
131.08614	5.9
133.10123	7.4
135.08116	26.6
135.11714	16.3
137.06000	9.6
143.55650	4.7
145.10130	13.3
147.11714	5.4
149.09627	6.2
153.12724	6.3
155.51064	3.6
163.11267	6.0
165.12802	8.2
177.12773	5.5
179.14343	5.1
181.12257	16.6
195.13882	5.5
221.19069	6.2
229.67221	5.0
235.20654	5.2
251.83759	3.8
305.24777	90.2
319.26276	21.8
329.24899	6.8
347.25839	100.0
351.29187	28.7
361.27478	12.9
379.28845	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23895	0.8
56.96538	0.9
60.04528	1.6
67.05493	0.9
67.10534	0.8
67.84634	0.9
70.06580	2.8
70.71231	2.1
79.63562	0.8
82.24964	0.9
84.04489	1.3
86.09718	1.6
91.05497	6.3
93.07034	1.5
95.08599	1.5
98.97590	1.8
102.63705	0.9
105.07014	1.1
107.08607	1.3
110.09658	0.9
119.01949	1.0
119.14907	1.0
132.06575	1.4
204.95384	0.9
227.05273	1.5
271.04346	2.0
293.09924	3.2
311.09900	1.4
335.11032	24.5
343.23163	1.9
361.23883	2.0
371.13757	0.9
379.09995	100.0
379.25256	4.6
379.29568	1.6
380.10400	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	379.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	7.8
60.27741	4.4
62.76427	4.5
67.05502	9.1
70.67961	9.3
70.68305	6.2
79.05472	4.9
81.07054	10.5
89.43235	5.3
91.05466	5.6
93.07062	6.1
95.08613	9.4
97.41985	4.3
100.17298	5.0
107.08605	8.0
109.10179	8.7
279.61365	4.9
283.12268	5.2
298.23566	4.7
379.18967	100.0
379.25568	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	378.2485
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
50.32085	0.6
53.14336	0.6
53.82103	0.7
55.01878	0.8
55.05498	2.1
56.05021	1.6
57.03422	1.6
60.04528	26.0
60.35981	0.7
61.02897	0.8
67.05509	5.7
68.00181	0.7
68.05020	3.2
69.03419	3.3
69.07050	1.0
69.53087	5.7
70.06580	2.8
71.04984	2.8
72.04521	3.7
72.08157	0.8
73.02928	1.3
79.05482	3.6
80.05019	6.5
81.03410	0.9
81.07058	6.7
82.06585	1.7
82.98795	0.8
83.04988	1.2
83.08641	0.7
83.24165	0.7
84.04484	2.1
85.02906	1.8
86.06062	1.4
90.05550	2.8
91.05476	2.8
93.07053	3.9
94.06574	4.8
95.04982	1.4
95.08616	6.4
96.04504	1.2
96.08097	1.0
97.06538	1.8
98.06049	2.6
99.04449	1.4
102.05540	1.0
105.07036	2.1
106.06559	1.8
107.07352	0.7
107.08590	2.9
108.04541	0.8
109.10156	1.1
110.06044	3.5
111.08089	1.7
114.05525	1.9
118.06569	0.9
119.08604	2.2
120.08106	2.3
121.10145	1.1
122.06020	1.8
123.08138	0.8
124.07574	0.9
131.08572	1.8
132.06570	17.4
132.08066	1.3
133.10132	1.7
134.09734	1.0
135.11685	0.9
136.07587	1.9
145.10146	1.1
158.08142	0.9
158.18146	0.7
161.13242	0.9
172.08725	3.3
173.09052	3.8
173.13298	0.9
198.06590	1.4
199.06908	1.0
201.08583	0.8
216.07684	1.1
217.07954	1.3
221.27263	0.9
222.18497	0.9
242.19048	0.8
243.08768	4.8
244.09142	9.8
246.18529	1.3
246.89653	0.8
248.20018	1.4
258.18524	4.9
260.20111	2.4
264.19540	1.7
270.18457	2.3
276.19577	5.3
278.21005	0.8
282.20605	3.8
288.19598	7.5
294.20694	1.8
300.21597	1.1
306.20636	5.9
324.21567	5.7
342.22772	11.1
360.23825	25.4
378.14871	25.5
378.24872	100.0
379.25439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2487
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
52.33966	0.8
55.01867	2.3
55.05501	1.8
55.05758	0.7
56.05027	2.5
57.03436	1.3
60.04531	23.2
62.00813	0.7
67.05493	5.0
68.05020	2.9
69.03427	3.2
69.07064	1.5
69.47498	0.8
70.06588	2.1
71.04994	6.7
71.07764	1.8
72.04507	3.6
72.26072	0.8
79.05502	6.1
80.05025	6.9
81.03404	2.8
81.07051	5.3
82.06586	2.6
82.26240	0.7
83.04982	1.7
85.02937	1.0
86.06083	5.0
86.06516	0.9
87.04477	1.8
91.05479	4.8
92.04997	1.1
93.05765	1.0
93.07060	4.2
94.06580	4.7
95.04969	1.0
95.08610	3.3
96.04501	2.2
96.08106	1.3
97.06523	8.8
98.06064	1.7
105.07034	1.7
106.06564	2.2
107.08598	1.9
108.08107	2.0
109.10137	2.1
110.06036	3.8
111.08092	1.9
112.07610	1.1
114.05527	2.2
117.07028	1.0
119.08601	2.1
120.08115	1.9
121.10159	1.4
122.06031	1.7
124.07561	1.8
128.77527	0.7
131.08588	2.0
132.06566	20.5
133.10088	1.4
134.09605	1.0
136.07591	1.0
137.09660	1.2
145.10176	1.0
148.11220	1.3
150.73679	0.8
162.12822	1.2
164.44565	0.7
192.13980	1.0
206.15424	1.0
208.17030	0.8
218.15424	0.8
222.18558	2.2
234.14891	0.9
236.20027	0.9
240.19585	1.9
246.18614	2.4
250.18080	1.1
254.29271	0.8
258.18582	8.8
260.20135	2.4
264.19650	2.2
270.18552	1.5
276.19635	7.4
278.21011	1.6
282.20685	6.9
288.19623	7.2
294.20889	1.1
306.20670	5.3
324.21677	7.9
342.22729	21.0
360.23819	74.2
361.24039	1.3
378.24878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.42740	0.9
54.67942	0.9
55.01886	4.6
55.05518	4.7
56.05032	2.4
56.48966	0.8
57.03442	1.1
60.04528	33.0
63.10229	0.9
64.68475	1.0
67.05502	8.3
68.05026	3.6
69.03418	4.4
69.07071	1.1
70.06572	1.5
70.14444	2.9
71.05000	8.1
72.04508	3.5
79.05499	8.4
80.05023	6.7
81.03415	1.4
81.07051	7.3
82.06561	3.5
83.04971	1.8
84.04500	2.0
85.02889	1.6
85.06560	1.4
86.06065	3.7
87.04446	2.3
90.05561	3.5
91.05497	7.4
93.07052	7.7
94.06573	6.7
95.04965	1.9
95.08591	5.2
96.04489	3.5
96.08160	1.9
97.06540	18.5
98.06054	4.0
100.07641	1.0
102.05544	1.1
105.07018	6.2
106.06528	3.6
107.08578	3.8
108.08080	1.1
109.05305	1.1
109.06467	1.9
109.10161	2.2
110.06046	4.8
111.08087	5.3
112.07639	1.8
114.05524	2.8
117.07016	2.4
118.06563	2.3
119.08586	4.7
120.08088	2.7
121.10176	2.1
122.06017	1.8
123.08053	2.0
124.07554	1.8
128.07074	1.0
130.04977	1.3
131.08578	4.6
132.06580	19.8
132.08095	2.2
133.10121	1.7
134.09662	1.7
135.11694	1.2
136.07599	2.5
137.09637	2.6
140.07053	2.1
142.08626	2.1
145.10136	3.6
147.11699	2.1
150.09099	1.9
158.08147	4.7
159.11713	1.4
160.11247	1.2
162.09149	1.8
172.11133	1.0
173.13284	2.3
173.48291	0.9
191.14351	1.0
205.15993	1.2
209.15520	1.5
222.18581	2.1
250.18024	1.4
258.18640	5.0
260.20041	1.0
264.19531	1.6
268.19138	1.0
270.18588	2.5
276.19608	4.0
282.20639	1.2
288.19507	5.4
294.20605	1.2
306.20544	6.6
324.21725	11.7
333.70963	1.1
337.87903	1.0
342.22739	54.9
360.23792	65.3
378.24854	100.0
379.25153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2486
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
52.89594	1.0
53.03941	1.6
55.01879	5.9
55.05515	2.1
56.05029	2.7
60.04529	35.4
62.46740	1.0
67.05500	7.4
68.05022	3.0
69.03431	6.2
69.07085	1.2
69.61794	2.3
69.62205	5.7
70.06575	2.5
71.04989	12.2
72.04500	3.4
79.05500	10.3
80.05025	5.7
81.07066	7.8
82.06578	3.6
84.04499	2.4
86.06058	3.1
87.04456	3.8
90.05560	4.1
91.05476	7.4
93.05820	1.2
93.07052	6.6
94.06548	5.5
95.04984	2.2
95.08620	6.3
96.04492	4.8
96.08100	1.5
97.06537	28.7
98.06036	3.5
100.07599	1.1
105.07025	4.5
106.06541	3.2
107.08595	3.8
108.08135	2.0
109.10193	2.4
110.06052	5.2
111.08044	2.0
112.07605	1.3
113.47859	0.9
114.05535	2.5
116.07117	1.3
117.07055	3.0
118.06570	1.2
119.08569	4.5
120.08103	4.1
121.06530	1.0
121.10172	2.3
122.06025	2.9
123.08070	2.5
124.07562	1.5
126.05587	1.0
131.08580	4.6
132.06566	18.8
132.08113	1.7
133.10141	2.7
134.09639	2.2
135.11684	1.8
136.07567	2.2
137.09570	2.3
140.07079	2.1
143.08572	1.5
145.10118	3.8
147.11671	2.2
148.07544	1.1
154.08578	1.0
155.40343	1.0
158.08142	4.5
161.13266	1.4
173.13297	3.0
174.12804	1.3
191.14343	1.3
232.16792	1.1
250.18065	1.8
258.18512	6.6
264.19653	1.5
268.19104	2.0
270.18521	2.8
276.19586	3.5
282.20581	1.2
288.19693	8.0
299.66602	1.2
306.20645	8.2
324.21655	10.9
342.22754	54.6
353.90967	1.1
360.23816	64.2
378.24869	100.0
395.42114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10606	0.2
55.05507	1.1
57.03437	0.4
65.45262	0.2
67.05508	1.3
69.03432	0.3
69.07062	0.5
69.99297	0.4
69.99677	0.5
70.06601	0.3
71.04986	0.2
79.05502	1.3
81.03423	5.7
81.07064	1.4
83.04973	0.6
83.08618	2.3
85.02908	0.4
91.05485	1.5
93.07040	0.9
95.04981	2.1
95.08590	0.6
97.06514	0.3
98.71927	0.2
102.13633	0.2
105.07041	1.3
107.04922	0.3
107.08598	0.3
109.06501	0.3
111.04421	0.3
111.08089	0.8
111.69354	0.2
119.03571	1.5
119.04915	0.2
119.08595	0.9
121.10155	0.4
129.06992	0.9
131.08557	0.8
133.06508	0.5
133.10133	0.7
136.06190	100.0
137.04596	1.0
137.06555	0.3
140.71184	0.2
142.07816	0.4
143.01869	0.3
147.08017	0.3
147.11671	0.6
149.09630	0.3
157.10104	1.0
174.07761	0.6
175.11223	1.2
193.12250	4.4
194.89700	0.2
225.14824	1.5
342.22864	0.3
360.20319	2.0
360.24255	0.3
378.21408	15.2
378.26016	0.8
392.27151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2487
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
51.45647	0.7
52.52029	0.7
53.03926	1.5
55.01877	7.0
55.05503	2.5
56.05042	1.5
57.03426	1.1
60.04530	41.9
67.05509	10.6
68.05031	4.7
69.03422	5.0
69.07050	1.4
69.47246	2.9
69.47675	2.5
70.02946	1.4
70.06589	0.9
71.04646	1.4
71.04997	12.3
72.04504	3.0
74.06083	1.0
78.94742	0.8
79.05492	10.3
80.05025	5.5
80.05451	1.2
81.03403	2.5
81.07056	8.6
82.06572	2.8
83.04965	1.7
84.04488	3.3
84.08147	1.1
85.02918	1.9
85.06539	2.2
86.06067	2.8
87.04457	3.4
90.05551	3.2
91.05486	8.9
93.07050	8.4
94.06567	5.9
95.04968	2.2
95.08633	6.0
96.04526	5.2
96.08131	1.7
97.06533	23.2
98.06054	4.4
98.09663	1.0
100.07617	0.9
102.05495	1.1
105.07034	4.8
106.06572	3.9
107.08582	5.3
108.08115	1.2
109.06499	1.6
109.10151	2.5
110.06042	6.8
110.09734	0.9
111.08073	3.3
114.05541	3.1
117.07020	3.5
118.06547	1.6
119.08583	5.7
120.08142	4.1
121.06438	1.5
121.10123	2.8
122.06048	3.4
122.09659	1.6
123.08063	1.5
124.07578	2.3
129.07007	1.2
131.08577	3.9
132.06569	21.9
132.08121	2.0
133.10147	2.4
134.09624	2.0
135.11734	1.4
136.07579	3.4
137.09607	2.4
138.09151	1.0
140.07088	2.6
142.08644	1.4
145.10147	3.7
146.09656	1.4
147.11662	2.7
150.09138	1.2
154.08621	1.7
157.10115	1.1
158.08131	3.7
161.02963	2.2
161.13280	2.8
162.09210	0.9
162.12801	1.6
164.10765	1.2
166.08572	1.2
172.09674	0.9
173.13286	2.7
174.12711	1.0
184.09718	1.2
191.14313	1.6
198.06267	1.4
198.11295	0.8
203.04034	1.1
204.13759	1.3
207.05238	0.9
209.15395	1.0
222.18510	1.3
245.05095	1.3
246.18587	1.3
250.17996	1.6
258.18564	5.3
260.20071	1.6
263.06204	1.7
264.19571	1.9
268.19119	1.1
270.18500	2.2
276.19720	6.4
278.21204	1.2
288.19611	7.1
292.58243	0.8
306.20615	9.4
306.46512	0.8
324.21655	12.7
338.26160	0.8
342.22760	60.7
360.23807	71.6
361.24380	1.0
378.24878	100.0
379.25220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	0.6
71.57847	0.7
72.08138	1.1
77.69016	0.6
81.07059	1.3
83.08656	0.7
91.05486	0.7
95.04967	0.8
95.08560	0.7
105.07029	1.2
119.08578	0.9
131.08521	0.6
197.57727	0.6
223.13043	1.2
232.55536	0.6
255.54590	0.6
259.67447	0.6
295.15369	0.7
377.22995	100.0
378.23331	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82343	0.8
55.05499	1.4
56.96552	3.4
67.05524	1.3
69.59171	0.8
70.81481	0.8
71.57368	1.4
75.45245	0.7
76.16544	0.7
81.07067	1.1
83.04968	1.9
91.05493	1.0
93.07053	0.8
93.92599	0.8
94.48605	0.8
95.08598	1.6
105.07036	1.5
119.08565	1.6
121.10176	1.0
133.10117	1.0
149.04836	1.2
197.01193	1.6
207.02548	0.9
215.02290	0.8
233.15732	0.9
241.00208	0.8
253.07397	1.9
271.08755	0.9
279.05518	1.2
297.06458	3.0
345.20523	1.0
377.22986	100.0
378.23358	2.5
385.06308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.8
57.01990	3.6
57.07078	11.2
57.53965	3.8
64.67102	3.7
67.51305	4.9
70.06611	19.3
70.62553	6.2
70.62933	7.5
71.08640	9.0
72.10992	3.9
81.07082	5.2
85.10178	6.2
89.06020	9.6
93.07039	4.9
95.08619	5.6
109.77417	3.8
116.07104	17.4
117.07452	5.3
153.30359	3.7
162.07207	3.7
195.12285	8.6
216.45601	4.2
377.21259	10.2
377.26657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.54576	0.4
56.96520	0.4
58.95213	0.4
69.53309	3.3
70.41344	0.5
77.88043	0.4
79.05488	0.6
81.07040	0.8
90.17139	0.6
92.15878	0.5
93.07034	0.5
130.68631	0.4
146.00160	0.4
263.12473	0.6
288.92093	0.5
336.20950	0.6
354.21445	1.4
359.22864	0.6
377.22998	100.0
378.23401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2484
Annotation	Spiramine W
Peak:m/z	Relative Intensity
53.03913	0.2
53.66333	0.2
55.05489	0.7
67.05511	0.4
69.07059	0.3
79.05467	0.6
81.07057	0.7
87.04472	15.2
91.05450	0.5
93.07027	0.4
97.06526	0.3
98.20763	0.6
105.07007	0.2
106.06559	3.1
107.07318	0.3
117.05730	0.9
118.06545	4.5
119.07337	0.3
119.08532	0.2
120.08121	0.4
130.06528	0.7
131.07312	3.3
132.08089	2.2
133.08841	0.8
134.09673	1.1
136.11185	0.3
144.08099	0.4
145.08841	0.4
146.09656	4.7
148.11153	0.4
158.09618	0.4
158.56755	0.3
159.10475	0.3
160.11224	5.8
161.12019	0.4
162.12852	0.5
172.11230	1.0
173.11954	0.3
174.12755	1.0
176.14253	0.3
196.62723	0.3
218.11697	0.4
227.12694	0.4
232.13339	1.1
244.20625	5.4
272.20096	42.3
273.20538	0.6
273.59851	0.2
290.21140	11.3
294.62311	0.4
321.87540	0.3
358.23679	1.3
376.24838	100.0
377.25070	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	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03943	1.6
55.01854	0.5
57.03440	7.8
60.04519	1.9
61.02927	2.7
69.03429	14.0
69.26027	5.8
70.06590	1.1
71.01363	4.0
71.05001	4.7
72.08130	0.6
73.02919	1.9
75.04476	2.6
81.03418	5.0
81.06985	0.6
84.04507	0.7
84.08131	0.6
87.04440	0.8
98.97598	0.8
99.04482	4.2
117.05510	0.8
120.08121	0.9
130.06549	0.8
136.12213	0.7
136.80618	0.6
137.05956	1.6
145.07570	2.7
170.07156	1.2
172.08704	25.8
175.08684	0.7
190.09767	1.1
197.09624	0.6
197.11797	1.5
198.06587	5.9
200.08211	5.3
215.78476	0.6
216.07684	15.4
218.09288	0.8
229.08435	0.6
236.29312	0.6
243.08783	66.0
244.07216	0.8
323.20486	0.7
341.21381	1.2
359.13730	3.1
359.22531	5.4
377.14566	100.0
377.23669	3.4
378.14856	1.6
378.24759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2332
Annotation	Bacithrocin B1
Peak:m/z	Relative Intensity
55.01877	4.5
55.05514	2.0
56.05033	2.2
59.83743	0.8
60.04527	42.8
64.69776	0.9
67.05502	13.6
68.05036	1.9
69.03427	4.4
69.07065	1.1
69.77070	5.0
70.02952	1.0
71.04993	9.4
72.04523	4.4
73.02887	1.4
74.06062	1.1
79.05493	12.8
80.05017	4.0
81.03416	2.6
81.07052	8.4
82.06593	0.9
83.04969	3.2
84.04489	4.1
86.06060	1.5
87.04477	10.3
90.05561	6.7
91.05485	5.7
92.05003	1.3
93.07047	5.3
94.06588	4.7
95.04952	3.5
95.08601	3.7
96.04505	5.8
97.06541	6.8
98.06052	1.8
98.21425	1.9
104.62925	1.0
105.07018	4.4
105.86905	1.0
106.06556	13.4
107.04966	2.3
107.08588	3.8
108.08125	4.3
109.05260	1.0
109.06538	1.7
109.10136	4.5
110.06044	3.2
111.04498	1.3
111.08067	8.8
114.05545	2.0
115.05355	1.0
116.07056	1.5
116.96774	1.2
117.07029	2.9
118.06522	3.1
119.08590	4.3
120.08111	12.1
121.10122	2.5
122.06017	6.4
122.09658	1.7
123.08068	2.5
124.07594	4.6
129.07008	1.2
130.04996	1.6
131.08557	3.5
132.06566	13.9
132.08072	1.9
133.10135	3.4
134.09656	1.5
135.08170	1.3
135.11664	2.1
136.07576	16.8
137.09680	1.8
138.09148	2.3
143.08583	1.1
145.10036	2.2
148.07579	3.2
150.09129	4.3
153.09126	1.8
154.08632	5.8
159.11723	2.6
160.07683	1.2
161.13300	1.0
163.09978	1.2
163.11214	4.3
164.10637	1.0
166.08679	4.7
176.10687	1.7
178.08585	4.8
186.12814	1.2
189.12776	1.5
190.12256	1.4
196.09702	3.8
198.30249	1.1
200.14467	1.0
202.12202	1.3
256.16913	2.2
258.18658	1.7
262.18091	1.9
268.17050	1.6
270.16995	3.1
274.18015	8.0
276.19308	1.2
286.18039	9.6
292.19058	1.7
304.19064	13.4
322.20148	29.2
340.21201	71.2
341.21597	1.3
358.22241	100.0
359.22607	2.9
376.23309	67.6
377.23639	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.233
Annotation	Bacithrocin B1
Peak:m/z	Relative Intensity
55.01859	5.8
55.05507	2.8
55.51294	1.3
56.05033	2.8
59.70518	1.4
60.04530	61.9
67.05512	21.3
68.05019	3.2
69.03417	6.4
69.07056	2.9
69.56063	9.8
71.05006	11.1
72.04510	4.9
73.60760	1.4
74.42670	1.4
79.05499	17.4
80.05005	4.6
81.03408	4.2
81.07066	12.3
82.06578	2.0
83.04980	2.5
84.04496	2.9
85.02908	1.6
86.16096	1.3
87.04478	13.2
90.05551	8.9
91.05491	9.8
92.04998	4.2
93.07076	7.6
94.06573	7.1
95.04966	4.4
95.08613	4.4
96.04479	5.3
96.08150	2.0
97.06554	9.4
98.06019	1.9
105.07048	7.2
106.06558	21.0
107.04963	3.9
107.08601	7.7
108.08158	6.8
109.06534	2.1
109.10167	4.8
110.06044	3.5
111.04463	2.4
111.08066	6.1
114.05532	2.1
117.07032	4.3
118.06555	5.8
119.08593	3.7
120.08105	16.1
121.10127	3.1
122.06048	8.6
122.09690	3.0
123.08053	3.4
124.07609	3.7
129.07126	1.4
130.05003	2.9
131.08571	3.3
132.06593	17.1
132.08113	6.5
133.10143	3.2
134.09679	3.7
136.07596	22.2
137.09595	2.0
138.09154	2.1
143.19675	1.6
145.10095	2.7
147.11716	2.2
148.07599	5.9
150.09189	11.5
154.08676	7.3
157.10080	2.2
160.07574	1.7
160.11238	2.0
162.09201	2.0
163.11197	5.3
166.08644	7.6
171.11728	2.0
172.09685	2.0
173.13274	2.2
176.10741	2.0
178.08647	5.7
180.10307	2.1
189.12718	2.5
191.14420	1.6
196.09763	3.2
203.14250	1.6
229.12241	1.9
240.96486	1.4
256.16934	2.8
258.18600	1.8
262.17984	2.8
268.17105	3.4
270.16919	5.3
274.17944	9.3
286.18100	11.3
304.19110	18.8
322.20129	32.0
340.21216	78.4
341.21259	2.5
358.22256	88.5
359.22430	2.7
376.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2333
Annotation	Bacithrocin B1
Peak:m/z	Relative Intensity
55.01874	6.5
55.05500	3.1
60.04532	64.8
67.05511	17.7
67.28489	1.9
67.44021	1.9
68.05015	3.4
69.03419	4.4
70.02956	2.7
70.55030	1.6
70.70089	4.8
71.04993	12.2
72.04504	4.8
79.05501	13.0
80.05036	6.6
81.03428	2.4
81.07053	8.6
83.04988	4.3
83.79002	2.1
84.04476	4.7
85.02885	2.9
87.04488	14.4
90.05558	10.5
91.05481	6.9
93.07054	4.2
95.04949	5.0
95.08591	2.5
96.04487	5.8
97.06534	8.7
98.06066	2.1
102.05473	2.0
102.08018	2.0
105.07021	6.2
106.06574	16.6
107.08607	5.7
108.08130	4.8
109.06501	2.5
109.10159	5.6
110.06048	6.0
111.04423	2.8
111.08103	11.3
114.05508	2.0
117.07020	2.8
118.06535	4.4
119.08578	4.1
120.08125	14.3
121.10128	2.8
122.06018	8.4
122.09649	2.8
122.39230	2.0
123.08030	2.7
124.07565	5.8
129.06995	2.2
131.08597	4.9
132.06578	19.1
132.08098	4.3
133.10112	2.9
135.11703	2.2
136.07585	18.9
137.05983	2.3
137.09590	2.6
138.09126	2.2
142.08649	2.0
145.81648	2.2
148.07565	6.2
150.09117	8.1
153.09108	2.2
154.08606	4.2
155.21834	1.8
163.11143	5.0
166.08626	6.5
178.08624	4.7
183.50438	1.9
189.12775	2.0
203.14442	2.8
215.19966	2.0
241.98289	2.4
256.17029	2.6
262.17932	3.2
268.16922	2.7
270.17099	3.2
274.17957	11.0
286.18018	12.5
304.19162	16.1
322.20175	31.8
325.28366	2.1
340.21204	73.3
358.22256	77.0
359.22614	2.7
376.23322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.05515	96.9
57.03430	1.8
57.07077	4.5
63.94821	1.5
65.54163	1.6
67.05501	12.7
69.07067	8.2
69.10071	1.8
70.80868	3.6
79.05491	7.5
81.07068	18.1
83.04973	4.0
83.08144	3.1
83.08621	52.7
91.05495	8.5
93.07044	12.3
95.08616	10.7
97.06493	3.6
98.86827	1.5
105.07039	13.1
107.08588	8.0
109.06518	5.6
109.10145	5.4
117.07013	3.8
117.98283	1.6
118.50604	1.7
119.08614	7.8
121.06509	7.0
121.10153	5.6
123.08089	1.7
123.11712	1.9
129.06996	2.9
130.38847	1.6
131.08600	10.4
133.10126	10.7
135.08047	3.4
135.11714	2.7
145.10141	7.5
147.07985	2.6
147.11710	8.9
149.09645	2.6
151.11148	4.6
151.26253	1.7
157.10141	3.1
159.11638	2.5
161.09621	2.5
161.13222	2.8
163.11234	2.9
173.09688	3.0
173.13298	3.1
183.11719	1.9
187.11368	2.3
194.90875	1.7
201.12740	2.0
207.13844	2.0
219.13780	1.7
219.59483	1.6
239.18079	1.7
247.20692	2.3
257.19028	10.7
275.20068	100.0
283.26324	5.4
293.21143	33.8
375.28979	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	376.2328
Annotation	Bacithrocin B1
Peak:m/z	Relative Intensity
55.01863	2.7
55.05497	1.3
56.05027	1.8
57.03431	1.2
59.26015	0.7
60.04527	26.7
62.73398	0.7
67.05508	4.0
68.05020	3.1
69.03419	1.3
69.07065	1.2
70.06585	1.9
70.14474	1.5
70.14883	2.7
71.04982	2.6
72.04513	3.0
75.37980	0.7
78.10384	0.8
79.05494	4.3
80.05014	5.9
81.03417	2.8
81.07050	3.5
82.06580	3.1
83.04996	1.4
83.08591	1.2
83.17845	0.8
84.04508	5.7
85.02887	1.0
86.06064	1.8
87.04459	1.6
90.05540	2.7
91.05465	4.1
92.03806	0.7
93.07039	4.2
95.04971	1.0
95.08608	2.6
96.04484	2.2
96.08135	2.1
97.06513	4.3
98.06035	2.4
98.21439	1.0
102.05524	1.4
105.07018	2.6
106.06538	2.5
107.08569	1.7
108.08096	1.5
109.10210	1.1
110.06068	4.2
111.08110	2.1
112.07581	0.7
113.05999	1.6
114.05544	2.4
115.03976	0.7
115.66628	0.8
118.06573	1.4
119.08596	2.4
120.08093	2.8
121.10108	1.2
122.06009	1.1
123.07995	0.9
124.07591	1.5
125.05993	2.0
130.04984	3.8
131.05310	0.9
131.08583	2.0
132.06567	19.0
133.10133	1.9
135.08025	1.2
135.11687	0.7
136.07547	1.8
147.07655	2.7
147.11653	0.9
148.06042	3.9
171.11694	0.8
188.09206	0.9
193.12231	1.6
194.70296	0.8
204.13773	1.1
211.13251	4.5
220.17010	1.4
225.14955	0.9
233.27370	0.7
234.18532	1.9
238.18015	3.5
243.08859	1.9
244.17014	1.2
248.20227	0.8
250.14392	1.7
250.18015	1.2
252.19525	1.3
258.18610	1.5
262.18076	4.9
264.19534	2.0
274.17926	6.4
276.19418	3.9
280.19119	3.1
286.18237	3.8
292.19095	6.5
298.20044	5.1
304.19080	10.5
310.20328	0.9
322.20151	6.5
340.21216	9.7
358.22223	28.6
376.23303	100.0
377.14505	2.0
377.23761	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.4
55.05510	14.5
61.02936	3.4
65.03938	4.9
67.05211	3.7
67.05513	34.1
69.03434	4.2
69.07072	15.6
71.43105	5.5
79.05499	36.4
81.03448	3.3
81.07062	52.5
83.08634	3.5
91.05490	54.8
93.07056	73.8
95.04977	32.2
95.08620	44.5
97.02862	5.6
97.06548	10.4
103.05502	4.4
105.07040	100.0
107.08597	40.3
109.06560	9.2
109.10157	24.6
115.05448	6.1
117.07001	19.9
119.08593	83.2
121.06519	12.3
121.09312	5.9
121.10153	67.2
123.08060	3.3
123.11707	7.3
128.06209	5.1
129.07010	13.0
130.07790	5.3
131.08578	51.0
133.10139	43.4
135.11694	13.3
141.06972	5.3
142.07785	18.0
142.50388	3.1
143.08595	27.5
144.09341	9.7
145.06485	4.8
145.10133	63.0
147.11716	17.3
155.08533	9.3
156.09351	10.0
157.10153	40.3
158.10907	3.7
159.08090	4.2
159.11681	27.3
161.09633	8.2
161.13237	4.1
163.11147	3.9
165.07039	4.5
167.08607	7.5
168.09422	5.0
169.10165	18.4
170.10960	3.6
171.11710	15.1
173.09781	3.2
173.13283	14.3
175.11256	5.1
175.14835	8.6
179.08638	3.4
181.10112	9.2
182.10992	3.8
183.11728	12.7
185.13240	9.0
187.14841	16.5
193.10172	3.9
195.11684	7.5
197.13237	6.7
199.14873	7.9
201.16455	5.0
205.10162	5.5
207.11636	4.9
209.13307	9.3
211.14821	6.5
215.01711	3.5
235.14851	3.8
253.19424	4.2
319.20657	3.9
353.26715	3.7
375.27020	30.2
385.99344	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	375.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
55.05516	3.6
60.04523	2.2
67.05508	28.5
69.03430	3.7
69.07080	2.7
69.92027	5.2
70.06586	2.3
70.08140	1.3
74.06051	1.5
79.05498	3.0
81.07056	17.4
83.05010	3.3
84.08167	2.3
85.02927	2.2
86.09683	2.1
91.05499	4.1
93.07037	5.4
93.08406	1.5
95.04987	8.9
95.08617	12.6
97.06552	2.1
103.05493	1.8
105.07011	2.0
107.08597	1.9
109.06521	1.9
109.10162	60.4
111.04443	2.6
112.03647	1.4
119.08563	5.2
120.08128	2.5
121.10176	3.3
125.06001	7.1
131.04907	2.5
137.05974	4.4
137.09621	100.0
139.03914	1.8
146.08080	1.9
147.04414	1.5
155.10672	21.2
163.07529	2.0
165.09122	72.2
183.10175	14.3
184.76006	1.3
193.08617	2.2
201.11206	30.8
201.12854	2.4
204.06648	1.9
323.90326	1.4
339.14395	14.3
357.15497	8.1
357.24539	10.5
375.18030	2.2
375.25809	23.2
375.30200	1.6
391.77863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01860	8.0
55.05266	4.6
55.05515	63.4
57.03437	5.7
59.04999	5.1
64.69719	2.3
65.03947	3.8
67.05508	100.0
69.03435	3.7
69.07059	8.7
71.04974	4.4
73.02914	4.9
73.26587	2.4
76.94613	2.2
79.05493	23.4
81.03410	11.8
81.07067	37.3
83.01384	2.5
83.04966	8.7
83.08622	28.8
85.02906	16.2
85.06544	6.1
87.04466	11.0
91.05481	18.4
93.07043	16.4
95.04987	5.2
95.08601	15.0
97.02905	5.4
97.10178	35.2
100.81701	2.5
105.07056	6.0
107.04933	4.5
107.08591	17.2
109.06508	4.4
109.09462	4.7
109.10164	72.7
111.04436	3.0
117.07028	7.3
119.08597	8.7
121.10141	5.9
123.11729	3.1
125.09641	37.3
131.08598	5.1
133.10130	3.5
134.89694	2.4
135.11682	7.7
137.09644	3.8
145.10132	8.6
153.12770	5.8
155.10661	18.3
163.11253	14.7
173.09575	3.6
173.10129	3.2
173.11739	59.4
181.12134	2.4
187.13353	5.2
191.10741	3.6
209.11754	3.0
339.79382	3.2
349.49997	2.5
375.25702	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	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
57.07079	6.8
57.07343	0.3
58.06603	1.3
64.92994	0.2
67.05471	0.3
68.05006	0.2
69.07037	0.5
70.06593	15.2
71.08630	2.7
71.57486	0.2
72.08118	0.6
74.06073	0.5
79.05478	0.2
81.07036	0.3
83.08601	0.2
84.08120	0.4
85.10180	1.3
86.06058	0.2
86.09694	0.2
88.07632	21.4
91.05447	0.3
93.07028	0.4
95.08589	0.3
102.09177	12.4
105.07029	0.2
109.10127	0.3
112.46268	0.2
114.09166	0.2
132.10176	1.1
137.05037	0.2
137.05997	2.1
138.06305	1.0
146.11731	0.7
150.11261	0.9
240.49019	0.2
268.29953	0.6
286.30975	0.3
298.77206	0.2
306.11963	0.4
312.32590	41.1
313.32980	0.6
356.15494	0.3
356.35181	2.9
374.36279	100.0
375.36557	1.4
395.23367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58114	1.1
53.03946	1.2
55.01867	3.2
55.05522	4.9
56.05045	3.3
56.96563	2.0
57.03444	1.7
60.04224	1.4
60.04528	22.3
65.03900	1.1
67.05508	13.1
68.05021	3.5
69.03430	7.7
69.07072	6.2
70.06593	6.0
70.67010	2.6
71.01366	1.2
71.04996	7.5
71.52413	0.9
72.04524	3.3
72.08169	1.7
74.06100	1.6
79.05502	6.8
80.05021	13.1
80.67449	1.0
81.03412	7.3
81.07068	13.5
82.06598	8.5
83.04975	2.2
83.08639	2.5
83.49596	1.2
84.04547	1.9
84.08147	2.7
85.02898	2.9
85.06538	2.0
86.06075	1.4
86.09706	2.5
87.04473	1.7
90.05533	1.9
91.05487	7.3
93.07050	9.3
94.06580	18.0
95.04989	1.9
95.08624	11.3
96.08157	1.9
97.02899	2.6
97.06531	13.3
97.10184	1.4
98.06068	3.3
98.20864	1.1
98.97602	2.1
105.07040	4.2
107.04975	1.0
107.08607	6.0
108.00195	1.1
108.08151	5.3
109.06540	1.4
109.10181	5.6
110.06067	2.3
111.04464	1.6
111.08096	1.6
116.07114	2.3
117.07017	1.4
119.04952	1.5
119.08617	2.2
120.08123	3.5
121.10161	3.4
122.06036	3.2
122.09671	1.8
124.07573	1.1
127.03927	1.4
131.08566	2.4
133.10184	2.7
134.09714	1.8
135.11656	1.2
137.05978	10.0
138.06328	4.5
145.10115	1.4
146.08138	1.5
147.04442	3.4
152.41335	1.1
163.04021	2.0
168.07385	1.0
177.09140	1.3
195.10281	1.9
222.18842	1.2
232.20673	1.2
250.21695	1.3
252.23303	2.1
260.19986	1.3
264.23233	20.2
272.23834	2.7
282.24326	10.8
290.24771	5.1
292.22952	1.4
292.26431	3.0
302.24802	14.3
306.12039	1.8
310.23273	1.3
311.53238	1.1
312.13272	2.0
320.25800	11.7
327.26501	1.3
328.24893	3.0
338.26724	6.7
342.22815	1.6
345.62747	1.1
356.15863	2.2
356.27979	100.0
357.28320	1.5
357.50449	1.1
374.16440	3.2
374.25192	12.4
374.29150	98.2
375.20007	2.9
375.29190	1.9
375.76962	1.1
393.48291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95092	4.3
53.03926	4.7
55.01861	6.7
55.05513	48.4
56.96571	4.7
57.03442	10.0
59.05007	9.9
67.05511	83.7
69.03406	5.6
69.06785	4.0
69.07079	47.3
70.00503	21.0
71.04993	100.0
72.64481	5.2
73.02856	4.6
73.06573	5.2
79.05497	64.6
80.60964	4.4
81.03448	4.5
81.07065	86.1
83.04961	10.9
83.08611	28.6
84.04240	3.9
85.06556	10.8
89.94021	4.3
91.05491	35.4
92.64628	4.0
93.07044	65.4
95.04948	7.9
95.08600	47.9
97.06542	27.0
97.10180	29.9
98.20843	8.8
99.08096	8.1
105.07045	30.4
105.20904	4.3
107.04959	6.5
107.08599	62.2
109.06530	12.4
109.10157	70.9
111.08065	9.2
115.07558	8.3
117.07023	17.8
119.08595	28.4
121.10156	22.6
123.08128	7.4
124.70358	4.0
125.09641	33.1
127.84819	4.2
131.08560	19.4
133.10109	26.7
135.08066	14.8
135.11658	31.4
137.06039	11.3
137.09708	5.6
145.10150	10.0
147.11670	13.9
149.09637	10.4
149.13289	10.8
151.11150	4.8
153.09056	5.5
155.10684	24.5
159.11717	32.5
161.13266	5.3
173.11746	44.5
173.13200	7.0
177.12793	36.8
187.11792	7.5
187.13278	41.7
193.98996	6.4
203.12755	39.4
209.15407	18.7
217.70862	4.7
224.08966	5.8
241.09271	14.5
241.18002	81.5
242.10001	13.0
257.18942	9.0
275.20032	47.0
289.21573	15.1
307.22696	10.8
321.24304	11.8
333.19073	29.3
351.20248	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01876	10.0
55.05506	42.0
56.96577	3.8
57.03434	10.1
57.07077	5.1
59.04996	13.5
67.05173	6.4
67.05508	100.0
69.07077	53.7
69.31180	3.9
69.78811	10.5
69.79224	12.2
71.04996	82.5
75.37240	4.0
79.05497	61.5
81.03414	12.8
81.07056	67.8
81.65491	4.0
83.04969	9.2
83.08628	26.1
83.48640	3.4
85.06527	12.1
91.05472	38.0
93.07053	60.7
95.04988	22.0
95.08621	43.6
96.05312	5.1
97.06538	24.4
97.10165	36.7
98.79722	3.9
99.08102	5.9
105.07040	34.2
107.04983	9.2
107.08602	74.6
108.94008	3.7
109.06514	14.7
109.10172	60.6
111.08075	11.2
115.07562	5.6
117.07023	14.6
119.08561	31.1
121.06488	5.1
121.10149	29.0
121.65631	4.6
123.08081	11.2
123.11694	7.5
125.09655	38.2
126.56012	4.6
128.06276	5.8
128.07877	3.9
131.08571	18.9
133.10135	24.8
135.08035	7.9
135.11739	11.8
137.05984	19.0
137.09653	4.9
138.06297	9.2
145.10117	14.9
147.11696	11.6
149.09622	13.8
149.13269	13.1
153.09163	4.1
155.10715	19.0
157.10123	11.2
159.11708	25.1
163.11140	6.4
171.11821	4.9
173.11761	49.8
173.13165	8.3
177.12762	15.9
187.11580	6.9
187.13281	48.4
203.12790	23.2
209.15424	8.8
239.17957	5.5
241.17963	36.0
257.19003	11.2
265.39050	3.9
275.20065	44.6
289.21561	19.6
307.22696	14.1
321.24182	11.1
351.20251	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	374.2542
Annotation	O-dodecanedioylcarnitine
Peak:m/z	Relative Intensity
50.19499	0.4
53.03954	0.4
53.30270	0.4
55.01866	0.9
55.05515	3.0
56.05033	2.6
56.96557	0.8
57.03430	1.1
58.06595	0.6
60.04528	13.2
67.05178	0.4
67.05508	5.2
68.05014	1.8
69.03417	1.3
69.07071	3.9
69.35880	1.4
69.36289	2.0
70.06594	4.0
71.04980	1.4
72.04517	2.5
72.08141	0.5
74.06064	1.0
79.05496	4.0
80.04581	0.6
80.05019	11.2
81.03410	1.3
81.07070	5.5
82.06594	2.6
83.04959	2.4
83.08611	1.2
84.04492	1.2
84.08138	1.2
85.06522	1.3
86.06065	0.9
86.09690	1.2
88.07605	1.8
90.05531	1.4
91.05495	3.4
93.05763	0.5
93.07037	4.9
94.06570	12.6
95.04970	0.6
95.08601	3.4
96.08118	1.2
97.02919	0.5
97.06507	1.9
97.10180	0.6
98.06031	2.1
98.06837	0.5
98.97575	1.3
102.05466	0.5
105.07011	2.5
106.06561	0.8
107.04935	0.6
107.08587	2.0
108.08096	1.6
109.06496	0.7
109.10117	1.4
110.06016	0.6
110.09630	0.5
111.08060	2.1
112.07610	0.8
116.07063	0.7
117.07018	0.7
118.08730	0.4
119.04957	0.5
119.08543	1.6
120.08092	2.1
121.06506	0.5
121.10133	1.8
122.09632	0.9
123.08052	1.1
123.11689	0.7
125.09618	0.6
127.03980	0.5
131.08507	1.3
133.10104	1.4
134.09642	1.0
135.11674	0.7
137.05998	3.0
138.06310	1.3
138.12752	0.6
142.13106	0.5
145.10124	1.0
147.04367	1.4
147.11697	0.6
148.11177	0.7
151.07556	0.6
156.32446	0.4
159.11578	0.5
167.06976	0.6
179.14362	0.6
194.15414	0.5
206.15379	0.7
208.16956	0.6
220.17015	1.1
224.20042	1.7
236.16438	1.1
236.20084	3.2
244.20517	1.7
246.18423	0.7
250.21786	0.7
251.58638	0.7
254.21172	1.5
262.21750	2.7
264.19470	0.5
264.23227	1.6
270.20566	0.8
274.21631	4.4
282.20685	1.7
282.24258	2.3
284.13306	0.5
292.22693	4.2
300.21716	2.4
300.25180	0.9
302.24670	0.5
306.12103	0.5
308.22134	0.5
310.23801	1.9
320.22137	2.8
320.25693	1.0
328.21271	0.8
328.24838	6.9
338.23120	1.7
338.26868	0.7
356.24158	4.2
356.27884	1.1
374.25269	100.0
374.29120	11.3
375.25720	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	374.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01860	3.1
55.05505	3.6
56.05014	3.4
57.03441	1.7
57.54993	0.7
58.06571	0.9
60.04533	12.5
61.02941	1.3
65.03931	0.8
67.05505	10.4
68.05022	3.4
69.03435	5.7
69.07064	3.5
70.06606	4.7
70.97720	0.7
71.04988	4.0
71.08041	1.5
72.04514	5.3
72.08143	1.5
73.02896	1.1
74.06084	9.8
74.73150	1.0
79.05495	6.4
79.84280	0.8
80.05019	4.5
81.03427	4.0
81.07058	8.2
82.06582	4.8
83.04965	3.0
83.08596	2.1
84.04494	2.2
84.08130	3.5
85.02919	6.4
86.06081	4.2
86.09704	4.5
87.00831	2.1
90.05556	1.0
91.05476	6.2
93.07063	6.2
94.06568	5.3
95.04977	3.0
95.08600	5.3
96.04493	3.0
96.08142	1.6
97.02909	3.2
97.06539	8.6
97.10172	0.9
98.06049	1.8
98.09664	1.5
99.04453	1.7
99.08117	0.8
100.07637	1.5
102.05552	1.3
103.05441	1.1
105.01884	1.4
105.07047	2.9
106.06579	0.9
107.04988	1.2
107.08589	3.5
108.04423	0.9
108.08136	1.5
109.02887	2.1
109.06505	1.3
109.10162	7.3
110.06024	3.6
110.09676	5.5
110.10451	1.5
111.04476	1.1
111.08092	1.4
112.03958	1.1
114.05613	1.4
116.07079	1.5
116.10731	3.5
117.07000	1.2
119.08585	2.4
120.08085	2.9
121.06495	2.1
121.10142	4.1
122.06034	1.4
125.09645	1.0
126.05560	1.1
127.03899	3.9
128.07066	3.9
129.07045	1.0
130.04988	2.0
130.06474	1.1
131.08577	1.6
132.06590	8.0
133.10170	1.3
135.08070	1.7
135.11732	1.5
136.07588	1.0
137.06007	7.5
137.09636	5.8
138.06325	4.4
138.09155	3.4
143.11734	0.9
144.06577	9.0
145.04951	2.1
145.06493	1.1
145.10114	1.6
146.06102	1.4
146.08125	19.7
147.04387	1.4
147.11678	1.3
149.05974	1.2
155.10675	2.1
165.09160	4.8
165.10405	0.7
167.07117	0.9
173.09566	0.9
177.09122	0.9
188.07088	2.2
201.11157	1.3
205.09776	0.9
224.20113	2.6
227.98927	0.9
234.14890	1.7
234.18425	0.9
235.09535	0.9
235.30069	0.9
237.18596	1.0
243.08911	1.2
250.21742	1.6
260.20126	3.5
262.21729	2.4
266.21124	2.5
272.20004	1.3
274.21780	1.4
278.21182	1.9
290.21185	8.7
296.22198	1.5
302.21219	1.6
306.11969	1.2
306.20197	1.0
308.22113	1.2
320.18762	1.0
320.22409	2.4
324.21609	5.6
326.23270	3.2
328.24652	1.2
338.19724	1.6
338.23291	5.7
342.22867	3.0
356.16824	1.8
356.20840	1.8
356.24332	31.9
356.27966	2.1
361.63525	0.9
374.25406	100.0
375.25757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.254
Annotation	O-dodecanedioylcarnitine
Peak:m/z	Relative Intensity
53.03935	1.2
55.01868	1.1
55.05515	2.9
56.05038	2.3
56.96597	0.4
57.03441	0.9
58.06601	0.9
60.04529	9.1
65.23238	0.4
67.05512	4.7
68.05016	1.5
69.03435	2.0
69.07069	2.1
70.06593	3.2
71.04991	1.5
71.21319	0.5
71.21673	0.9
72.04518	4.3
72.08155	0.9
73.02901	1.2
73.28156	0.4
74.06085	6.9
79.05498	3.7
80.05029	4.8
81.03421	1.5
81.07057	4.5
82.06584	2.7
82.11958	0.4
83.04984	1.6
83.08636	0.6
84.04510	1.8
84.08132	1.6
85.02905	1.4
85.06546	0.9
86.06071	2.1
86.09719	2.2
90.05548	0.9
91.05475	3.1
92.05036	0.4
92.05843	0.6
93.07049	3.5
94.06570	4.3
95.04969	1.0
95.08614	3.5
96.04487	1.5
96.08112	1.3
97.02911	0.5
97.06541	1.7
98.06064	1.5
98.97601	1.0
99.89540	0.4
100.07631	0.8
102.05519	1.1
103.05477	0.5
104.07002	0.4
104.81104	0.4
105.07033	1.9
105.26329	0.4
106.06580	0.6
107.04948	1.1
107.08588	3.0
108.08135	0.8
108.08928	1.0
109.06516	0.7
109.10154	1.0
110.06052	2.9
110.09667	0.5
111.04467	0.5
111.08127	2.1
114.05533	1.2
116.07073	2.2
117.06992	0.7
118.07354	0.7
119.08597	1.4
120.08111	2.2
121.10143	1.5
122.06028	1.1
122.09614	0.4
123.11681	0.4
124.07629	0.6
125.09552	0.5
128.00937	0.5
128.07079	2.8
130.05049	0.7
130.06551	1.4
130.08626	0.6
131.04886	0.7
131.08595	1.0
132.06578	5.6
133.10135	1.4
135.08090	3.2
135.11681	0.5
136.07550	0.8
136.08417	3.3
137.05998	4.2
138.06310	1.9
144.05496	0.8
144.06570	7.7
145.10110	0.7
146.08128	15.5
147.04433	0.6
147.11674	0.7
151.07518	0.5
163.07555	1.7
164.07906	1.7
167.06941	0.6
170.09671	0.6
177.09152	0.4
179.14308	0.4
181.08525	0.9
182.08961	1.2
204.13985	0.7
206.15443	0.8
211.17154	0.5
217.07455	0.5
220.17010	1.4
224.20134	1.5
225.18501	0.7
232.16933	0.5
234.14909	0.5
236.20184	0.6
248.19948	0.8
250.21628	0.9
251.08540	0.6
260.20166	2.4
262.18054	0.9
262.21689	1.7
266.21179	1.4
272.20047	1.0
274.21698	0.7
278.21237	1.4
290.21158	5.5
292.22568	0.9
296.22324	2.3
302.21265	0.7
308.22211	1.3
310.19745	0.4
310.23535	0.5
320.22260	1.2
326.23312	1.6
328.20923	0.8
328.24808	0.9
338.19748	0.7
338.23273	3.0
344.24384	0.8
346.21317	0.5
356.20679	1.0
356.24341	16.6
374.25409	100.0
375.25726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.6
55.01876	17.5
55.05513	57.0
56.96561	16.3
57.03436	36.1
59.04983	6.1
61.02931	9.9
61.60177	4.8
67.05511	100.0
69.03426	18.3
69.07073	42.4
70.38721	11.6
70.39079	10.9
71.04996	17.0
73.02918	11.1
76.76250	5.4
79.05494	85.1
80.62678	5.3
81.03416	67.8
81.07056	69.0
83.04985	36.0
83.08629	24.2
85.02913	14.3
85.06567	12.3
91.03932	7.3
91.05495	52.5
93.07043	54.4
94.07413	4.9
95.04978	43.6
95.08617	41.2
97.02913	10.8
97.06545	45.5
97.10167	23.4
98.97589	15.0
105.07053	37.5
107.04969	16.0
107.08592	44.7
109.06533	57.6
109.10159	38.5
111.04455	6.7
111.08083	14.5
113.05969	6.3
115.07590	18.1
115.73180	4.4
116.98659	7.0
117.07036	15.9
118.03593	5.6
119.08601	31.1
121.06494	25.8
121.10136	30.2
123.08083	30.1
125.09621	30.5
129.07039	12.9
131.00148	5.6
131.08572	20.3
133.06496	6.2
133.10150	15.2
135.08052	23.5
137.05992	58.0
137.06950	8.0
137.09613	16.7
138.06294	30.1
138.68446	4.5
139.11194	17.5
143.08606	7.0
145.10147	19.4
147.08029	12.5
147.11696	12.5
149.01273	6.5
149.09630	20.0
151.07587	10.7
151.11247	6.8
153.09116	8.6
157.10191	13.6
159.08046	30.3
161.09717	6.1
167.10631	8.5
170.38538	6.1
171.10252	6.0
173.11777	33.5
175.11227	15.4
177.09187	9.3
185.09898	5.8
185.11758	22.0
185.13277	6.5
193.12253	55.4
203.12813	13.8
211.13342	7.8
217.12332	8.2
217.28336	4.9
219.13777	5.5
225.14844	36.3
231.13931	5.6
233.15396	11.7
243.08905	6.8
251.16344	11.5
253.15747	6.0
261.18591	5.8
267.09036	6.0
271.16922	18.8
285.09906	5.7
289.17960	42.7
293.13284	40.1
303.19522	5.5
307.19049	8.9
321.20581	6.0
344.08017	5.7
356.15747	6.6
374.12549	10.3
374.16461	7.5
374.26608	11.0
374.66379	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	374.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41895	1.2
53.03950	2.9
55.01868	6.1
55.05511	21.1
56.96564	2.8
57.03452	6.4
59.05000	11.4
65.03951	1.5
67.05508	50.7
67.16389	1.4
69.03423	4.0
69.07075	28.6
70.49695	1.2
71.04997	35.8
71.57610	2.0
73.02925	2.6
73.06554	2.2
73.13431	1.4
77.00900	4.8
79.05494	31.0
81.03432	7.4
81.06578	2.6
81.07060	43.3
83.04977	4.7
83.08617	13.6
85.02909	2.4
85.06551	6.2
91.05480	21.5
93.07052	30.6
95.04955	7.5
95.08604	19.6
97.06538	20.3
97.10178	20.1
103.88288	1.2
105.07047	16.7
107.04976	6.2
107.08595	27.5
107.68917	1.3
109.06538	9.1
109.10169	24.2
111.04473	1.4
111.08086	5.2
113.00931	1.4
113.06030	1.3
115.02459	1.3
115.07578	7.8
117.07024	10.7
119.04960	1.4
119.08572	16.8
121.06506	3.9
121.10152	13.3
123.08113	3.8
123.11711	3.0
125.09631	18.5
127.07573	2.0
129.07053	2.4
131.01930	5.1
131.08588	13.7
133.10132	10.5
135.08080	5.4
135.11702	10.0
136.52344	1.3
137.05960	10.7
137.09627	4.2
138.06363	5.0
139.11214	1.6
141.03992	1.8
143.08607	3.7
145.10124	7.3
147.08073	1.5
147.11665	6.5
149.09648	6.0
149.13257	3.3
151.11127	2.2
153.09138	2.5
155.10684	5.0
156.02719	1.9
157.10135	2.9
159.11726	12.9
161.09674	2.5
161.13257	2.2
163.11200	3.3
165.12758	2.4
167.10672	1.5
169.03499	3.9
171.11707	1.6
173.11751	13.3
173.13310	3.7
175.11227	2.3
177.12682	7.4
182.04251	2.8
185.06630	2.0
186.07430	2.7
187.08209	1.8
187.11375	1.8
187.13329	11.8
193.12288	3.8
195.05025	4.2
195.13907	1.9
197.06454	1.6
199.14891	3.1
199.77893	1.7
201.09735	3.0
203.12740	11.2
203.14223	1.2
205.07082	1.5
206.07939	1.5
207.05037	2.0
209.15424	3.7
211.08139	2.0
213.09731	2.3
215.11349	3.2
217.15935	4.3
223.08173	10.1
223.13338	2.1
224.08983	10.0
225.09732	2.8
227.11226	2.6
227.16492	2.8
231.10841	3.6
237.14821	2.0
239.11177	1.7
239.17958	2.9
241.09213	26.3
241.17970	16.7
242.10005	16.7
243.10696	5.7
249.18675	3.5
256.07950	4.2
257.19031	4.9
259.10156	5.4
260.11063	4.7
264.10791	2.6
275.20013	16.2
281.21161	4.0
289.21594	5.3
291.18176	1.8
301.81158	1.7
306.11887	1.6
307.22574	4.6
315.18149	9.3
321.24261	4.0
333.19135	41.7
334.19067	1.6
351.20206	100.0
352.20355	3.9
356.20535	2.0
369.21054	3.2
374.21750	15.7
374.25415	1.6
375.21680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56735	2.4
55.01857	3.1
55.05514	31.1
57.03440	3.2
57.07090	4.9
57.07368	2.7
58.06593	2.2
67.05504	43.9
69.03438	3.4
69.07073	12.0
70.06582	11.6
71.08628	3.5
71.57592	2.6
73.02915	5.1
79.05487	15.3
81.03408	10.9
81.07057	24.6
83.04980	4.0
83.08617	17.4
84.08135	3.2
85.02885	10.4
85.06548	2.7
86.09715	5.1
87.04468	7.3
88.07634	15.0
91.05465	9.9
93.07034	8.5
95.04934	3.4
95.08589	9.7
97.02889	4.2
97.06554	5.2
97.10185	33.1
102.09183	8.1
105.07004	4.8
107.04892	2.6
107.08621	15.0
109.06434	2.4
109.10158	41.0
111.08060	4.3
119.08556	10.7
121.10100	3.9
125.09634	37.7
131.08521	4.4
133.10072	3.9
135.11748	3.3
137.05994	27.6
138.06310	17.7
145.10132	7.7
151.77673	3.1
152.07884	3.5
155.10660	8.5
163.11162	11.9
173.11768	45.7
173.13216	5.2
174.09099	2.3
181.12283	3.4
187.13322	4.3
193.12254	3.2
195.47325	2.5
209.11752	7.9
251.11150	2.6
269.12433	3.7
279.47223	2.5
306.12000	5.3
312.32574	33.1
333.18439	2.8
356.15601	2.8
374.31723	3.9
374.36273	100.0
383.42236	3.0
388.57614	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	374.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68202	0.4
53.03955	0.5
55.01872	1.0
55.05523	2.4
56.05044	3.4
57.03435	1.0
60.04258	0.8
60.04534	11.4
63.84802	0.4
67.05518	3.9
68.05024	1.5
69.03426	2.0
69.07068	3.3
70.06602	2.3
70.50362	1.3
70.50738	0.8
71.04990	1.3
72.04515	1.3
72.08169	0.5
73.02922	0.5
74.06087	0.8
78.57397	0.4
79.05486	3.2
80.05027	6.5
81.03419	1.9
81.07069	3.7
82.06583	2.2
83.04986	1.0
83.08597	0.5
84.04510	29.4
84.08156	1.4
85.02917	4.2
85.06544	1.0
86.06065	0.5
86.09711	100.0
87.00846	1.5
87.04464	1.1
87.10043	1.5
90.05566	1.3
91.05486	10.6
93.05769	0.4
93.07037	2.6
94.06581	7.2
95.04970	1.1
95.08624	3.6
96.04492	1.9
96.08106	0.6
97.02903	1.2
97.06547	1.0
98.06068	1.4
99.04439	0.5
102.05546	13.9
104.07143	0.6
105.01902	2.5
105.07040	2.4
106.06561	2.4
107.08602	1.7
108.08133	0.8
109.02883	0.8
109.06528	0.8
109.10158	0.8
110.06068	1.3
111.08097	1.4
112.07613	0.6
113.07144	2.0
114.05563	0.6
116.07105	1.1
117.07049	1.0
118.06630	0.5
119.08601	1.0
120.08124	2.6
120.08942	0.4
121.06573	0.7
121.10136	0.6
122.09743	0.5
123.08102	1.4
124.07629	0.8
125.09612	0.5
127.03931	2.9
129.06573	4.0
129.10240	0.7
131.08603	1.0
132.06596	1.9
132.10214	41.0
133.10175	1.0
134.09686	1.2
135.08086	1.3
136.07565	1.7
136.08464	1.0
137.05971	1.6
138.06328	0.8
141.06604	4.1
143.08536	0.6
145.04985	1.5
145.06508	0.6
145.10101	0.6
147.08080	0.5
150.09184	0.7
151.07608	0.5
152.10765	2.4
152.14226	0.5
155.08394	0.5
159.11699	0.5
164.07883	0.8
170.11749	4.3
176.10771	1.2
179.10759	0.5
189.11353	0.5
194.11699	0.5
197.12880	20.6
208.16891	0.6
215.13921	31.3
224.20146	1.9
225.12372	8.0
231.05078	0.8
236.20224	1.8
243.13420	12.0
243.15768	0.7
244.20804	0.9
245.18642	2.5
254.21257	1.0
262.21725	1.9
264.19647	0.5
264.23077	0.5
272.16483	0.6
274.21677	3.1
282.20721	1.1
284.16562	0.7
290.17499	0.6
292.22797	2.7
300.21869	0.7
302.17514	1.2
308.18558	0.5
310.23868	1.1
320.18579	1.6
320.22253	1.4
328.24893	5.1
338.19641	0.9
347.17966	0.5
356.20459	4.0
356.24521	1.8
374.21637	13.5
374.25546	55.7
375.25735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05511	2.7
58.99861	4.6
67.05498	4.3
69.07066	3.8
70.58923	1.3
71.56851	1.7
77.00918	14.6
79.05500	4.8
81.07047	7.7
83.08633	1.6
91.05466	4.0
93.07035	3.2
95.01940	6.0
95.08596	2.7
97.06503	1.8
97.10161	3.0
103.53728	1.2
105.07019	2.3
109.06513	2.1
109.10147	2.7
110.30941	1.2
117.06985	2.6
119.08610	3.0
122.03653	1.5
129.04018	2.4
131.01897	3.0
131.08600	1.9
133.03377	1.5
133.10159	1.7
137.05995	11.9
138.06291	6.7
141.03958	3.5
145.10072	1.5
147.05009	1.6
153.03981	1.9
155.05557	3.4
157.03488	2.6
159.04984	2.9
167.05534	2.0
169.07118	4.6
171.05038	3.4
173.06593	5.0
181.07146	1.8
183.08630	7.8
185.06578	1.7
187.08214	7.7
187.95189	1.3
193.07080	1.5
195.08684	3.0
197.10277	3.9
199.08144	1.6
201.09740	19.5
205.09215	1.7
207.08629	2.1
209.10179	2.7
213.09781	3.3
215.09157	3.5
215.11278	7.8
219.10760	4.5
221.06677	2.4
221.10246	3.5
223.11803	8.8
224.11308	1.5
227.11214	9.7
233.10220	7.1
235.08087	1.8
235.11777	1.7
237.09752	2.2
237.13275	1.6
239.11340	16.7
241.12885	9.4
245.10358	1.6
247.11722	3.7
249.09843	7.9
251.11304	29.5
253.12935	6.6
255.14418	2.4
256.53458	1.7
257.12354	25.1
262.12927	3.8
263.11316	4.8
265.12866	4.1
267.10815	24.5
269.12347	52.5
270.12573	1.8
271.13873	3.5
273.13461	1.8
273.16965	3.0
274.12991	4.6
275.14798	3.2
281.12418	3.1
282.13062	2.1
285.11957	2.3
290.12381	2.2
291.14899	2.5
291.18024	8.4
292.13931	4.5
293.15991	2.1
297.16959	2.8
306.12027	2.2
309.15598	2.6
309.18903	2.0
313.16428	2.7
315.18048	24.3
333.19110	73.0
334.19519	1.7
338.19543	1.8
339.21762	1.6
351.20190	100.0
352.20255	2.5
356.20715	11.8
374.21747	19.1
375.21973	1.7
385.03378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67121	0.9
53.03931	1.5
55.05514	2.5
55.63157	1.0
58.99859	1.9
67.05517	4.7
69.07071	4.3
70.41743	2.0
70.42139	1.9
74.97145	1.0
77.00916	9.0
78.22267	1.1
79.05494	4.5
81.03394	1.1
81.07059	4.0
83.08567	1.0
89.85364	1.0
91.05468	5.1
91.68222	1.0
93.07055	2.9
95.01938	6.0
95.04995	1.4
95.08599	1.9
97.06542	1.3
105.07022	2.8
107.08608	3.4
109.10168	2.5
117.07033	1.4
120.16472	1.0
121.10159	1.2
125.09672	1.3
131.01964	1.8
131.08575	1.5
137.06003	9.0
138.06352	6.5
153.04013	1.2
169.07104	1.2
173.06587	1.2
175.09677	1.0
183.08711	3.6
187.08154	2.7
195.08641	1.6
201.09753	13.1
207.05060	3.1
209.10182	1.4
213.09767	1.6
215.11250	2.1
217.10866	2.1
219.10725	5.7
221.10193	1.0
223.11810	3.5
224.08104	1.0
227.11200	6.3
229.12732	1.2
231.12244	1.4
235.11830	4.1
239.11293	13.9
241.12782	2.1
243.10751	1.2
245.12277	6.3
249.13397	1.0
253.12965	3.1
257.12344	19.1
259.15521	1.1
261.13324	5.0
262.12973	1.9
264.12097	2.6
275.14883	1.8
281.15991	1.2
282.13083	1.5
287.18515	1.6
289.17905	1.5
290.86554	1.1
297.17072	1.6
301.78345	1.1
315.18069	31.4
333.19135	100.0
334.19223	2.1
340.25793	0.9
344.08463	1.3
345.68225	1.0
351.20270	41.1
352.20355	1.8
356.20657	14.1
374.21738	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	374.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06289	0.5
51.75068	0.4
53.03952	0.6
55.01880	8.4
55.05500	0.8
56.05024	0.9
60.04526	21.9
63.44940	0.5
63.45257	0.4
67.05515	3.3
68.05039	1.0
69.03429	1.7
69.70329	2.6
70.06602	0.8
71.04986	2.3
72.04501	1.3
74.06087	0.7
79.05486	5.3
80.05009	1.7
81.03401	2.2
81.07053	2.7
83.04960	0.6
84.04501	1.6
84.08126	0.8
85.02898	1.6
85.06529	0.7
86.06062	0.5
86.09689	4.5
87.04465	3.2
90.05547	1.8
91.05485	2.7
93.07040	1.8
94.06560	1.3
95.04975	1.3
95.08582	1.8
96.04484	2.2
96.08173	0.6
97.06535	29.6
98.06027	1.1
98.97581	1.3
103.05449	0.7
105.07043	2.9
106.06538	2.2
107.04935	0.8
107.08596	1.7
108.08116	1.3
109.06558	1.3
109.10175	0.8
110.06021	1.7
111.43724	0.5
112.03967	0.5
112.07579	0.6
114.05512	0.5
117.06997	0.6
117.77522	0.5
118.06561	1.2
119.08567	1.8
120.08118	2.2
121.06537	0.8
121.10107	1.1
122.06018	2.0
123.08060	2.0
124.07603	1.0
125.09612	0.8
126.05502	1.5
129.07021	0.8
130.04991	2.3
131.08546	1.8
132.06561	6.1
132.08110	1.3
133.06477	1.4
133.10155	0.9
134.05998	0.5
134.09633	0.8
135.08006	0.7
136.07564	3.6
136.41711	0.5
137.05978	1.1
137.09630	1.0
138.09129	0.6
145.10144	1.0
146.08174	0.6
147.07719	0.9
147.11635	0.8
148.07573	2.0
149.09599	1.4
150.09138	1.6
151.07426	0.5
152.07095	1.6
153.09103	0.8
154.08708	1.0
157.10135	0.6
158.08153	1.1
161.09650	1.2
163.11166	1.0
164.10612	0.5
166.08620	2.2
168.10176	0.7
170.08145	1.4
172.09668	0.8
174.09125	0.6
175.11192	4.0
176.10683	0.7
178.08617	0.7
184.09656	1.4
187.11215	1.0
188.10707	0.9
189.12750	1.5
190.01532	0.6
193.12181	0.8
194.08032	0.6
196.09756	0.6
199.18059	1.1
201.12921	0.6
205.12212	0.6
206.11870	0.5
212.08981	0.5
218.11810	0.7
220.16891	0.8
227.17639	0.8
251.24957	0.6
252.16040	0.8
272.14548	1.2
272.16806	0.9
274.18008	0.6
278.17468	0.9
284.16400	2.5
290.17410	1.6
293.09134	1.0
296.18417	0.5
302.17392	4.3
320.18561	8.1
328.21353	0.7
338.19650	25.7
356.20685	100.0
357.21002	1.9
374.21823	12.5
374.25992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
58.99861	5.1
64.80089	1.5
67.05507	5.1
69.07092	3.2
69.67190	10.5
77.00909	14.9
78.18688	1.9
79.05510	4.2
81.07061	6.6
83.08604	2.0
88.72556	1.4
91.05459	4.1
93.07018	4.3
95.01950	7.1
95.08604	2.0
97.06519	3.4
97.10179	1.8
98.20753	3.3
105.06995	2.7
107.08596	2.5
109.10172	1.8
121.24478	1.5
122.03635	2.0
129.62497	1.7
131.01945	3.8
131.08563	2.2
133.10098	2.2
137.05984	16.6
138.06313	11.0
139.06104	2.1
141.63162	1.6
145.03464	3.1
145.10159	2.8
147.11731	2.3
153.04013	2.7
155.05548	3.1
157.03513	2.8
159.05005	3.4
169.07092	5.2
171.05034	2.9
173.06613	4.7
181.07068	2.9
183.08664	6.6
185.06609	2.4
187.08134	7.9
195.08693	4.6
197.10327	4.5
199.08330	1.8
201.09700	20.0
201.11278	2.2
205.09142	2.9
205.10904	1.8
209.10239	5.2
211.08151	3.1
211.11784	1.9
213.09732	3.9
215.09268	4.3
215.11353	6.2
219.10823	7.3
221.06664	4.1
221.10275	3.5
223.11737	9.8
227.11165	8.7
233.10222	5.6
237.13312	2.8
239.11281	14.0
241.12846	7.9
243.14418	3.7
247.11867	2.9
249.09779	6.7
251.11292	33.4
253.12929	8.1
255.14336	4.2
257.12372	25.4
262.12860	3.8
263.11285	6.0
265.12842	2.6
267.10818	22.1
269.12381	57.2
271.13831	3.6
273.13205	1.9
273.16983	3.8
274.13116	3.8
276.14948	1.9
280.02289	1.6
280.13904	2.7
281.12314	4.1
290.12543	3.3
291.14752	2.1
291.18057	6.2
292.13882	6.4
293.16040	2.8
297.17288	1.9
309.15482	2.9
313.16589	3.5
314.19772	2.2
315.18063	24.5
316.18143	2.2
333.19089	72.5
334.19394	3.0
351.20190	100.0
352.20517	1.7
356.20602	10.6
374.21857	14.8
389.24036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80295	0.9
56.96298	1.5
56.96568	22.6
69.78870	4.1
71.34589	0.7
71.95275	4.1
72.96049	1.5
77.55322	0.9
84.96031	2.0
97.96828	2.8
98.21484	1.3
98.97546	1.0
105.00156	1.0
110.97581	16.0
111.08066	0.8
116.98574	0.9
119.01714	0.9
124.36488	0.8
124.99119	1.0
128.98611	12.6
137.02756	1.1
137.06017	2.2
143.00189	2.1
146.99677	3.8
152.00131	1.4
161.01244	2.4
171.03285	2.4
185.04930	1.6
188.59544	0.7
189.04341	1.2
203.05949	1.1
227.09515	0.8
235.06517	0.9
241.07245	0.8
241.11206	1.8
245.08548	1.5
252.10376	0.9
263.09598	5.4
265.11261	0.9
270.11359	0.9
281.10684	1.0
303.12698	2.1
313.14832	1.4
315.16299	54.3
316.16626	1.3
331.15811	2.3
333.17380	100.0
334.17575	1.7
351.18423	33.4
351.22775	1.7
356.18954	12.6
374.19858	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	374.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
60.04509	0.8
67.05486	0.7
69.03419	0.7
69.43849	4.2
70.06561	1.5
70.24178	0.5
79.05473	1.0
80.04998	0.8
81.07034	0.8
82.06552	0.7
83.04959	0.5
84.08145	1.1
85.02872	0.8
86.09722	3.3
91.05454	1.9
93.07028	0.5
94.06564	0.6
97.06457	0.8
98.98457	1.7
100.95619	0.6
103.05445	0.9
105.07019	0.9
107.04953	0.9
109.06570	0.5
118.06558	3.7
120.08074	0.8
125.00008	9.1
131.04918	1.2
132.05252	0.9
132.08095	1.1
132.10210	0.6
132.75337	0.5
133.06496	0.6
134.09624	0.8
135.08015	0.6
137.05992	3.5
138.06287	0.9
144.08099	6.0
146.09673	1.3
149.05936	0.6
153.09166	0.7
158.09637	2.1
159.10484	0.9
160.11263	0.7
162.09135	2.4
163.07515	0.7
164.07869	0.6
165.09142	0.6
170.54977	0.6
172.11249	2.5
176.10722	1.7
176.14368	16.9
177.11540	0.7
190.12289	1.0
193.08492	0.6
202.15923	45.5
220.16988	100.0
221.17320	1.2
259.13251	0.6
300.13696	8.5
300.16852	1.0
342.13998	1.2
342.22845	0.9
356.24426	0.7
374.17365	20.1
374.25113	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	374.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16478	0.2
55.05492	0.5
56.05016	0.2
60.04500	0.6
67.05476	0.6
69.53979	1.1
69.94685	0.2
69.97968	0.2
70.06571	0.4
72.08131	0.2
79.05494	0.2
80.05011	0.5
81.07060	0.4
84.04502	0.3
84.08121	0.2
86.09677	1.0
91.05474	0.6
93.07039	0.4
94.06541	0.6
95.08574	0.3
98.98463	2.2
105.07025	0.3
107.08558	0.2
109.10130	0.3
112.99876	0.2
118.06536	3.5
121.10165	0.2
125.00005	9.2
132.08061	0.9
132.10223	0.3
133.08849	0.7
134.09641	0.5
137.05949	0.7
137.09598	0.3
138.06306	0.5
144.08084	6.8
145.08795	0.3
146.09645	1.5
148.11195	0.2
158.09650	3.0
159.10457	1.1
160.11230	0.4
162.09146	2.7
172.11227	2.0
173.11984	0.2
174.12837	0.3
176.10820	1.4
176.14346	17.2
177.11452	0.6
183.15823	0.3
190.12268	1.2
201.19832	0.3
202.15913	43.2
203.16193	0.4
210.14990	0.2
220.16968	100.0
221.17271	1.1
224.20050	0.3
292.22784	0.2
300.13599	8.8
311.11887	0.3
328.25043	0.3
356.16440	0.4
356.24167	0.5
374.17316	22.1
374.24872	3.3
375.17624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01869	3.8
57.03413	2.0
60.04520	2.7
61.02929	2.3
61.61837	0.9
65.03931	1.1
66.35166	1.1
69.03434	14.7
70.89194	1.1
70.89520	1.8
71.04998	1.2
73.02911	2.5
77.50754	1.1
79.05492	1.2
81.03427	10.1
81.07053	1.6
82.91708	0.9
84.04477	1.8
85.02907	42.7
86.09709	6.5
87.00836	19.2
91.05485	100.0
94.06560	1.2
97.02894	14.7
99.04467	5.6
103.03953	1.5
105.01875	29.4
105.07050	2.0
108.04482	3.1
109.02889	11.4
117.01914	1.0
126.05470	1.1
127.03920	32.3
129.01851	2.2
129.07018	1.2
132.10246	1.7
133.06479	1.5
133.41147	1.0
138.09618	1.0
145.04974	17.9
145.06412	2.2
147.02905	2.2
159.02885	7.8
171.08054	1.1
175.07556	2.4
181.06502	1.8
189.03946	2.8
199.07533	1.7
200.58424	1.0
213.03914	1.5
215.13911	2.1
217.08688	1.6
231.05045	10.0
235.09755	1.3
248.07770	1.3
249.06133	2.9
321.09796	1.3
325.55594	1.0
328.24527	1.5
374.21521	2.3
374.25415	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01876	9.6
55.05510	16.7
56.96555	2.6
57.03434	7.3
57.07051	1.9
59.22765	1.4
64.32313	1.6
67.05505	35.2
69.03086	2.2
69.03435	40.4
69.07062	22.2
70.06582	1.5
71.05000	8.2
71.26450	3.1
75.99924	1.6
77.03919	1.8
79.05491	22.0
81.03419	74.1
81.07056	97.3
83.04987	8.2
83.08629	8.1
85.02908	23.9
85.06522	5.0
86.09661	2.0
91.05482	30.0
93.07054	18.3
93.93760	1.5
95.04942	4.8
95.08607	23.1
97.02899	15.3
97.06536	20.9
97.10158	2.0
98.97576	4.2
99.04456	10.5
99.08092	3.6
105.07031	49.3
107.04890	2.6
107.08603	15.3
109.02874	30.6
109.06516	7.1
109.10150	4.1
113.06043	2.4
117.07050	1.8
119.07797	2.6
119.08582	35.6
121.06506	3.1
121.09324	2.2
121.10145	32.4
122.03606	2.3
123.08041	7.2
123.11701	35.7
125.09610	2.1
127.03914	28.4
127.07524	3.9
129.07013	2.0
131.08565	3.4
133.10118	5.3
137.05978	58.4
137.09572	1.9
137.13234	3.8
141.09068	2.2
145.10139	1.9
147.04443	2.8
147.08052	2.1
147.11685	100.0
149.05980	2.8
149.09642	2.1
151.07530	4.7
159.04369	2.2
161.05893	1.9
163.03860	6.0
163.07550	2.5
165.05443	1.8
165.12762	68.8
167.07069	2.2
173.02359	1.9
173.05952	2.1
175.11066	1.4
177.09099	4.3
183.13802	17.3
185.06015	2.0
187.03833	2.8
193.12181	4.3
199.03900	3.3
199.07735	1.7
211.13417	2.9
213.05380	4.6
229.14354	37.3
237.11188	2.0
267.13846	5.9
269.13751	8.9
273.14896	1.6
283.13071	2.1
285.11624	1.7
293.11734	2.5
305.11716	5.1
311.12756	4.7
311.16290	1.7
327.08609	2.2
327.15833	2.4
337.16306	8.2
355.17331	11.9
373.16443	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05515	3.5
56.05041	4.2
57.03433	2.4
60.04528	1.2
67.05503	4.6
67.18489	0.7
69.03436	4.8
69.07066	5.4
69.66914	3.0
70.06610	3.1
71.04987	1.2
72.08150	2.1
74.93512	0.6
76.36552	0.6
79.05497	2.2
81.03432	4.6
81.07055	2.3
83.04996	2.5
83.06110	36.8
83.08612	1.5
84.04511	43.0
84.08144	4.5
85.02901	4.6
85.06536	0.8
86.06081	3.2
86.09711	100.0
87.00854	0.8
91.05485	10.0
93.07049	2.2
94.04207	1.0
94.06595	0.9
95.04949	1.6
95.08611	2.7
96.04504	2.2
97.02898	4.3
97.06562	1.8
97.10172	0.7
98.09697	0.8
98.97586	2.4
99.04457	1.1
99.08081	0.7
101.07141	6.9
101.55276	0.7
102.05532	1.0
103.05486	1.0
105.07053	0.7
107.04984	1.8
107.08600	1.6
109.02885	1.2
109.06516	1.1
109.10156	4.6
111.04472	1.1
111.08057	1.0
113.07167	3.0
113.63920	0.6
116.07156	0.9
116.10746	1.2
116.98642	0.8
117.03368	0.9
119.04975	0.8
119.08604	1.7
120.08163	0.8
121.06557	1.1
121.10165	2.8
122.03683	2.4
124.11263	0.7
125.06002	1.6
127.03922	3.6
129.05692	1.2
129.06604	8.3
129.10266	1.3
130.05002	2.6
130.08638	0.7
132.10217	45.9
133.10153	2.0
135.08095	1.3
135.11713	1.5
137.05988	28.5
137.09674	0.9
141.06598	5.4
143.11789	1.0
145.02933	0.9
145.04982	1.6
147.04440	1.7
149.06024	0.8
149.13222	0.8
151.07587	2.6
152.10719	5.9
155.10780	0.7
157.13416	1.1
163.07532	1.7
163.11272	2.2
167.07114	1.5
169.13414	2.9
173.06015	1.1
173.11815	1.7
175.14870	0.8
177.05531	2.2
177.09138	2.2
181.12216	3.7
189.12413	1.1
195.10249	0.9
196.14464	34.0
197.12868	26.0
197.88550	0.6
199.13306	1.2
199.18079	1.0
201.05434	3.3
203.13974	1.2
214.15520	16.7
215.14005	1.2
224.13937	12.3
224.15938	0.7
225.12366	5.7
231.04897	1.3
237.11255	0.9
242.15004	12.8
243.13435	0.9
245.18687	2.5
305.08786	0.9
305.11829	3.3
310.21045	0.7
325.10675	0.9
337.14450	1.2
338.20743	1.0
355.23386	29.0
356.21814	2.6
373.18658	10.2
373.24225	4.4
373.28397	1.6
374.25485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37386	0.8
55.01876	1.5
60.50365	0.6
62.99260	0.5
65.03935	0.8
67.05494	0.8
69.03443	1.2
70.06611	1.1
70.73230	0.6
71.20597	1.0
72.08163	0.8
73.11724	0.6
74.13140	0.6
76.32541	0.7
78.04716	1.4
79.05502	5.5
81.03427	3.6
84.08156	0.7
85.02926	1.1
91.05453	4.9
92.06237	0.7
95.04974	2.1
103.05474	16.1
105.07041	7.3
106.04179	0.7
107.04961	91.7
115.05464	5.4
117.07021	2.4
119.04954	0.7
120.05743	4.1
121.06494	0.9
122.03630	1.4
123.04430	3.8
124.05219	1.5
131.04942	7.1
133.06465	2.7
135.08064	31.7
137.05980	14.9
145.06557	0.7
145.07632	4.1
147.04373	2.1
149.05984	0.7
151.03906	1.0
151.07613	1.0
152.04713	1.1
154.06261	1.9
161.06018	0.8
163.07553	100.0
164.07919	1.0
165.05449	1.3
167.07051	53.8
177.05440	0.8
180.07811	2.0
181.08577	2.0
188.09261	1.1
193.08673	1.2
195.10179	58.1
196.10432	1.0
205.31328	0.7
213.11264	1.9
250.11714	0.6
305.11774	1.4
373.14832	1.3
387.85345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05509	2.1
56.88351	1.1
57.03433	1.7
67.05511	6.7
69.03423	4.1
69.07076	2.5
69.36359	9.7
70.06586	2.9
71.04995	1.4
72.08160	3.4
79.05499	10.9
81.03418	4.5
81.07066	2.0
81.21403	1.1
83.04989	2.7
83.08630	1.7
84.04478	1.2
84.08134	2.6
85.02894	2.5
85.06497	1.1
86.09698	3.6
90.99826	1.1
91.05482	15.6
91.73901	1.2
93.07046	4.5
95.04990	2.7
95.08614	1.6
97.02861	2.4
97.06543	6.0
97.10192	2.0
98.21480	2.3
99.04469	1.1
103.05434	2.4
105.07030	8.2
107.04938	5.3
107.08594	41.5
107.09300	2.6
109.06543	4.3
109.10162	2.2
111.04428	3.5
115.05489	7.6
117.07027	10.0
119.06099	1.9
120.08162	1.5
121.06486	2.0
122.03653	2.2
123.04419	1.3
128.67720	1.2
129.10239	1.6
131.04936	4.0
133.10115	1.2
135.08058	100.0
137.05983	36.8
146.07283	1.5
148.07567	1.2
149.05988	2.7
151.07561	4.2
161.05902	1.4
163.07549	50.6
167.06973	5.6
173.11714	1.8
175.63567	1.3
177.09093	1.8
179.07143	1.3
181.08614	20.5
193.08609	1.9
194.08051	1.2
195.10236	2.1
211.13353	1.5
227.52014	1.2
305.11673	3.6
312.06158	1.8
327.08640	2.1
341.15549	1.7
373.09100	3.3
373.13910	5.5
373.18381	17.8
374.25366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.0
53.03944	6.8
53.67106	1.1
55.01868	3.9
55.05509	15.5
56.96551	2.9
57.03445	6.3
57.07073	1.2
61.02902	1.3
65.03952	1.6
67.05171	1.8
67.05511	30.5
69.03433	36.7
69.07069	17.9
69.36728	3.5
69.37151	6.5
70.06597	2.2
71.04997	7.7
73.02899	1.2
79.05497	23.3
81.03419	64.6
81.07058	92.4
83.04991	7.4
83.08621	9.6
84.08193	1.7
85.02904	28.5
85.06538	5.8
86.09686	1.7
90.49689	1.1
91.05482	30.1
93.07046	14.6
95.04970	5.0
95.08607	18.8
97.02900	14.3
97.06538	20.8
97.10137	1.9
98.97570	2.8
99.04456	11.7
99.08086	5.2
102.71806	1.1
105.07036	49.3
107.04956	1.6
107.08597	17.5
109.02872	22.1
109.06519	5.5
109.10159	6.6
111.04430	1.2
111.08057	1.3
113.05994	2.6
116.00002	1.3
116.98628	1.4
119.04997	1.7
119.08582	36.5
121.06500	3.2
121.09316	2.6
121.10140	29.7
122.03633	4.5
123.04408	1.5
123.08076	4.8
123.11705	36.1
125.05992	1.3
125.09639	2.3
127.03921	23.1
127.07578	3.4
129.06966	1.6
129.19878	1.2
131.04901	1.8
131.08580	2.1
133.10126	3.5
135.11664	1.2
137.05981	60.8
137.13229	3.9
141.09138	1.9
142.07779	1.8
143.08607	1.7
145.04933	3.7
145.06499	2.7
145.10100	1.8
146.07321	2.0
147.04410	4.3
147.11688	100.0
149.05984	3.3
151.03871	1.4
151.07553	4.3
157.06456	1.4
159.04420	1.7
162.24507	1.3
163.03920	5.1
165.05513	1.7
165.12762	67.6
173.02356	1.9
173.05988	2.5
175.11186	3.7
177.09068	4.8
183.13820	14.7
185.05914	1.4
187.03889	2.0
193.12245	8.6
199.03883	2.3
207.13712	1.3
211.13248	2.9
213.05473	2.5
213.09105	1.4
216.75618	1.1
229.14365	27.6
241.08624	1.4
267.09274	1.3
267.13724	3.6
269.13638	9.0
300.29501	1.4
305.11691	4.7
309.14737	1.2
311.12714	5.3
323.12585	1.4
327.08569	1.8
327.16010	1.3
329.62384	1.5
337.14142	1.9
337.16504	4.1
355.11536	2.3
355.15555	6.8
355.17346	6.5
373.16089	1.8
373.19177	1.5
373.27271	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80960	2.7
55.01859	8.5
55.05512	23.1
57.07069	7.2
63.36409	2.7
67.05505	49.4
69.03419	12.2
69.07050	10.5
71.04992	38.1
71.08631	5.0
73.06561	18.8
79.05487	17.7
81.07063	32.1
83.04967	10.4
83.08600	8.5
85.06521	6.5
87.04471	100.0
88.07645	4.2
91.05478	59.6
93.07043	41.2
95.04980	13.9
95.08050	5.3
95.08608	62.7
97.06513	9.0
98.21625	5.5
105.07040	22.6
107.04947	4.4
107.08595	14.3
109.06506	8.7
109.10151	52.4
111.08052	9.9
113.05994	2.8
113.09676	3.1
113.62408	2.9
117.06998	9.5
119.08577	50.0
121.06535	4.8
121.10157	2.8
123.11703	5.8
129.06944	3.4
131.08583	9.7
133.10138	68.0
135.08044	7.0
135.11676	4.7
136.69496	3.1
137.05995	29.9
137.09618	81.2
139.07513	7.3
143.08554	6.3
143.10602	3.5
145.10068	4.3
145.62959	3.2
147.11685	5.4
151.11163	26.2
155.10696	4.4
161.09618	22.5
169.12213	30.9
171.11723	3.8
173.13335	3.9
175.11172	6.9
175.44768	3.0
179.10684	42.5
183.13719	6.5
187.13312	6.5
189.12787	3.4
193.12270	4.4
197.11784	3.8
201.14873	51.8
211.13234	10.8
223.13255	3.4
226.25403	4.1
273.18558	12.7
291.19467	12.2
305.21140	11.9
312.28995	7.9
323.22134	10.0
352.16122	2.9
372.26675	3.4
372.31012	62.8
372.34915	4.1
372.38489	4.7
386.76450	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	372.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.5
56.96562	29.4
67.05511	22.6
69.45448	85.8
81.07076	22.8
87.04467	60.3
93.07057	15.3
95.08613	17.5
131.08569	13.1
136.93114	11.4
137.05977	63.4
192.73907	15.3
200.20148	11.5
213.60605	16.2
242.77867	11.9
245.53859	11.5
277.21860	14.0
309.24323	16.6
331.15991	41.0
332.86993	13.5
349.16782	100.0
372.18515	16.3
372.25909	25.9
372.30545	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	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56578	3.3
53.03936	6.4
55.01865	9.6
55.05504	28.6
57.07070	9.1
57.46181	3.1
57.99057	3.4
58.48262	3.6
59.04964	3.9
67.05171	5.7
67.05505	79.2
69.03420	10.4
69.07063	12.4
69.38076	25.2
69.38488	7.4
70.06582	6.6
71.01389	4.5
71.04991	49.9
73.06550	24.9
75.34519	3.2
79.05500	24.6
81.03423	5.3
81.07056	44.8
83.04985	8.5
83.08619	11.9
85.06561	12.7
87.04466	46.2
88.07650	5.6
91.05478	67.3
93.07053	46.5
95.04967	14.0
95.08603	70.1
97.06544	9.0
98.20704	7.9
101.06013	3.4
105.07039	31.2
107.04900	3.3
107.08583	11.3
109.06507	10.3
109.10156	71.7
111.04405	4.7
111.08073	9.8
113.05986	4.3
113.09698	4.3
115.07536	5.2
117.07040	8.2
119.08579	55.5
121.06488	6.3
121.10133	7.6
127.07648	3.9
131.08592	8.0
133.10124	85.7
135.08043	7.5
135.11703	9.0
137.06006	30.7
137.09608	100.0
139.07555	7.6
143.08572	5.8
145.10091	7.4
147.11668	4.3
149.09637	4.6
151.07565	5.7
151.11206	37.2
157.10132	4.5
159.11829	5.4
161.09619	25.0
163.11191	3.4
169.12228	33.1
174.30965	5.0
176.58342	4.0
177.09023	4.3
179.10667	70.2
183.13829	10.5
187.13229	6.6
189.12709	4.0
193.12198	5.3
201.14864	64.9
211.13301	21.5
217.12225	5.0
223.13145	4.3
239.04153	4.0
263.19757	5.3
273.18454	16.8
291.19485	27.6
293.61990	3.8
298.34265	3.6
305.21030	12.9
312.29190	5.5
323.22168	16.9
372.30948	29.1
372.34625	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	372.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01860	2.7
56.81514	1.5
56.96572	1.8
57.03441	29.4
61.02932	14.7
65.98838	1.7
69.03438	30.4
70.06577	4.8
70.41638	4.7
71.01387	2.3
72.08154	2.5
73.02510	4.1
73.02922	68.0
73.04768	2.4
80.70616	1.9
81.03436	5.7
83.64719	2.2
85.02911	100.0
86.09703	3.1
87.04475	3.8
87.85545	1.8
91.03918	4.0
91.05429	2.6
97.02897	54.4
98.97578	3.8
99.04458	4.6
103.05507	2.2
107.04967	17.6
109.02882	7.6
115.03943	34.9
116.98666	3.0
119.04958	2.9
121.15643	2.0
127.03925	31.4
127.66058	2.1
129.58881	1.9
132.06610	2.2
133.05013	11.4
135.08023	3.2
136.06206	11.0
137.05975	9.0
145.04974	67.1
147.04445	9.6
150.07666	3.0
157.05046	2.1
163.03943	4.7
163.06042	33.6
163.07561	13.3
167.05775	2.2
167.07022	10.9
171.64322	2.2
195.10239	6.7
223.06076	4.9
223.11845	12.6
241.07094	6.5
259.08258	6.7
295.10254	4.4
356.06915	2.3
372.20288	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	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33585	1.7
53.03948	3.9
55.01884	4.2
55.05513	10.6
56.96556	3.7
57.03435	2.0
57.07054	1.8
59.04993	6.9
65.03931	4.7
67.05175	3.5
67.05508	48.7
69.07064	10.3
69.74908	10.1
71.05000	9.7
75.13850	1.7
79.05494	32.8
81.03413	7.7
81.07063	60.4
82.07384	2.0
83.04965	6.7
83.08627	4.3
85.06532	14.1
91.05496	16.4
93.07048	35.0
95.04971	40.1
95.08612	8.6
97.06541	14.2
97.10178	3.3
99.08107	27.8
105.07039	8.9
107.04958	29.2
107.08595	21.1
109.06524	22.2
109.10165	5.2
112.07553	2.0
113.05958	2.4
117.07021	12.0
119.08580	22.8
121.06515	7.1
121.10147	46.2
123.08067	6.4
123.93600	1.9
125.05989	25.3
125.09603	3.1
127.07556	10.2
129.07014	4.7
130.06531	1.8
131.08560	11.3
133.10117	5.5
134.90587	1.7
135.08072	4.5
135.11707	25.6
137.05989	17.5
137.09650	3.0
139.07561	2.7
141.09149	2.6
143.08537	3.8
145.06483	3.4
145.10120	39.2
147.08031	6.6
147.11710	2.8
149.09607	6.2
151.07544	2.2
155.08600	6.7
157.10101	5.2
159.11761	2.6
161.09607	5.9
163.11179	38.6
172.94273	2.5
173.09644	20.5
177.09196	2.0
177.12712	1.7
191.10655	16.3
195.13794	13.3
205.12216	5.6
223.13316	20.9
227.16415	100.0
241.14380	4.2
255.15907	7.5
267.64731	1.7
273.18521	22.6
277.21616	2.3
305.11868	2.4
305.21124	77.2
313.16629	3.9
319.22763	5.8
331.17615	9.2
337.23657	9.6
349.18890	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	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	7.8
58.05662	0.2
67.05504	1.3
69.07057	0.5
69.20053	1.7
69.20461	0.3
71.04985	0.7
71.95270	1.2
72.15805	0.2
72.47395	0.2
72.96054	0.2
79.05499	0.9
81.07056	1.1
83.08635	0.2
84.96025	0.4
91.05466	0.6
93.07047	0.7
95.04959	0.7
95.08604	0.9
97.96820	0.6
98.97594	1.8
99.08097	1.0
105.00149	0.3
105.07033	0.4
107.08568	0.4
109.06483	0.4
110.97572	2.9
112.99121	0.5
115.00710	0.2
116.98613	0.6
117.07039	0.3
119.08583	0.3
121.10168	0.5
123.08046	0.6
124.99138	0.2
127.00638	0.2
127.07607	0.4
128.98616	2.5
131.00169	0.8
131.08568	0.3
135.11768	0.2
137.02748	0.4
137.05951	0.5
139.00661	0.7
141.02235	0.2
143.00197	0.5
145.01736	0.2
145.10168	0.4
146.99684	1.0
147.08025	0.3
149.01187	0.4
151.00664	0.6
152.00192	0.2
153.02248	0.9
155.03847	0.3
157.01765	0.3
161.01247	0.4
163.11139	0.3
164.73961	0.2
165.02203	0.4
167.03810	1.0
169.01761	0.4
169.07118	0.2
171.03328	1.6
173.04788	0.2
175.02785	0.3
179.03784	0.2
180.00967	0.2
181.05357	0.6
183.03377	0.4
183.06911	0.2
185.03230	0.3
185.04877	3.9
187.06451	0.3
187.13240	0.4
189.04340	0.6
189.12712	0.2
191.05901	0.3
191.07518	0.2
192.01001	0.3
193.05434	0.2
195.07033	0.3
197.04912	0.5
199.06419	5.1
203.05925	2.8
205.01611	0.9
205.05525	0.2
205.07404	1.0
207.03035	0.2
207.06938	0.4
208.04138	0.4
208.06496	0.3
210.02029	0.6
211.02785	0.2
211.06432	0.8
213.07985	0.4
217.05386	0.3
217.07475	4.6
219.03305	1.2
219.08907	0.2
221.04820	0.3
221.06755	0.2
221.08620	0.3
221.22713	0.2
222.07962	0.5
223.02800	1.9
223.06403	0.6
223.08539	0.5
224.03572	0.2
225.04277	0.6
225.07904	0.5
226.05176	1.0
227.09399	0.3
229.07385	0.3
231.06944	0.6
235.06461	0.2
235.10103	0.4
237.04384	3.4
237.06720	0.2
237.07962	0.5
238.05051	0.3
239.05843	0.2
239.09554	0.4
240.09044	0.3
241.07445	0.4
249.07962	0.7
251.05991	0.4
251.09435	0.3
252.06645	0.3
253.11172	1.1
255.05350	0.3
262.08713	1.4
262.11078	0.3
263.09247	0.2
265.07516	0.3
267.09036	2.2
271.12314	0.4
273.18546	0.8
276.55954	0.2
277.11111	0.5
279.09061	0.8
279.12634	0.4
280.09811	2.7
281.10602	0.6
285.09875	0.4
289.14722	0.8
293.10529	0.5
293.13913	0.2
297.10150	0.5
298.10818	0.9
299.11670	0.5
305.21152	1.4
307.15750	1.7
313.15359	0.3
319.15939	0.3
319.22641	0.2
325.16644	0.3
331.15729	28.5
332.16162	0.5
349.16858	100.0
350.17224	1.5
367.17984	2.4
372.18484	15.2
373.18784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78373	0.4
55.01868	0.4
55.05500	1.4
56.05037	3.1
60.04530	4.9
60.76459	0.3
67.05230	0.3
67.05502	3.3
68.02594	0.3
68.04999	0.4
69.03401	0.6
69.07057	1.4
70.06596	1.6
72.04513	0.6
72.08146	0.4
72.20233	0.3
79.05503	2.0
80.05019	2.5
81.03414	0.4
81.07056	3.5
82.06560	0.9
83.08620	0.8
84.04509	3.5
84.08138	2.3
85.02901	1.2
90.05547	0.5
91.05469	1.2
93.07041	2.6
94.06566	5.2
95.08601	3.3
96.08128	0.9
97.02871	0.4
97.08910	0.4
98.09685	0.7
98.21457	0.7
98.97571	0.4
102.05514	0.4
103.05458	0.4
104.49084	0.3
105.07037	1.6
106.06543	0.4
107.04937	0.4
107.08596	0.9
108.08099	0.7
109.06517	0.4
109.10162	1.2
110.06044	0.6
110.09673	0.8
114.05515	1.0
117.06978	0.5
119.08601	0.7
120.08074	1.2
121.06539	0.6
121.10144	0.9
122.09649	0.4
127.03902	0.5
131.04967	0.3
132.06587	0.7
133.06502	1.0
133.10069	0.3
134.09637	1.2
135.11726	0.4
137.06007	1.0
137.09564	0.4
147.04332	0.4
147.11694	0.4
151.03871	0.7
161.05971	1.1
167.07072	1.9
177.05492	0.4
193.08607	3.3
208.20659	1.1
209.08014	0.5
210.22270	0.6
217.08585	0.5
220.20599	2.4
225.23288	0.4
232.20538	0.5
237.23308	2.5
238.21614	1.4
240.23242	0.9
246.22075	0.9
252.23169	0.9
253.22789	0.7
255.24319	8.3
258.22189	2.1
261.08969	0.6
263.24777	1.7
264.23386	0.5
265.26303	0.5
275.24841	11.3
276.23224	1.2
287.24933	0.5
293.25806	1.7
294.24176	0.5
297.25214	0.6
300.10037	0.3
311.26913	0.9
317.25986	0.6
329.27991	7.6
335.26907	0.7
339.12137	0.6
353.13928	0.9
353.27997	30.7
371.29044	100.0
372.29388	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38947	2.9
55.01865	8.7
55.05265	3.2
55.05516	45.2
57.03429	8.7
57.07070	10.7
59.04994	3.7
67.05178	5.2
67.05511	92.0
69.03431	3.6
69.07073	59.4
70.71661	2.9
71.04993	8.3
71.08639	21.7
71.55580	2.9
71.57989	4.3
73.64827	2.7
75.99978	2.8
77.03942	2.7
79.05495	46.4
81.07064	92.8
83.04971	8.0
83.08616	29.5
85.06544	8.4
87.45479	2.5
91.05462	17.5
93.07053	39.6
95.04964	3.3
95.08614	68.6
97.06525	10.0
97.10175	29.1
99.08096	23.7
105.07042	16.5
107.08611	38.4
109.09461	4.4
109.10163	49.8
111.08086	2.9
111.11688	2.6
113.09663	3.3
117.07024	8.1
119.08581	10.5
121.10148	12.8
123.08080	5.0
123.11703	21.1
125.09637	19.4
125.13276	3.0
131.08549	14.9
133.10124	8.7
135.08026	4.2
135.11711	27.2
137.09636	4.7
137.13278	10.2
145.10135	12.2
147.11710	16.9
149.13268	13.0
151.14825	4.9
153.12764	10.3
159.11688	5.1
161.13324	7.3
163.11201	4.2
163.14830	11.1
165.12717	7.4
173.11771	4.8
173.13223	4.6
174.56935	2.9
175.14806	3.6
177.12756	3.9
187.14827	5.2
189.11223	12.0
223.16980	3.1
227.12778	7.8
243.21126	10.6
245.13835	5.7
251.23596	2.7
261.22195	36.5
279.23224	80.8
303.30740	3.8
353.26926	100.0
354.27042	3.5
371.27713	12.6
372.34659	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38298	3.6
55.05506	9.2
56.05047	4.4
60.04531	4.9
67.05495	14.2
69.03426	15.3
69.07066	13.5
69.26381	25.1
69.26789	7.1
70.06595	12.4
71.04992	7.2
77.49048	3.3
79.05486	11.2
81.03430	7.7
81.07061	17.9
83.04998	19.9
83.08619	5.7
84.08145	6.8
85.02904	22.4
86.06102	3.5
86.09712	3.8
88.25446	3.2
91.05485	8.2
93.07046	16.1
95.04971	8.3
95.08617	29.0
97.06512	8.5
99.08100	9.0
105.07034	14.9
107.04924	4.3
107.08606	52.6
109.06515	10.4
109.10186	22.9
110.09740	3.7
111.04433	5.0
111.08095	6.0
113.09679	3.6
115.54983	3.7
119.04988	4.7
119.08598	11.6
120.08162	4.9
121.06546	5.7
121.10151	43.1
123.08098	7.3
123.11722	6.4
125.09621	21.2
127.03910	4.6
127.54099	3.6
131.08592	7.2
133.10159	14.0
135.08069	15.5
135.11685	4.6
137.09599	4.8
139.11172	5.5
142.43427	3.6
145.05014	4.7
147.11693	13.0
149.09612	13.8
149.13286	19.5
151.11189	100.0
157.06421	4.0
163.14825	10.6
165.12737	9.4
167.07053	15.2
173.13266	15.4
175.07515	3.9
191.14320	97.8
193.08626	3.8
197.05814	4.2
209.15373	85.1
217.08591	3.9
271.80893	3.9
353.24820	11.0
371.13657	5.9
371.25906	23.0
372.23642	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03923	1.0
55.01867	1.9
55.05507	2.0
57.03426	3.3
59.05011	1.2
61.02915	3.6
64.84829	0.9
67.05495	2.2
69.03431	13.5
69.07050	3.1
70.02991	3.6
70.06587	4.7
71.04993	1.4
72.08149	2.1
73.02917	1.0
79.05479	3.9
81.03427	8.3
81.07047	6.9
83.04972	2.1
83.08620	1.4
84.08128	2.4
85.02908	30.0
86.09709	1.2
87.04420	1.0
91.03947	1.6
91.05472	2.2
93.07053	2.8
94.06544	1.2
95.04951	3.3
95.08596	5.1
97.02376	1.1
97.02903	12.2
97.06516	1.8
98.97577	1.8
99.04464	1.9
105.07016	4.3
107.04976	2.2
107.08615	6.2
109.02876	3.2
109.06516	5.5
109.10149	3.1
116.07071	1.3
116.52671	0.9
119.08591	2.3
120.08112	2.6
121.06485	1.0
121.08433	1.4
121.10154	9.2
123.04470	0.9
123.08082	4.9
123.11671	2.9
127.03912	5.9
129.06975	1.0
131.08583	2.2
133.10104	2.2
135.08041	1.7
135.11679	1.5
137.05963	3.3
137.09613	6.6
137.13316	1.0
145.04955	7.6
147.11665	2.2
147.71190	0.9
149.09631	5.5
149.13271	4.3
151.11189	32.8
161.05992	1.5
165.05464	1.0
165.12759	45.0
165.14143	2.2
167.07047	9.2
173.13226	1.9
175.07593	1.6
187.07629	1.5
191.07042	1.0
191.14290	5.8
192.07867	1.1
193.08470	1.1
193.15927	2.5
209.15373	100.0
210.15755	1.6
217.08501	4.5
226.06258	1.0
234.06998	1.3
238.98141	0.9
249.09146	1.1
261.09058	1.4
277.08633	1.1
281.11676	1.4
285.07336	1.7
300.09894	1.7
309.11035	2.8
321.11121	1.3
353.13718	2.6
367.51581	0.9
371.15564	1.3
371.28952	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24652	4.0
55.01867	7.6
55.05512	30.8
56.96558	7.0
57.07062	5.7
60.04525	11.3
67.05505	25.3
69.03423	15.8
69.07070	15.1
70.06583	18.4
71.04981	10.4
71.57487	8.2
72.08164	10.3
76.07088	3.7
79.05503	19.5
80.05005	5.7
81.03423	12.7
81.07070	36.2
83.04983	28.8
83.08595	14.8
84.04488	7.5
84.08141	11.1
84.70378	4.2
85.02905	17.7
86.09718	6.7
91.05458	21.6
93.07060	25.3
94.06551	4.3
95.04951	14.7
95.08619	42.3
96.08130	5.7
97.02910	8.2
97.06513	18.8
98.09715	5.4
98.97581	5.4
100.11257	20.9
105.07011	24.1
105.24356	4.1
107.04931	8.5
107.08593	38.3
109.06512	16.7
109.10167	28.7
111.04465	12.5
111.08067	11.3
116.07082	7.9
116.98611	4.9
119.04934	8.1
119.08577	15.5
120.08113	8.1
121.06508	8.5
121.10145	49.3
123.04421	13.9
123.08050	7.7
123.11680	4.9
125.09651	14.0
126.09194	5.3
127.03854	4.9
128.07104	6.5
129.06984	5.7
131.04967	6.5
131.08669	9.3
133.06485	4.4
133.10127	15.8
135.04427	7.5
135.08041	16.1
135.11717	13.9
136.07555	5.3
137.05995	7.3
137.09636	9.9
139.11157	4.2
140.32388	4.3
141.31844	4.2
143.11685	4.2
145.10117	10.9
146.08093	8.5
147.04408	5.6
147.11703	10.3
149.09619	13.8
149.13261	23.2
151.03920	8.5
151.11197	98.1
153.09152	5.7
161.06020	5.9
161.13339	4.4
163.11163	4.7
163.14806	14.7
165.12723	10.2
167.07027	27.8
173.13249	18.8
175.07605	5.4
182.15454	9.1
187.07478	11.1
191.07045	5.3
191.14317	100.0
192.07794	8.4
193.08620	5.7
209.11592	4.4
209.15358	86.0
210.14856	7.3
225.16000	7.7
227.12740	8.6
253.15395	7.2
281.11414	6.1
289.22833	4.4
353.25037	16.9
354.22687	11.3
371.16455	10.7
371.26056	67.3
372.23785	52.9
372.27896	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	371.1492
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
53.03931	3.7
55.01853	4.8
55.05510	6.6
56.96568	4.5
67.05490	12.1
68.73590	2.7
69.03432	4.2
69.07063	5.7
70.06580	6.3
71.04990	5.0
71.57106	3.7
72.08160	6.4
79.05490	22.5
81.03403	4.7
81.07059	14.2
83.04969	3.7
83.08603	4.2
85.02886	7.7
85.06544	3.9
91.05469	18.8
93.07058	6.9
94.04169	2.8
95.04945	8.7
95.08608	5.1
97.06531	14.3
99.04411	4.0
105.07017	6.3
107.04960	24.2
107.08580	5.6
109.06476	6.0
109.10178	4.5
115.05433	7.6
117.06938	3.9
119.04934	3.4
120.08144	3.2
121.00697	2.7
121.06478	3.4
122.03657	9.1
123.04436	49.4
123.08060	4.5
124.05247	3.8
127.03903	3.7
128.06213	6.0
129.07011	14.8
131.04965	5.4
131.08543	12.1
133.02974	3.0
133.06477	6.2
133.10132	5.9
135.04417	7.9
137.05983	100.0
141.06981	3.2
144.05652	8.2
145.06488	5.4
146.07166	2.9
147.04420	8.8
147.08032	3.0
147.11665	2.4
149.06012	4.9
151.03885	4.0
151.07477	6.4
155.08542	5.7
156.05728	23.5
157.06467	10.4
159.08035	17.2
161.05939	9.3
163.03969	5.4
163.11176	4.0
165.05521	14.3
165.06766	3.8
167.07053	60.9
169.02531	4.8
169.06403	3.0
172.05107	4.0
173.05931	6.6
174.06744	7.3
175.07536	16.8
177.05441	6.2
178.07744	4.0
179.07069	4.3
181.06436	6.1
184.05255	5.4
185.06055	4.0
187.07552	25.1
189.05505	5.7
189.07043	2.9
189.09169	5.9
190.07780	3.4
193.08600	6.1
193.10237	3.5
195.08075	4.7
197.05936	4.4
199.07524	4.0
202.06212	8.8
202.07843	4.3
203.08560	11.3
205.06490	5.0
205.08565	9.7
206.07315	7.9
207.09921	3.2
209.09883	4.0
211.07547	5.5
215.06865	4.4
215.08675	5.9
217.06546	4.9
217.08594	69.2
218.07300	11.4
219.08084	7.4
219.10135	5.4
220.08817	4.2
221.09619	11.1
224.04739	6.2
226.06261	4.1
231.06332	3.8
231.08215	4.6
233.09735	15.5
234.06706	7.4
235.07658	13.3
239.07045	30.9
241.08682	14.0
242.05650	6.9
246.06865	5.3
247.07620	4.6
247.09703	37.6
249.09087	22.0
250.06531	2.7
250.09991	4.7
250.12541	5.8
251.07132	6.2
252.07861	8.5
256.06961	3.6
257.08093	7.8
260.08289	3.2
261.09045	27.1
262.06256	6.0
262.09769	4.4
263.07050	13.4
264.07596	5.5
265.08618	5.5
266.09314	6.9
269.08121	6.8
271.06058	10.8
276.07706	3.4
277.08582	18.2
278.09485	16.7
278.12097	2.7
279.06476	5.4
279.10031	4.1
280.07239	4.5
281.11749	8.5
281.14673	3.2
285.07571	79.9
286.08145	5.1
289.08560	8.1
291.06464	3.7
291.09918	4.6
293.08548	6.1
293.11716	19.9
295.09689	7.1
299.09238	4.5
300.09937	79.2
301.10638	16.0
306.08881	7.9
307.09656	8.5
309.11081	20.5
311.08752	4.0
313.10782	13.0
321.11243	40.7
322.11890	4.3
323.09219	7.9
326.11288	16.0
327.12109	3.2
338.11447	6.9
339.12143	8.3
341.13641	14.8
353.13791	60.5
371.14801	42.8
371.25818	4.8
389.21106	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53290	1.7
60.04523	2.4
65.84980	2.0
67.05503	5.1
69.03419	4.1
69.07083	2.5
70.11631	8.4
71.04993	3.3
79.05503	10.2
81.07061	5.7
83.08588	2.7
85.02899	3.6
91.05472	12.2
93.07038	2.6
94.04187	4.3
95.04963	4.9
95.08591	3.6
97.06523	7.3
98.97577	3.5
100.15038	1.9
105.07012	5.6
107.04957	15.5
109.06500	3.3
111.04469	2.4
115.05460	3.9
117.07051	3.2
119.04919	2.0
119.08578	2.4
121.06509	2.5
122.03638	9.6
123.04431	6.4
125.05906	2.5
128.06238	4.5
129.07034	11.7
131.04930	3.6
131.08575	14.7
133.06511	2.8
135.04425	2.5
137.05981	100.0
141.06985	4.3
144.05707	9.1
145.06465	4.9
147.04324	2.4
151.03941	4.2
151.07576	4.4
156.05684	22.6
157.06525	4.7
158.07300	2.6
159.08044	17.7
159.25638	1.9
160.05196	2.1
161.06026	3.4
165.05505	4.1
167.07066	44.5
169.06438	3.4
169.07704	2.7
172.05154	4.0
173.05943	3.3
174.06772	4.8
175.07610	10.6
177.05440	5.6
178.07823	3.0
179.07025	2.3
184.05267	3.8
186.06731	4.6
187.07536	26.4
189.07150	4.8
189.09106	8.6
190.07780	2.9
193.08615	5.8
196.05234	2.6
197.92935	2.3
198.06790	3.8
199.07494	3.1
201.09178	2.4
202.06238	8.2
202.07906	3.0
203.08606	7.3
205.06639	3.2
205.08620	5.5
205.10358	2.6
206.07263	7.6
207.08093	4.0
210.03160	2.0
211.07545	4.8
215.07028	5.8
215.08653	5.4
217.08600	74.0
218.07237	12.0
219.08046	7.2
219.09993	3.6
221.09726	9.3
223.07498	2.8
224.04759	3.0
226.06154	4.2
227.06990	2.7
231.08083	7.7
232.08853	4.1
233.06039	3.1
233.09593	13.0
234.06821	9.1
235.07657	9.9
236.08368	3.2
237.05531	2.0
239.07063	19.5
241.08595	13.7
242.05702	3.8
243.08339	2.2
246.06721	3.4
247.07431	7.0
247.09589	20.5
248.08260	4.8
249.09099	20.8
250.09891	3.7
251.07011	5.4
252.07864	9.2
256.03610	2.5
256.07416	2.1
257.08173	9.1
260.08307	6.0
261.09085	23.0
262.06268	3.4
262.09717	3.0
263.06989	12.0
265.08633	5.8
266.09464	6.4
267.10254	2.4
269.08038	6.4
271.05991	6.5
275.06937	2.3
276.07785	2.8
277.08612	19.0
278.09265	14.1
279.06644	5.4
279.10184	4.0
280.07483	4.2
281.11676	6.8
283.09793	3.9
285.07581	58.1
286.08136	2.8
289.08667	10.1
290.09503	3.3
291.06543	3.0
291.10034	3.3
292.07312	2.4
292.10751	4.0
293.08221	6.1
293.11728	19.3
294.08832	3.3
295.09793	5.3
298.08173	4.0
300.09906	62.7
301.10721	16.7
305.08243	2.2
306.08908	4.8
307.09601	8.2
309.11127	23.4
311.09091	4.8
313.10678	10.0
321.11212	33.0
322.11868	4.7
323.09100	8.2
325.10574	2.0
326.11472	18.3
338.11462	7.3
339.12469	4.8
341.13834	18.9
343.15448	2.4
353.13834	63.1
353.25122	5.3
371.14880	31.6
371.25690	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	370.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85786	2.2
55.05502	4.9
57.07095	16.7
58.06589	2.3
59.74284	2.3
62.06077	3.6
67.05495	3.3
69.07103	2.7
71.08642	15.4
71.57205	3.2
81.07055	4.4
85.10176	7.6
89.06039	9.6
91.05479	5.7
93.07069	5.3
95.08612	4.0
109.10160	4.0
121.06494	15.7
133.08609	3.4
133.10162	2.9
165.09113	7.6
171.12061	3.0
190.71817	2.5
202.21783	3.5
207.19792	2.6
215.49014	3.1
227.12781	23.1
230.24918	3.2
233.02402	2.4
246.51802	2.8
262.05389	2.9
370.40451	100.0
371.25922	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	370.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.5
69.75828	100.0
91.05470	25.5
95.08637	23.7
119.08615	22.0
121.10176	20.7
133.38731	19.1
220.42786	22.5
239.61339	20.8
247.50543	20.6
270.75439	22.0
275.20178	22.0
289.36871	20.6
300.12067	21.0
370.40305	65.8
389.22400	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01857	4.7
55.05512	28.4
57.03434	5.7
57.07074	7.4
65.03938	3.8
65.08073	3.7
65.11691	4.2
67.05173	5.8
67.05506	65.6
69.07074	46.9
71.08604	4.4
78.54976	3.3
79.05490	34.4
81.03426	5.1
81.07059	100.0
83.04959	5.7
83.08615	17.3
91.05487	35.6
93.07056	47.3
95.04957	19.0
95.08610	94.0
97.06531	23.5
97.10149	10.5
105.07020	35.0
107.08614	30.1
109.06522	8.5
109.10172	29.0
111.08082	6.4
111.44211	4.6
117.06998	14.1
119.08597	37.9
121.06469	8.0
121.10133	30.7
123.08039	8.3
123.11713	8.4
131.08566	21.4
133.10158	34.7
135.11716	14.7
137.09605	10.2
145.10132	15.4
145.53391	3.9
147.11676	20.4
149.09608	6.6
149.13295	4.6
151.44867	3.7
157.10109	5.4
159.11687	11.6
161.13232	12.0
163.14838	6.4
173.13261	11.4
175.14806	7.3
187.14806	12.7
191.14368	5.3
209.15370	22.6
216.16167	4.3
223.16972	16.9
235.16876	6.8
241.18022	6.9
275.23740	7.0
285.22113	5.7
302.75504	4.7
303.23190	64.2
317.24765	6.0
335.25876	5.8
351.16110	4.1
370.28564	4.8
370.40436	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	370.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11446	42.2
63.40087	43.6
70.25185	40.9
70.56377	46.7
71.08173	67.3
71.08528	100.0
73.77634	42.5
73.78525	44.2
87.02776	50.9
198.56824	45.5
209.63625	52.4
273.83200	48.4
289.09982	57.0
309.72610	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47945	16.8
55.01871	23.7
55.05497	55.5
57.03441	25.8
67.05514	100.0
68.05814	17.9
69.07066	37.1
71.01095	41.5
71.08639	22.8
72.37087	18.3
78.10275	14.9
78.60184	16.2
79.05472	50.1
80.05835	19.7
81.07047	83.7
83.08610	33.8
91.05474	53.6
93.07038	73.1
95.08604	35.1
97.06528	31.9
105.07024	59.8
107.08591	38.6
109.10149	28.4
119.08553	50.0
121.10162	33.6
133.10170	24.1
135.11682	23.9
136.12047	18.2
137.09604	27.9
143.08557	20.3
159.11784	21.0
169.98228	20.1
179.14331	45.4
180.14684	52.3
185.13206	17.5
203.14519	23.3
267.32562	20.8
275.19907	36.2
278.21994	39.4
289.18051	21.0
289.21503	18.6
329.14319	30.8
352.25543	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54269	1.4
53.03932	3.5
55.01858	6.1
55.05511	51.3
56.05043	1.7
57.03436	2.8
57.07083	2.0
58.06600	3.3
59.05014	1.7
65.03937	1.9
67.05502	28.3
68.05008	1.6
69.03419	6.7
69.06720	2.8
69.07069	37.4
70.61186	4.4
71.04986	2.0
79.05494	28.0
80.05018	13.7
81.03445	2.0
81.05807	1.6
81.07056	27.2
82.06564	3.3
83.04977	6.0
83.08623	32.6
85.06539	2.4
91.05478	18.8
93.07053	19.3
94.06574	11.7
95.04952	2.3
95.07362	2.3
95.08609	13.8
97.06525	4.5
97.10175	60.7
98.09687	2.4
98.10472	1.4
98.97575	2.5
100.23985	1.4
101.09640	1.9
105.07028	23.0
106.06603	2.4
107.04949	2.7
107.08600	37.4
108.08115	5.2
108.65587	1.5
109.06519	2.8
109.10139	8.1
110.09651	2.3
111.08092	2.2
114.09161	10.6
117.07003	5.7
119.08602	11.3
120.08099	1.7
121.10162	11.3
125.09633	53.1
131.08543	4.3
132.10217	21.4
133.10130	14.5
133.38815	1.4
134.09625	2.7
135.08035	4.4
135.11720	2.7
142.12234	3.4
143.08566	2.1
143.10684	3.2
145.10121	4.3
147.11671	8.4
148.11151	2.1
149.09602	5.8
150.12772	2.9
153.09077	3.6
157.10173	2.0
159.11681	6.1
161.13257	4.4
163.11172	1.7
171.10155	6.8
171.11517	2.3
173.11890	1.6
173.13243	1.6
176.14304	1.9
181.12215	1.8
189.11220	67.1
189.12933	3.5
189.63174	1.6
203.60742	1.4
204.13858	5.2
222.14874	9.8
224.16382	1.8
257.18933	3.7
272.19980	1.9
274.21609	4.9
275.20062	38.2
276.20349	2.2
292.22723	100.0
293.20807	2.0
321.94870	1.5
330.06622	1.6
352.24850	8.1
370.26044	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36709	0.1
53.03934	0.1
54.03467	0.1
55.01843	0.1
55.05515	0.8
56.05040	1.0
56.96544	0.2
57.03426	0.2
57.07064	0.1
58.06580	0.4
58.63161	0.1
60.04530	3.9
65.03927	0.1
67.04232	0.1
67.05504	1.7
68.05002	0.4
69.03417	0.5
69.07071	0.5
69.26163	1.0
70.06596	1.5
71.04961	0.1
72.04496	0.3
72.08142	0.2
74.06054	0.2
79.05495	1.3
80.04580	0.1
80.05018	1.7
81.03404	0.4
81.05808	0.1
81.07069	1.5
82.06586	2.0
83.04964	0.1
83.08598	0.3
84.04508	0.4
84.08149	2.4
85.02877	0.4
85.06516	0.1
86.06059	0.3
86.09680	0.2
90.05559	0.1
91.05486	1.0
93.05761	0.4
93.07043	1.3
94.06571	5.6
95.04954	0.3
95.07373	0.1
95.08611	1.4
96.08138	2.1
97.02869	0.2
97.06497	0.4
97.08917	6.4
97.20890	0.1
98.06034	0.1
98.09700	1.5
98.21507	0.2
98.97557	0.2
99.04384	0.1
102.05514	0.1
105.07033	1.3
106.06567	0.7
107.04935	0.1
107.07298	0.2
107.08617	0.7
108.08119	1.4
109.02856	0.1
109.06507	0.1
109.08826	0.1
109.10107	0.4
110.06032	0.1
110.09683	9.5
111.10464	0.5
112.11240	0.2
116.07070	0.4
116.98643	0.1
117.06998	0.3
118.06504	0.1
119.08565	0.5
120.08120	1.1
121.02824	0.1
121.06498	0.1
121.10116	0.5
122.09666	1.2
123.08069	0.1
123.10437	0.4
124.07622	0.1
124.11240	1.4
125.06019	0.1
127.03885	0.1
129.06940	0.2
131.08565	0.3
132.08060	0.4
132.44809	0.1
133.10091	0.7
134.09650	1.6
135.10381	0.1
135.11635	0.2
136.11209	1.1
137.05968	0.1
137.11984	0.3
138.12769	0.7
145.06493	0.1
145.10112	0.4
146.09651	0.3
147.04398	0.3
147.10541	0.1
147.11679	0.2
148.11172	0.6
149.05971	0.1
150.12776	0.9
151.07594	0.1
152.14336	0.4
154.15926	0.1
159.11755	0.1
160.11180	0.3
161.09662	0.5
161.13309	0.1
162.12776	0.5
163.03839	0.2
163.11171	0.4
164.14323	0.6
166.15915	0.5
172.11136	0.1
174.12755	0.4
175.07629	0.1
176.14351	2.2
178.15904	2.4
179.10687	0.4
180.17477	0.6
188.14288	0.1
189.09087	0.2
190.15900	0.3
192.17493	1.4
194.19022	0.6
204.17418	0.5
206.19049	0.4
207.06418	0.1
208.20584	0.8
216.17509	0.5
218.19011	0.5
219.18713	0.1
220.20618	1.1
221.20119	0.3
222.18535	0.4
222.22169	1.5
223.21661	1.1
224.20099	0.5
228.17514	0.2
230.19072	0.4
231.18761	0.1
232.20694	0.6
234.18581	0.1
234.22156	0.4
235.21718	0.8
236.20100	0.4
237.23248	0.4
238.21672	1.5
244.20535	0.4
246.22273	0.2
247.21727	0.9
248.20076	0.5
249.23293	0.4
250.21669	5.5
251.24828	1.2
253.22717	0.8
256.20630	0.7
259.09641	0.1
261.23264	17.3
262.21609	1.7
262.23898	0.1
263.24911	0.7
264.23337	0.2
265.08499	0.1
265.22543	0.1
268.22903	0.1
271.21652	0.3
273.23251	8.1
274.21533	1.1
277.22943	0.1
279.24326	4.5
280.22684	0.3
281.25787	0.2
289.14481	0.2
289.22766	0.2
291.10150	0.2
291.24335	3.6
292.22696	0.7
294.08817	0.1
307.15140	0.2
309.11246	0.2
309.25363	11.7
310.23401	0.2
319.09674	0.1
327.26459	1.2
333.25308	0.2
337.10727	1.4
338.11200	0.1
339.12112	0.1
351.26492	1.2
369.27481	100.0
370.27835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.2
57.15721	0.4
60.04525	2.2
66.61837	0.4
67.05521	0.4
67.23860	0.3
69.74545	0.3
70.06596	0.6
71.15246	0.7
72.04511	0.7
74.17196	0.3
74.65838	0.4
81.07058	0.6
82.06575	0.9
84.04504	1.4
84.08147	1.0
90.05529	0.5
91.05489	0.6
93.07021	0.5
94.06572	1.8
95.08613	0.4
96.08141	1.0
97.08908	3.7
98.09692	0.7
107.08517	0.5
108.08154	0.4
110.09673	5.4
110.30347	0.3
111.10469	0.3
114.05544	0.4
115.29498	0.3
120.08086	0.4
122.09658	0.4
123.10497	0.4
124.11271	0.9
134.09618	0.5
148.11107	0.5
159.11626	0.4
176.14371	1.4
177.05487	0.6
178.15924	2.2
192.17497	0.8
194.19034	0.4
208.20618	1.3
218.19011	0.6
223.21725	1.3
224.20122	0.5
238.21687	4.1
241.45067	0.4
249.23262	0.9
250.21645	3.4
251.25075	0.3
253.22777	7.4
256.20578	0.6
261.23245	3.9
263.24933	0.8
266.21304	2.0
273.23273	6.6
274.21674	1.7
279.24356	0.6
289.22803	0.4
291.24323	4.4
292.22693	1.0
303.24368	0.6
309.25571	0.9
315.24313	0.9
327.26419	18.1
333.25388	1.8
351.26443	20.3
369.27496	100.0
370.27615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10666	1.3
53.03952	8.2
54.01025	1.3
55.01878	14.3
55.05515	57.3
56.07877	1.5
56.96559	4.5
57.03183	2.2
57.03441	25.7
57.07071	8.3
59.04988	2.3
60.14501	1.3
62.94798	1.3
65.03929	2.9
67.05507	100.0
69.03440	7.2
69.07072	68.2
69.88315	7.1
70.06583	1.7
71.04988	11.0
71.08281	1.9
71.08636	20.1
78.14306	1.8
78.37439	1.3
79.05495	51.7
81.03425	13.6
81.07061	81.7
83.04251	1.4
83.04993	13.8
83.08620	35.3
85.02911	9.8
85.06530	6.3
91.05486	39.8
93.06477	3.4
93.07049	51.9
95.04967	13.0
95.08610	44.0
97.02900	4.4
97.06534	15.5
97.08900	3.0
97.10179	19.0
98.97587	2.0
99.04456	3.1
99.08094	19.9
103.05473	2.2
105.07037	41.0
107.04949	3.5
107.08602	29.5
109.02869	5.2
109.06544	9.1
109.10162	41.7
110.09676	2.0
111.08078	11.7
111.11731	3.1
113.09660	2.4
117.07008	7.5
119.08588	27.3
121.06535	3.1
121.10145	23.1
123.08050	9.8
123.11703	8.6
125.09642	16.4
127.03928	7.1
129.07031	7.2
131.08556	8.9
133.06512	2.0
133.10130	24.0
134.87476	1.5
135.08055	2.2
135.11688	17.7
137.05902	1.9
137.09602	9.0
139.11192	12.2
141.09084	1.8
143.08565	3.5
145.10118	7.5
147.04427	4.1
147.08054	2.5
147.11705	29.0
149.09697	3.2
149.13263	13.2
151.11174	16.8
153.07033	1.8
153.12796	2.0
155.10674	2.9
157.06549	2.3
157.10097	4.1
159.11690	5.7
161.09621	9.7
161.13246	11.3
163.11234	9.9
163.14874	3.3
165.12759	13.4
167.10652	1.9
167.14366	2.7
169.06445	2.2
171.04509	2.2
171.08078	1.6
171.11676	7.1
172.94348	2.9
173.06010	3.3
173.11778	19.2
173.13206	2.7
175.11215	2.0
175.14835	5.4
177.05539	1.8
177.12700	2.0
179.10634	4.4
179.14307	7.1
181.12251	3.7
185.05972	7.1
185.13235	3.3
187.03934	1.9
189.11218	10.4
189.12737	3.0
189.16394	1.8
190.95418	3.3
193.12236	2.9
197.05969	3.1
199.03941	3.4
199.07458	2.0
200.04688	2.5
201.05533	8.1
207.13901	7.8
207.15556	1.7
208.96483	1.7
213.05479	42.0
217.07593	2.5
225.05603	3.4
226.06203	2.3
227.03294	1.4
227.07062	5.1
227.12837	4.1
229.14323	10.4
231.21156	4.8
232.96475	3.8
239.07048	3.1
241.07417	2.7
241.19456	5.9
249.22127	7.0
250.97441	2.2
253.08664	2.3
253.22733	7.1
259.08630	6.1
259.20493	10.1
269.17484	2.0
273.23230	2.2
277.21649	63.6
278.21948	2.3
286.24780	1.6
295.13403	1.8
295.22632	15.3
298.48434	1.5
309.14929	7.9
322.96075	1.6
325.25839	2.9
337.14349	27.1
351.14328	4.2
351.18225	4.2
351.25394	21.5
369.15985	17.3
369.20023	6.8
369.26431	89.0
370.26611	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01869	5.1
55.05517	37.2
57.03446	11.9
57.07069	7.8
59.05000	2.7
59.48768	1.8
65.03939	3.8
67.05509	100.0
69.03423	2.8
69.07076	26.5
69.75992	11.5
71.05002	3.3
71.08627	6.6
75.10918	1.8
76.49492	1.6
79.05499	45.7
81.03420	4.2
81.06580	3.4
81.07059	65.8
83.04972	6.0
83.08619	19.4
85.06547	4.9
91.05495	29.1
93.06469	3.0
93.07054	54.8
95.04969	5.9
95.08608	43.2
96.94203	1.6
97.06524	7.6
97.10181	26.1
99.08083	5.3
105.04519	2.0
105.07037	29.7
107.08601	53.2
109.06546	5.4
109.10162	64.2
111.08111	3.3
116.40357	2.0
117.07022	8.2
119.08601	22.8
121.06512	2.0
121.10149	24.4
123.08062	5.5
123.11711	6.9
125.09644	21.8
129.07016	4.4
131.08588	10.3
133.10146	19.5
135.08084	3.5
135.11699	31.0
137.09615	2.2
141.08994	2.0
143.08571	8.0
145.10135	11.9
147.11708	16.9
149.13260	14.2
151.11211	8.0
153.09068	2.7
157.10159	4.8
159.11693	11.2
161.09584	1.8
161.13356	9.1
163.11119	3.8
163.14819	4.3
167.36137	1.9
169.10114	2.2
171.11691	4.9
172.94365	2.2
173.11736	6.2
173.13280	5.9
175.14899	5.6
177.12773	2.4
179.14285	10.2
181.12276	2.8
185.13248	5.7
187.14841	3.5
189.11247	16.2
189.12723	3.6
190.95363	3.2
193.15858	3.6
195.13823	2.4
199.14801	4.0
201.16316	2.8
207.17502	1.9
227.12790	15.4
229.14371	2.5
230.13919	1.8
231.21022	2.6
232.96458	5.9
235.17041	2.2
241.19499	9.6
245.13881	11.0
253.22757	2.7
259.20572	23.6
277.21652	63.9
277.24734	3.9
293.37180	1.9
333.24289	2.5
351.25406	59.4
369.23969	9.0
369.27258	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.4
55.01868	7.3
55.05516	31.0
57.03428	6.3
57.07079	4.2
67.05508	82.3
69.07079	24.9
71.05002	4.2
71.08644	36.1
71.57027	4.9
79.05496	66.7
79.72879	3.0
81.03396	4.3
81.07059	67.3
83.04977	9.3
83.08622	20.4
85.06544	5.5
91.05483	37.5
93.07043	77.8
95.04971	10.7
95.08607	43.4
97.06538	11.3
97.10179	11.4
99.08108	27.0
105.07042	27.2
107.04956	8.2
107.08595	46.8
109.06512	4.3
109.10159	43.1
113.09621	4.1
117.07016	5.5
119.08611	21.3
119.32644	3.8
121.10170	39.2
125.09631	9.6
129.07019	3.4
131.08571	11.4
133.10103	23.0
135.11696	44.3
137.09630	4.3
143.08530	5.5
145.10130	11.6
147.11679	14.2
149.13278	17.2
151.11186	19.7
159.11664	8.7
161.13260	12.1
163.11176	5.2
166.07564	3.6
173.11778	4.1
173.13263	4.6
177.12753	6.4
179.14319	100.0
189.11218	4.9
227.12816	5.6
241.19543	5.2
256.62012	3.2
259.20718	15.8
277.21646	82.1
285.10254	3.3
351.25323	84.9
369.23911	8.2
369.27853	4.8
390.97864	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46592	1.6
53.03945	6.7
55.01867	9.6
55.05511	43.4
56.96550	2.5
57.03434	10.7
57.07071	5.7
59.04989	2.3
65.03937	2.8
67.05507	100.0
68.05833	2.6
69.03437	8.5
69.07070	27.6
70.42148	4.3
70.42500	2.6
71.04988	6.3
71.08640	10.4
79.05496	65.4
81.03419	12.2
81.07060	72.3
82.07384	5.3
83.04977	10.7
83.08624	26.3
85.06525	6.7
91.05479	37.8
92.05824	2.3
93.07045	51.6
95.04967	19.5
95.08051	2.7
95.08612	32.5
97.06533	8.4
97.10173	31.0
99.08092	8.4
101.09691	1.6
103.41584	1.8
105.04537	2.8
105.07028	33.4
107.04952	3.1
107.08600	42.9
109.06511	6.1
109.10164	34.4
111.08073	5.4
113.09655	3.6
115.05459	3.2
117.07024	12.1
119.08585	22.2
121.06534	3.2
121.10145	18.7
123.08081	4.3
123.11717	5.9
125.09638	24.9
128.06203	2.5
129.07025	9.3
131.08571	15.9
133.02856	4.0
133.10129	19.4
135.08054	5.5
135.11713	19.5
137.09633	2.7
137.13257	2.2
139.11140	2.1
141.06981	2.6
143.08588	5.5
145.10141	8.3
147.08066	2.6
147.11697	18.5
149.09627	2.4
149.13260	11.6
151.07574	3.3
151.11191	14.2
157.06465	1.9
157.10127	7.2
159.04263	2.0
159.11696	7.4
161.02312	5.0
161.09581	2.7
161.13292	10.5
163.03952	2.1
163.11191	4.6
163.14836	5.5
165.12823	4.8
171.10236	4.0
171.11702	6.0
172.94406	6.2
173.02359	6.1
173.11755	5.9
173.13263	5.1
175.11200	7.1
175.14835	7.8
176.11955	12.4
177.12798	3.1
179.14345	4.7
181.12245	2.1
185.06036	2.7
185.13280	3.3
187.03918	21.2
189.11229	31.9
189.12744	2.9
190.95377	5.8
193.15863	2.5
195.13847	3.1
199.03925	6.4
199.14795	2.5
201.05481	2.3
207.13773	3.8
213.05481	13.6
221.15407	2.5
225.05470	7.5
227.07153	2.0
227.12759	22.8
229.14369	1.8
231.21005	2.7
232.96501	5.0
239.07027	5.7
241.19516	5.4
245.13831	14.7
250.97479	3.4
253.08514	2.0
253.22772	2.2
259.20602	13.8
269.17542	5.8
277.21628	73.6
278.21899	2.1
319.13120	2.4
320.31924	1.8
337.14420	13.6
351.18759	2.3
351.25314	60.8
369.16898	5.6
369.24765	12.2
369.26395	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01874	3.7
55.05265	3.3
55.05513	45.2
56.60054	2.0
57.03436	18.0
57.07067	12.2
65.03926	4.3
67.05507	100.0
69.03426	3.7
69.06794	2.4
69.07073	26.9
69.58588	17.0
71.04996	6.0
71.08610	6.5
71.57346	2.1
73.21465	2.2
79.05493	57.5
81.03403	2.2
81.07062	75.8
81.91690	2.2
82.89481	2.1
83.04982	7.2
83.08208	2.6
83.08627	26.2
85.06533	5.9
85.10138	2.0
91.05488	26.2
93.06481	3.4
93.07043	56.9
95.04958	7.0
95.08049	3.5
95.08616	47.2
95.09232	3.2
97.06516	6.1
97.10169	30.8
99.08110	5.5
105.07031	31.5
107.08602	61.7
109.06521	5.6
109.10161	66.2
111.08035	4.3
111.11707	2.8
113.09647	2.4
117.07011	9.6
119.08600	24.0
121.06532	2.8
121.10145	31.4
123.08060	4.4
123.11710	7.3
125.09619	18.2
129.06992	4.3
131.08597	16.2
133.00510	2.4
133.10136	27.8
135.08047	3.9
135.11700	30.4
137.09607	3.7
137.13206	3.5
139.81367	2.3
143.08580	5.9
145.10118	13.6
147.11707	22.7
149.09590	4.2
149.13274	13.5
151.11174	7.0
157.10097	8.7
159.11703	8.3
161.13254	8.9
163.11154	4.1
163.14790	3.7
163.50951	2.4
169.10179	2.4
171.11743	7.7
172.94324	4.5
173.11757	5.5
173.13268	9.3
175.14862	6.3
177.12711	5.1
179.14316	10.0
183.11699	3.1
185.13258	8.5
187.14854	4.2
189.11243	17.9
189.12744	4.7
193.15855	3.1
199.14825	4.2
205.15854	4.1
207.13812	4.0
227.12772	12.0
231.21057	3.5
232.96463	8.5
241.19498	12.3
245.13693	4.3
250.97800	3.6
259.20575	25.3
277.21643	69.4
281.19135	2.1
295.22665	2.7
351.25317	74.0
369.23764	7.3
369.27737	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01877	13.7
55.05516	68.9
55.05785	3.8
55.18560	1.6
56.96562	5.8
57.03442	26.8
57.07084	8.0
65.03944	3.1
67.05509	76.9
68.05846	1.7
69.03433	5.1
69.07076	34.0
71.05000	6.1
71.08632	43.4
71.17240	3.1
75.84132	1.5
79.05499	42.0
81.03424	6.5
81.07063	100.0
83.04993	14.7
83.08624	52.9
85.06557	5.2
85.10193	4.9
91.05486	41.2
91.06013	3.4
92.00101	1.5
93.07047	39.6
95.04965	14.7
95.08611	45.0
97.06542	16.5
97.10191	7.3
98.97626	2.2
99.08100	39.2
105.07040	40.5
107.04969	4.7
107.08603	24.6
107.11967	1.5
109.06532	8.6
109.10160	21.1
111.08091	22.4
113.09650	8.5
117.07044	7.1
119.08596	29.5
121.06557	3.7
121.10159	24.1
123.08099	6.0
123.11736	14.4
125.09664	5.6
127.11157	3.0
129.07031	7.1
131.08580	7.9
133.06538	2.5
133.10139	24.0
135.08069	2.2
135.11713	13.8
137.06015	2.6
137.09659	4.5
137.13310	1.8
139.11214	6.5
143.08604	4.7
145.10147	8.7
147.11696	41.1
147.12781	3.2
149.09680	5.6
149.13269	20.3
151.11232	12.5
155.08591	1.9
157.10187	6.9
159.11763	5.3
161.13257	12.2
163.11240	5.6
163.14919	3.0
165.12776	28.0
165.14114	2.0
167.14384	4.2
171.11754	4.6
172.94394	5.6
173.11804	4.0
173.13258	3.1
175.11226	5.0
175.14871	3.0
176.44487	1.7
177.12785	2.0
179.14334	13.4
185.13312	3.3
189.11296	2.1
190.95471	3.6
193.12337	3.7
207.13744	2.3
221.15511	1.8
225.28516	1.6
229.14388	3.9
231.17612	1.9
231.21170	5.8
232.96536	5.9
241.11104	2.8
241.19583	4.8
249.22240	7.2
250.97681	4.2
259.18326	1.7
259.20621	10.7
269.10727	2.0
276.20340	2.7
277.21631	68.3
278.22079	2.4
295.22638	16.4
322.96133	1.9
331.13440	2.0
334.85828	1.6
351.25385	18.8
369.26514	97.3
370.26694	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
55.01875	14.9
55.05516	44.3
56.96571	11.4
57.03434	19.7
57.07082	6.6
60.04534	3.6
65.03948	3.7
67.05511	100.0
68.05855	3.0
69.03445	2.8
69.07075	35.8
69.31373	10.8
69.31794	11.0
71.05009	12.0
71.08640	25.6
79.05499	64.6
80.44386	2.5
81.03430	7.6
81.06586	4.8
81.07065	86.5
83.04997	12.3
83.08630	23.5
85.02921	3.0
85.06561	7.9
90.84737	2.6
91.05490	42.6
93.07049	70.3
95.04984	17.3
95.08614	47.2
97.06538	19.7
97.08992	2.6
97.10191	14.8
98.97603	4.1
99.08086	23.5
105.07031	28.5
107.05000	3.7
107.07883	4.0
107.08596	50.1
107.09289	3.4
109.06552	9.1
109.10159	41.5
111.08120	6.2
113.05956	2.7
117.07058	9.1
117.34223	2.6
119.08588	21.1
121.06487	3.1
121.10155	28.5
123.08091	7.2
123.11736	8.4
125.09667	13.9
126.34531	2.5
129.07054	6.3
131.08626	11.6
133.10133	21.8
135.08095	3.6
135.11700	27.9
137.06021	3.5
137.09651	5.4
139.11249	4.9
142.98048	4.0
143.08653	6.4
145.10158	10.7
147.11682	22.0
149.09686	2.8
149.13254	17.6
151.11192	32.1
155.10666	2.8
157.10193	7.5
159.08044	3.0
159.11736	10.2
161.13229	16.9
163.11230	11.3
165.12819	8.5
171.11771	5.4
172.94394	6.9
173.11787	16.2
173.13312	8.4
175.11223	6.3
175.14890	7.3
177.12837	3.9
179.14383	10.0
185.13229	4.7
187.14894	5.2
189.11272	9.6
189.12798	3.7
190.95477	9.0
195.13872	7.1
199.14912	4.0
203.14595	2.7
208.96404	4.9
213.08107	2.5
214.95488	5.3
221.15237	3.2
227.12778	6.1
229.07607	4.8
229.14438	9.2
231.03354	2.8
231.08984	2.3
231.21088	3.4
232.96396	12.7
241.19568	11.5
245.13924	7.4
247.08629	4.5
250.97610	7.2
253.18010	3.4
259.20569	18.0
262.93863	3.8
269.17606	9.7
277.18436	6.4
277.21619	78.1
295.21945	5.4
309.26318	5.1
322.96136	3.3
347.15387	3.4
351.25388	62.5
369.27457	26.2
392.21893	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47513	2.6
53.03938	10.1
55.01862	10.5
55.05270	2.9
55.05514	51.7
56.96560	11.0
57.03438	22.8
57.07066	12.0
65.03944	5.2
67.05508	100.0
69.03423	4.3
69.07067	36.4
69.65619	6.2
69.66022	13.1
71.04984	9.2
71.08636	58.4
79.05495	70.5
81.03423	17.8
81.07059	87.1
83.04983	13.7
83.08623	24.9
85.06534	7.2
85.10168	4.2
91.05482	51.6
93.06470	5.1
93.07044	74.0
95.04976	23.8
95.08614	47.9
97.06541	13.2
97.10167	20.8
98.21484	5.3
98.49740	2.5
99.08098	47.1
105.07034	34.8
107.04965	6.3
107.08613	45.8
109.06479	10.0
109.10153	33.9
111.08048	5.9
113.06039	3.9
113.09630	7.0
115.05405	4.0
117.07040	16.0
119.08599	25.6
121.06506	6.3
121.10151	27.1
121.75700	2.8
123.08086	8.6
123.11702	8.9
125.09666	19.7
129.06979	8.5
131.08592	15.9
132.81065	3.0
133.10123	26.1
135.08037	3.6
135.11674	18.2
137.09619	4.7
137.13243	3.7
139.11180	3.5
143.08556	6.3
145.10098	11.5
147.11665	19.9
148.61032	2.6
149.09656	4.0
149.13249	18.5
151.11189	58.3
153.12749	3.8
156.99348	2.9
157.10170	5.5
159.11702	9.4
161.02373	6.0
161.13303	20.6
163.03902	3.2
163.11185	15.8
163.14767	5.2
165.12750	17.6
171.11737	6.9
172.94290	6.5
173.11729	20.1
173.13205	5.9
175.11241	6.2
175.14812	8.4
176.11946	11.0
176.98558	3.0
177.12733	9.3
179.14336	18.6
185.13275	5.7
187.03944	16.4
189.11246	25.8
189.12726	5.0
190.95444	4.0
195.13824	7.2
199.03941	4.1
201.05443	4.3
207.13741	3.6
213.05495	7.3
217.19588	5.1
225.05467	4.5
227.12793	20.1
231.21123	4.7
232.96400	9.8
239.06963	4.8
241.19505	6.8
245.13843	15.9
253.18037	11.5
259.20514	12.5
269.10730	4.2
269.17447	18.8
277.21619	97.7
295.22714	26.2
337.14493	12.8
351.18701	3.6
351.25305	68.1
362.35507	2.6
369.13272	3.3
369.17487	4.2
369.26682	29.9
380.90460	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2427
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
51.16122	3.3
53.03946	4.7
55.01886	8.8
55.05510	25.6
56.96571	7.7
57.03437	4.6
57.07079	10.5
59.46039	3.5
67.05504	51.4
69.03425	7.3
69.07084	18.6
71.05003	18.6
71.08640	10.1
72.81182	3.8
75.25403	3.3
78.67091	3.6
79.05492	40.9
81.07057	45.8
83.04984	14.0
83.08626	14.6
85.02917	6.5
85.06543	28.3
87.04504	4.0
91.05485	39.2
93.07046	41.6
95.04972	79.1
95.08595	34.9
96.08962	4.0
97.06522	19.9
97.10136	9.8
99.08094	12.6
105.07029	49.4
107.08601	44.6
109.06518	23.0
109.10151	29.2
111.08099	8.2
113.05997	8.3
113.09688	4.3
115.05450	4.4
117.07022	16.6
119.08575	52.4
121.06484	8.4
121.10159	24.3
123.08048	20.3
123.11717	10.5
125.09605	7.3
128.06262	9.1
128.17316	3.6
129.06998	15.7
130.07790	6.6
131.08580	44.5
133.06467	4.7
133.10141	38.1
135.08066	32.7
135.11710	17.2
137.09610	21.2
141.06946	8.0
142.07767	14.0
143.08589	27.6
145.10107	35.9
147.04440	5.6
147.08026	12.3
147.11700	24.7
149.09610	22.2
149.13289	6.3
151.07559	5.3
151.11183	14.9
153.09128	4.6
155.08577	15.0
155.10661	5.2
156.09384	11.4
157.10135	46.5
159.08061	11.1
159.11703	31.6
161.09616	37.0
161.13237	9.0
163.11267	6.9
165.07036	6.0
165.16205	3.6
167.08604	8.3
168.09373	4.7
169.10156	17.8
170.10954	5.6
171.07944	4.4
171.11700	23.7
172.94363	15.4
173.09669	18.3
173.13202	17.8
175.11189	14.3
177.09189	4.5
177.12779	4.5
179.08519	9.4
179.14186	4.7
180.09337	4.2
181.10141	9.3
181.82687	4.1
182.10883	5.4
183.11655	28.3
185.09709	6.0
185.13271	17.4
187.11206	11.8
189.11263	5.4
189.12775	14.5
190.95445	12.9
193.10181	8.5
194.10901	5.9
195.11763	20.6
197.09636	5.5
197.13307	22.2
199.11136	6.3
199.14870	7.3
201.12688	5.7
203.14394	8.2
206.11034	4.3
207.11710	17.4
207.13774	7.3
209.13257	23.2
211.11130	8.3
211.14862	11.1
213.12758	8.7
213.16406	4.0
215.10730	5.4
215.14389	11.0
219.11540	4.6
220.12503	5.0
221.13246	11.2
221.15381	13.1
223.14847	19.0
225.12712	5.5
225.16396	10.3
227.14343	6.6
232.96492	16.3
233.13284	7.1
233.15424	7.1
235.14827	13.0
241.15875	10.6
245.13446	4.9
246.14049	5.7
247.14789	9.2
249.16418	4.4
250.97498	7.8
251.17900	9.0
253.15918	6.7
253.22775	12.2
255.17519	6.3
262.78497	4.1
265.15918	9.1
267.17435	15.1
269.15375	9.0
269.19016	16.2
275.17932	11.3
277.21683	17.2
281.18945	7.7
291.21014	5.7
293.19012	15.0
295.16931	6.4
307.93881	4.2
309.22177	9.3
311.20084	16.6
327.22919	4.7
333.22104	15.3
351.22769	46.0
369.19458	6.3
369.23917	100.0
370.24371	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	369.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01864	5.1
55.05511	7.4
57.03444	4.9
57.07066	1.3
60.37510	0.8
60.92418	0.7
67.05507	9.8
68.05842	0.7
69.07079	6.1
69.38539	3.5
69.38969	2.1
71.08640	0.8
79.05491	9.2
81.03426	1.2
81.07058	29.2
82.07396	1.2
83.04978	4.9
83.08627	2.4
83.32602	0.6
91.05480	6.9
93.07035	7.2
95.04966	1.7
95.08606	8.6
97.06521	2.6
97.08916	1.0
101.09612	1.0
105.07030	5.2
107.04933	1.0
107.08599	5.7
109.06511	11.6
109.10175	4.1
110.09706	1.0
111.04445	17.7
111.05204	1.1
111.08078	1.7
117.07061	0.9
119.04910	0.9
119.08609	5.8
121.06448	1.1
121.10147	5.8
123.08092	3.5
123.11722	2.2
125.05999	6.9
129.07048	1.3
131.08572	2.7
133.10129	6.1
135.08041	3.4
135.11699	4.5
137.05980	100.0
137.09605	1.7
137.13213	1.6
139.07576	0.8
143.08537	1.4
145.10146	2.3
147.04410	3.2
147.08012	2.1
147.11694	7.9
149.09645	5.0
149.13243	1.7
151.07568	2.5
151.11209	2.3
157.10106	1.6
159.11694	0.9
161.09639	6.3
161.13324	1.9
163.11201	3.0
165.09096	2.1
165.12743	1.1
167.10732	1.5
169.89874	0.8
171.11664	1.7
172.94424	1.5
173.11693	0.7
175.11194	5.3
175.14850	1.7
177.09129	1.1
177.12762	0.7
179.10661	3.0
189.11195	0.9
189.12784	1.1
190.95406	2.1
193.12263	1.7
203.17961	7.3
205.19556	0.8
213.16463	2.4
221.18997	1.8
231.17444	8.5
232.96454	2.0
241.15842	1.7
243.93721	0.7
249.18507	13.7
250.97528	1.0
253.22797	1.0
277.17999	87.1
278.18289	1.0
295.19083	10.2
337.14410	1.1
351.21634	12.3
351.25662	1.5
369.22833	7.2
369.27283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58195	1.3
51.02377	2.3
52.51406	1.3
53.03942	13.2
55.01875	2.8
55.05511	21.1
56.96557	1.8
57.03426	4.2
57.07071	1.4
57.97875	1.4
61.02925	1.8
65.03926	2.7
65.85265	1.4
67.05505	51.1
69.03428	18.9
69.07074	16.3
70.06604	2.6
71.04982	5.4
71.08617	2.3
71.57164	1.5
73.02908	2.5
73.06583	2.2
79.05492	84.0
80.05019	1.3
80.05795	1.9
80.44004	1.4
81.03420	34.3
81.06583	2.3
81.07059	41.7
82.66935	1.3
83.04987	9.6
83.08619	7.6
85.02906	39.8
85.06538	2.8
88.39298	1.5
91.05485	69.6
92.67369	1.4
93.07046	100.0
95.04969	18.4
95.08616	17.1
97.02887	14.8
97.06525	10.3
97.10142	2.5
98.73312	1.5
98.97581	1.3
99.04459	6.8
99.08058	2.4
101.05991	1.6
103.05441	1.9
105.04507	4.0
105.07037	52.5
107.04976	4.4
107.08604	15.5
109.02882	25.4
109.06506	6.7
109.10136	5.1
111.04468	1.3
111.08079	2.6
112.52946	1.3
113.02115	1.3
115.05458	3.3
117.07056	11.7
119.08587	26.2
120.08111	1.2
121.06485	3.9
121.10136	5.1
123.08062	6.1
127.03912	50.9
127.07544	3.1
128.06235	3.5
129.07004	23.5
130.07791	1.3
131.08583	5.0
133.06494	1.9
133.10114	13.1
135.11667	2.6
141.09129	1.5
143.08559	15.0
145.04967	3.1
145.06523	1.8
145.10130	15.4
147.04346	2.4
147.08022	5.3
147.11688	65.2
156.09404	1.9
159.11716	1.9
159.53717	1.3
161.09660	9.6
161.13251	14.9
163.11147	3.7
169.09775	2.8
171.11697	50.7
172.94308	1.5
184.50616	1.4
189.12766	23.7
201.05460	2.5
207.13799	63.5
213.05431	5.7
225.14857	2.3
227.07036	2.7
232.96477	2.8
233.96478	1.4
253.08835	1.4
253.22783	5.3
272.18463	1.5
277.21579	2.9
309.14618	1.8
315.15610	1.7
325.25562	5.4
337.14371	7.6
351.18097	9.6
351.26083	1.7
362.24658	1.6
369.17383	2.8
369.27853	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	4.6
55.01869	4.7
55.05512	24.5
57.07060	3.8
60.08155	5.4
64.87855	3.7
67.05508	34.1
69.07080	22.6
71.04994	7.7
71.57459	6.7
79.05499	18.3
81.07063	63.2
83.04984	8.9
83.08615	11.8
85.35360	3.4
91.05494	21.2
93.07074	25.9
95.08620	100.0
97.06540	11.1
97.10177	4.6
105.07040	29.3
107.08603	14.0
109.10152	6.4
111.08148	6.3
119.08593	48.9
121.10152	8.8
123.08057	9.1
129.09160	3.7
131.08575	6.4
133.10144	24.6
135.08009	4.4
135.11676	11.1
137.13275	9.5
143.08562	6.2
145.10143	5.3
161.13264	79.5
179.14342	81.7
207.13719	6.8
211.16974	16.2
234.98538	4.0
301.21655	12.8
319.22702	8.4
333.24121	4.7
368.42612	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	369.1183
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.29260	0.6
66.67982	0.6
69.03428	1.0
69.25542	0.5
69.25848	6.2
71.00144	0.6
85.02884	1.5
89.03919	8.1
91.05447	0.6
117.03386	22.8
134.03717	1.2
135.04398	0.8
145.02853	55.9
147.04404	1.0
149.05984	8.7
177.05478	100.0
178.05766	1.3
206.06192	0.6
253.22569	0.9
351.26300	1.3
369.27512	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	368.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	25.4
71.57645	25.2
78.90123	14.8
81.07037	20.9
82.95212	14.0
95.08628	23.3
100.11260	100.0
104.22203	14.9
104.81758	16.1
105.07085	12.7
142.12247	28.4
187.92238	14.4
189.28589	14.2
244.46889	16.2
368.42697	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56757	2.7
53.79773	2.6
55.01872	5.0
55.05502	5.0
57.03438	17.7
62.62115	3.4
67.05511	20.8
69.07058	3.4
70.18163	11.0
71.04994	4.7
79.05482	12.8
81.07060	16.7
81.76767	3.3
83.08605	4.8
85.06542	25.0
91.05489	13.2
93.07034	11.5
95.04966	41.4
95.08611	6.8
97.06527	3.0
105.07018	6.6
107.04947	3.6
107.08559	7.6
109.06519	31.2
109.10101	3.3
113.05231	5.3
113.06013	100.0
117.07036	4.3
119.08579	5.9
121.06516	3.8
121.10175	4.2
131.08571	6.8
133.06476	3.7
133.10118	4.6
135.08073	25.3
143.08606	3.8
145.10115	7.7
149.13153	2.9
159.11723	3.1
161.09654	4.3
174.48570	3.3
195.13806	3.5
217.15915	7.9
233.15388	4.0
255.17558	3.0
273.18405	27.2
291.19537	92.0
305.21225	23.4
323.22256	4.3
360.14557	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	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.1
57.57590	7.0
60.04531	10.5
62.36632	6.0
67.05499	43.2
69.07051	13.1
69.62605	39.2
70.19328	5.6
79.05508	31.7
81.07064	32.8
83.08624	7.7
85.61101	6.6
87.88037	5.3
90.53014	6.3
91.05479	19.0
93.07034	20.6
93.92757	6.5
93.97507	6.7
95.04973	64.8
95.08622	23.7
98.21494	9.4
100.11262	100.0
105.07039	13.2
107.08612	21.6
109.06544	37.6
109.10163	9.0
112.56133	5.3
121.10147	7.7
131.08575	13.9
133.10143	10.6
135.08049	16.5
142.12276	27.9
143.08557	14.7
145.10162	8.0
147.11731	8.3
147.12840	6.9
149.09633	9.4
149.13222	8.5
161.09665	6.6
222.15771	8.4
269.60077	5.9
273.18527	66.2
277.21713	18.4
291.19592	11.3
305.21127	70.0
308.25888	16.3
332.26620	6.9
350.27802	30.9
368.28134	39.2
368.50732	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38010	32.9
67.05508	39.8
70.95931	70.1
70.96234	35.4
81.07066	68.9
91.05491	52.2
93.07040	100.0
95.04958	37.5
95.08579	51.4
105.07026	57.4
106.07392	43.4
107.08574	57.0
109.10142	53.2
112.31637	37.8
119.08578	59.8
120.08955	41.1
121.10180	54.0
129.07024	38.7
132.08929	36.5
133.10181	60.3
139.36847	34.5
145.10074	72.2
158.10519	43.5
161.09554	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	25.4
71.57645	25.2
78.90123	14.8
81.07037	20.9
82.95212	14.0
95.08628	23.3
100.11260	100.0
104.22203	14.9
104.81758	16.1
105.07085	12.7
142.12247	28.4
187.92238	14.4
189.28589	14.2
244.46889	16.2
368.42697	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98885	15.4
59.25537	14.3
64.12947	18.7
69.07050	17.3
71.22163	32.8
91.05493	100.0
93.07075	21.0
108.08105	23.2
109.10167	19.1
368.35275	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.4
55.01883	0.3
55.64690	0.3
57.03442	0.5
61.02936	0.8
62.06559	0.2
64.22887	0.3
69.03425	2.2
69.88969	0.5
69.89386	0.8
81.03429	0.9
85.02914	5.9
87.04469	0.3
89.59991	0.2
91.03992	0.5
97.02906	1.6
98.20692	0.3
109.02899	0.7
112.80069	0.2
127.03923	1.3
132.04454	5.5
142.22920	0.3
143.79756	0.3
145.03033	0.2
145.04994	1.3
147.04433	0.5
160.03998	0.8
178.05013	58.0
179.05310	0.4
188.03534	0.4
206.04501	100.0
207.04886	1.3
337.90738	0.3
368.09784	0.7
386.61484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51088	0.9
52.96452	0.9
53.03956	2.1
55.01868	3.7
55.05511	15.5
57.03432	2.3
58.06616	5.1
58.37806	1.0
60.04531	18.4
65.03956	1.1
67.05509	15.1
69.03429	4.2
69.07076	13.3
69.32550	9.9
71.05000	8.4
72.04514	1.7
79.05500	16.5
81.03428	2.1
81.07067	16.0
83.04972	2.0
83.08631	10.2
84.08149	7.4
85.06536	3.3
86.09711	21.6
88.07622	3.5
88.52217	1.1
91.05488	8.1
93.07056	14.3
94.06561	1.3
94.07349	1.3
95.04969	5.1
95.08624	7.1
96.08124	2.9
97.06532	3.7
97.10184	14.5
99.08132	1.0
100.07637	2.1
105.07058	5.7
107.04955	2.1
107.08598	10.4
108.08165	1.0
109.06519	4.3
109.10150	3.2
110.06023	1.9
111.08066	1.7
112.07618	24.1
113.06029	1.8
114.09220	1.7
117.07022	4.1
119.08575	4.8
121.06532	1.9
121.10162	6.4
122.09675	6.2
123.08098	3.7
124.07585	1.3
125.09666	12.5
126.09177	1.4
128.10725	23.8
131.08545	5.9
133.10126	3.8
135.08072	4.2
135.11707	2.9
136.11203	1.6
137.09612	2.1
138.12759	4.9
143.08563	1.5
145.10127	2.5
147.08041	1.3
147.11642	2.3
148.11188	2.1
154.07574	1.2
154.08635	8.3
156.10283	1.3
159.11714	1.9
159.37886	1.2
163.11163	1.8
171.10164	1.7
172.09711	9.1
177.12677	1.9
180.13867	11.9
187.11252	1.7
189.11171	7.8
221.15390	1.9
222.14961	1.0
223.13264	4.2
232.06133	1.1
239.55702	1.1
241.14413	1.3
255.17548	1.3
263.20306	1.3
268.15414	1.3
272.20148	2.4
273.18484	6.6
276.20364	1.5
290.21158	8.5
291.19547	6.1
308.22116	11.4
309.17429	1.3
327.18472	2.0
332.22269	1.9
350.23270	25.2
368.24350	100.0
369.24625	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.05508	34.2
57.07080	7.4
59.05002	6.5
67.05504	40.6
69.07061	24.9
69.48875	36.7
71.04977	6.9
79.05486	40.5
81.07063	54.1
83.04963	5.9
83.08611	9.7
85.06057	6.3
85.06542	24.6
88.17484	6.2
91.05483	53.7
93.07046	66.9
95.04424	6.2
95.04967	27.2
95.08614	60.8
97.06537	15.6
103.05456	6.5
105.07041	100.0
107.08586	49.9
109.06522	10.9
109.10159	40.7
117.07014	21.2
119.08605	71.4
121.06493	6.5
121.10149	71.1
123.08115	6.7
123.11688	9.2
128.06200	7.8
129.06998	16.1
130.07803	11.0
131.08603	49.6
133.10147	51.5
135.08110	15.4
135.11693	25.0
137.09601	11.6
139.00549	5.9
142.07774	13.2
143.08580	34.8
145.10132	50.9
147.08044	8.8
147.11678	22.6
149.09657	11.3
155.08597	11.1
156.09351	9.6
157.10150	34.1
159.08102	9.3
159.11742	39.0
161.09648	32.9
161.13266	10.9
169.10149	14.7
171.11755	15.2
172.31175	7.8
173.13261	22.6
175.14792	19.1
179.08493	9.5
182.10971	9.0
183.11691	21.4
185.13301	16.7
187.14873	17.9
195.11752	10.6
197.13246	18.6
199.14787	10.2
209.13298	14.3
211.14896	8.7
227.14389	13.0
239.17961	9.5
253.83136	6.4
257.18973	7.6
275.20090	16.5
349.24814	8.5
363.53436	7.2
367.21988	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
54.83558	2.8
55.05522	21.0
57.07066	12.2
59.04977	3.3
65.03931	3.6
67.05168	4.2
67.05504	37.6
69.03407	6.4
69.07067	20.2
70.81464	6.3
71.04989	8.5
79.05492	32.1
79.98439	2.7
81.07059	48.5
83.04966	4.7
83.08610	9.3
85.06584	3.3
91.05481	59.4
93.06474	5.5
93.07047	91.9
93.07631	6.1
93.98827	2.6
95.04979	32.3
95.08614	60.9
97.06533	18.5
105.07040	91.9
107.04955	4.1
107.08595	56.5
109.06510	13.0
109.10165	41.9
111.08115	3.7
115.05463	6.5
116.06180	5.2
116.18985	2.7
117.07007	20.7
119.08585	100.0
121.06539	13.7
121.10149	51.7
123.08053	6.4
123.11719	18.5
125.75318	2.6
128.06200	13.3
129.07028	13.3
130.07780	9.1
131.08575	67.0
133.06566	2.7
133.10139	53.9
135.08041	19.8
135.11691	19.3
137.09644	7.9
141.07042	8.0
142.07770	24.0
143.08578	42.0
144.09346	8.2
145.06476	4.8
145.10124	64.0
146.07327	6.8
147.08060	9.9
147.11736	21.7
148.94415	2.8
149.09612	14.6
149.13243	3.7
155.08549	10.7
156.09364	15.1
157.10135	55.8
158.10886	6.5
159.08035	4.7
159.11693	36.4
161.09625	56.8
161.13220	14.7
163.11214	6.8
166.10582	2.7
167.08577	6.1
168.09315	4.7
169.10112	21.4
170.10916	6.7
171.11696	27.9
173.09587	10.9
173.13245	25.4
175.11205	7.9
175.14841	22.5
179.08556	8.2
180.09361	5.6
181.10117	8.9
182.10910	5.3
183.11693	28.7
184.12529	4.2
185.09564	4.4
185.13263	20.1
187.11264	3.5
187.14827	15.5
189.12694	2.9
193.10188	4.4
194.10904	10.6
195.11719	9.6
196.12503	4.9
197.13246	20.6
199.14876	13.9
201.12714	4.9
201.16318	7.9
203.14082	2.7
207.11717	4.0
209.13254	24.9
210.14017	5.1
211.14862	9.2
213.12692	6.8
213.16447	4.5
215.14307	4.1
221.13284	5.2
223.14780	5.7
225.16278	7.4
227.14362	18.7
229.15938	3.2
235.14706	3.1
237.16441	6.6
239.18025	8.8
255.17494	7.9
257.19122	4.3
269.18921	4.6
349.25244	9.8
367.26456	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	367.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91516	0.3
55.01854	0.4
55.05509	0.6
55.46672	0.3
56.05037	1.7
57.03431	0.3
60.04264	0.4
60.04531	5.3
67.05508	1.5
68.05031	0.5
69.03439	0.6
69.07052	0.7
70.06600	3.2
71.56803	0.5
72.04517	0.6
72.08158	0.6
79.05504	1.9
80.05005	1.0
80.05779	0.3
81.03437	0.3
81.07061	1.7
82.06593	1.8
84.04501	1.7
84.08152	3.1
85.02909	0.5
86.06071	0.4
86.09699	0.9
90.05543	0.5
91.05487	2.7
91.61811	0.3
93.07061	1.9
94.06576	2.8
95.08598	0.7
96.04530	0.5
96.08146	2.2
97.02889	0.4
97.06546	0.4
97.08924	4.7
98.09692	1.1
98.97578	1.0
105.07023	1.0
106.06532	0.5
107.08602	0.8
108.08127	1.0
109.10142	0.4
110.06024	0.7
110.09692	10.4
111.04449	0.3
114.05539	0.7
117.06969	0.3
119.08593	0.9
120.08120	1.6
120.08821	0.3
121.02861	0.3
121.10156	0.4
122.09657	1.6
123.10444	1.2
124.11231	2.1
129.06972	0.3
129.10287	0.6
131.08562	0.8
132.06610	2.1
133.10161	0.8
134.09657	1.2
136.07587	0.8
136.11209	2.2
137.07916	0.4
137.11974	0.3
138.12787	0.8
143.00162	0.3
145.10109	0.4
147.04430	0.5
147.11626	0.3
148.11185	1.3
150.12805	2.4
152.14392	0.5
154.12332	0.4
162.12791	0.4
164.14355	3.1
174.12808	2.2
176.14386	1.1
178.15903	2.0
188.14319	0.5
190.15955	1.1
192.13823	0.3
192.17441	0.7
194.19044	0.6
204.17464	0.3
222.18640	0.5
224.37442	0.3
233.19977	0.3
234.18489	0.3
235.21857	0.3
236.20120	2.9
247.21703	0.3
248.20105	1.6
251.21210	4.6
259.21768	1.2
261.23294	0.3
264.19635	1.4
266.21048	0.6
271.21732	2.1
272.20160	0.9
277.22708	0.9
289.22763	4.2
290.21191	0.9
290.99857	0.3
291.03528	0.4
301.22839	0.5
307.23804	2.3
313.22595	0.7
325.24872	12.6
331.23758	1.4
349.14102	0.4
349.20450	0.6
349.24835	18.2
367.25916	100.0
368.26306	1.9
389.47864	0.3
392.14319	0.3
392.51474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.5
55.05515	27.7
57.07071	14.4
60.64566	4.4
65.03930	7.9
67.05510	47.5
69.03410	10.0
69.07065	27.3
69.44984	5.6
70.92223	4.3
71.04968	4.6
79.05501	33.5
81.07056	50.8
83.04958	7.2
83.08609	8.6
85.06535	9.0
91.05486	63.0
91.10950	5.4
93.07050	84.2
95.04982	43.4
95.08615	66.2
97.06507	13.7
97.23133	4.9
100.11238	5.8
104.16312	5.2
105.07034	85.5
107.08603	57.7
109.06512	15.0
109.10156	51.4
110.92399	5.8
112.29773	4.8
115.05457	6.9
116.06305	4.3
117.07020	22.2
119.07792	8.9
119.08588	100.0
121.06536	10.9
121.10155	48.7
123.08086	8.2
123.11703	16.5
128.06215	7.0
129.07014	20.1
130.07768	9.2
131.08574	49.1
133.10141	58.8
135.08066	13.2
135.11717	19.7
137.09546	5.3
140.10704	13.5
141.11049	5.9
142.07799	20.2
143.08588	38.2
144.09340	12.2
145.10146	64.4
146.07260	7.8
147.08037	12.0
147.11650	27.4
149.09625	17.9
149.13269	7.5
155.08571	11.0
156.09364	12.7
157.10115	48.5
158.10968	10.3
159.08078	7.7
159.11722	37.1
161.09624	56.8
161.13252	10.1
163.11171	5.9
165.06961	5.0
167.08574	6.3
168.09239	7.6
169.10127	28.8
170.10892	7.1
171.11755	32.0
172.26123	5.6
173.13274	23.3
175.11220	8.7
175.14897	19.9
179.08586	10.6
181.10204	7.2
182.10826	8.2
183.11688	22.4
184.12448	6.6
185.13264	14.0
187.14821	18.9
189.05403	5.6
194.10846	9.9
195.11736	17.9
197.13252	20.6
199.11192	5.8
199.14807	11.6
201.12778	10.3
201.16368	5.8
209.13289	25.1
211.14844	6.3
213.12761	11.8
224.20004	6.6
227.14305	21.0
239.17857	6.6
251.18289	7.3
267.17676	5.9
275.20166	6.2
314.37817	5.1
349.25226	9.0
367.21973	7.7
367.26492	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03946	5.4
54.43006	1.8
55.01875	9.7
55.05512	22.0
56.96558	4.6
57.03435	9.2
57.07076	3.0
59.05005	2.0
65.03939	2.0
67.05508	41.2
69.03417	4.3
69.07074	20.6
71.04993	2.4
71.08636	14.1
71.57095	2.1
79.05495	30.8
80.05033	1.7
81.03410	3.9
81.07060	41.5
81.90395	1.6
83.04974	12.1
83.08617	11.3
85.06522	2.3
91.05488	29.7
93.07047	34.4
95.04987	9.0
95.08612	23.3
97.02888	1.6
97.06558	8.4
97.10165	9.2
99.08082	8.6
105.07043	26.6
107.04958	12.5
107.08595	23.4
109.06524	11.4
109.10159	14.7
111.08075	4.4
117.07043	11.0
119.08585	18.8
121.06507	7.4
121.10156	8.8
123.08059	3.3
123.11695	4.2
124.06435	1.5
125.09628	7.8
129.07005	3.7
131.00006	1.7
131.08592	18.8
133.06500	3.4
133.10144	19.3
135.08066	7.2
135.11670	6.6
137.09631	3.6
139.11168	5.3
143.08582	4.3
145.10120	16.2
147.08067	5.6
147.11691	9.4
149.09637	8.9
149.13258	3.9
151.11208	6.8
155.08557	1.7
157.10141	3.7
159.08044	1.9
159.11690	10.2
161.09702	4.7
161.13287	4.7
163.11223	6.6
165.12740	2.1
167.10657	1.8
169.10040	1.8
171.11731	3.8
172.12291	1.8
173.09700	1.6
173.11870	2.1
173.13264	6.4
175.11179	3.0
175.14856	2.3
177.12759	4.3
183.11737	2.4
185.13170	2.6
189.05469	1.8
189.11240	6.4
191.14304	3.8
197.13303	3.0
201.12781	2.2
219.13910	2.3
229.19559	2.3
239.18141	3.1
247.20532	4.4
257.19055	16.0
267.15747	1.8
269.10532	2.3
275.20065	100.0
276.20609	1.8
293.21072	38.7
296.01938	1.8
349.17355	2.3
349.23782	44.0
367.17871	3.5
367.24799	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	2.0
53.04117	1.1
55.01801	4.7
55.05438	14.6
55.05739	2.4
57.03363	9.2
57.03666	1.3
57.07013	1.7
59.04925	0.8
61.02845	4.0
65.03842	0.8
67.05424	20.2
67.05825	2.3
69.03342	3.2
69.03690	1.4
69.06983	19.0
69.76237	1.6
69.76653	3.0
71.04937	1.3
71.08548	20.7
71.08980	1.7
72.93724	0.8
73.02844	0.7
79.05408	16.8
81.03330	2.4
81.06969	19.9
81.07491	1.2
83.04891	5.0
83.08536	5.8
85.02811	4.1
85.06497	1.6
91.03870	3.0
91.05489	13.7
93.07044	15.6
93.07569	0.7
95.04962	5.6
95.08611	11.6
97.02796	2.8
97.06448	2.7
97.10168	6.7
99.08096	15.5
105.07035	12.3
107.04939	4.5
107.08598	12.5
109.02775	0.8
109.06519	3.7
109.10153	9.4
111.04360	0.8
111.08034	1.7
111.11628	1.4
117.07030	3.7
119.08601	4.3
121.06520	3.8
121.10159	5.3
123.08050	1.7
123.11672	1.5
125.09628	5.0
127.37602	0.7
129.06987	1.0
131.08582	4.7
133.10141	9.9
135.07974	2.5
135.11717	3.8
136.41281	0.8
137.09564	1.8
139.11093	2.7
145.10129	4.2
147.11610	2.9
149.09540	2.1
149.13158	3.3
151.11206	7.3
157.10112	1.7
159.11620	3.1
161.09563	1.3
163.11122	2.4
165.09021	0.9
165.12675	2.2
167.10683	3.4
169.12186	1.6
173.11751	0.9
173.13136	1.3
176.96848	1.1
177.12679	2.9
179.10643	1.0
183.11697	1.2
185.13202	1.0
188.00858	0.9
189.11234	3.7
195.13774	2.1
219.17485	5.1
227.12749	1.3
229.19443	1.4
247.20557	2.3
257.18958	1.1
265.21637	1.4
275.20068	14.1
293.21124	100.0
294.21387	1.5
299.90747	0.7
334.15182	0.7
349.23715	3.2
367.24872	54.5
368.25403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
54.16513	1.6
54.33812	1.8
55.01873	27.0
55.05260	2.7
55.05512	33.7
56.96559	5.7
57.03437	18.1
57.07060	3.2
59.05001	2.1
65.03941	4.1
67.05507	61.5
67.57626	1.4
69.03423	4.8
69.06723	2.7
69.07069	35.5
69.35468	5.0
69.35892	8.8
71.04986	5.5
71.08617	4.2
73.28760	1.5
74.13733	1.5
79.05491	64.8
80.86178	1.6
81.03411	6.2
81.07057	91.9
83.04979	11.1
83.08620	16.4
85.02897	2.0
85.06542	5.4
91.05478	47.7
93.07041	52.2
93.07626	2.8
93.46358	1.5
94.07368	2.1
95.04961	14.5
95.08607	41.2
96.08959	1.7
97.02860	1.7
97.06536	35.7
97.10181	9.8
98.20701	2.8
98.97588	5.9
99.08097	6.2
103.05492	2.8
105.07027	52.6
107.04957	19.6
107.08595	51.4
109.06526	14.9
109.10162	20.8
111.04465	2.3
111.08058	9.9
113.09663	2.1
116.98621	2.0
117.07021	17.3
119.08586	39.1
121.06520	6.9
121.10153	22.3
122.10525	1.9
123.08081	9.5
123.11689	7.8
125.09622	14.8
128.06175	2.3
129.06993	6.7
131.00220	2.1
131.07703	2.4
131.08574	22.0
133.10127	29.4
135.08057	8.8
135.11716	13.6
137.09610	5.6
139.11134	1.6
141.06938	2.5
143.08560	5.8
145.06485	2.3
145.10123	29.4
147.04373	4.0
147.08107	3.6
147.11696	27.7
149.01244	2.1
149.09624	29.5
149.13272	6.2
151.11205	3.7
155.08653	4.1
157.10048	4.1
159.11696	16.7
161.09601	2.7
161.13286	9.0
163.11186	13.3
163.14775	2.1
165.12767	6.0
169.10150	3.8
171.10335	2.5
171.11729	6.5
173.11955	1.8
173.13269	10.7
175.11244	3.1
177.12773	5.2
179.14267	3.8
181.12329	1.8
183.11763	2.6
185.13261	2.4
187.11261	3.1
189.11238	5.4
189.12752	1.7
195.13805	3.4
197.13263	3.0
199.14732	2.1
205.12234	1.9
215.18005	2.9
227.12773	5.0
229.07466	1.9
229.19522	6.6
239.17923	7.8
245.13872	4.5
247.20586	6.1
255.15900	3.6
257.19003	15.1
269.10556	3.2
275.20062	100.0
293.21167	17.0
321.05090	2.8
323.23267	4.1
349.23740	40.1
357.65955	3.1
357.99091	2.3
358.15808	3.0
367.17844	11.2
367.25058	47.8
368.24600	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01870	12.2
55.05261	2.2
55.05510	28.0
55.35673	1.2
56.96556	2.4
57.03439	23.1
57.07083	2.1
59.05003	2.2
65.03928	4.5
67.05503	87.7
69.03426	5.5
69.07068	38.2
70.95822	2.3
71.04985	7.4
79.05490	50.1
81.03413	5.8
81.07056	100.0
83.04967	11.2
83.08610	15.4
85.02908	1.4
85.06545	5.0
86.09668	1.3
87.50973	1.2
90.41676	1.2
90.94617	1.4
91.05480	36.2
93.07042	43.6
95.04978	15.1
95.08604	48.2
97.06528	20.4
97.10165	8.6
98.97598	3.2
99.08083	3.5
105.07028	40.3
107.04951	10.2
107.08591	32.5
109.06512	13.3
109.10151	28.1
111.08080	4.7
117.07024	11.3
119.08575	32.2
121.06511	4.4
121.10133	20.5
123.08086	5.0
123.11720	10.5
125.09637	10.0
125.34369	1.3
129.03067	1.3
129.07008	4.8
131.08554	14.7
133.06403	1.4
133.10129	21.6
135.08054	4.9
135.11664	10.7
137.09622	4.7
139.11237	1.9
141.06989	1.8
143.08556	3.0
145.10114	18.2
147.11694	31.4
149.09618	14.3
149.13225	9.8
151.11168	3.6
153.09093	1.4
155.08536	1.5
157.10094	5.0
159.08057	1.4
159.11684	13.6
161.09587	4.1
161.13280	3.6
163.03926	1.4
163.11145	8.4
165.12762	14.7
169.10100	2.4
171.10242	2.1
171.11670	3.5
173.11749	3.0
173.13281	7.2
175.11191	3.9
177.12779	4.6
179.14287	1.7
181.12172	1.3
183.11726	3.9
183.13792	2.3
185.13278	1.5
187.11143	2.0
189.11212	5.3
189.12781	2.0
189.16423	2.1
191.14275	2.2
193.12209	4.2
195.13858	1.7
197.13205	3.0
205.12338	2.0
207.13835	4.3
227.12790	2.0
229.14427	3.1
229.19623	2.1
230.09958	1.7
239.17984	5.3
245.13759	1.3
247.20532	2.7
257.18997	10.1
269.17294	1.7
275.20053	56.8
283.06116	2.1
291.19839	1.4
293.21286	7.1
349.23712	21.4
367.17563	5.3
367.20825	70.9
367.24893	56.6
368.20850	2.7
368.25018	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	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
51.10078	0.6
51.10819	0.5
51.21980	0.6
53.03937	1.3
55.01881	4.5
55.05514	20.6
57.03442	6.2
57.07047	0.8
59.04991	0.8
67.05510	19.4
69.03403	1.9
69.07073	22.0
69.85931	2.8
71.04974	1.1
71.08639	26.0
73.20223	0.5
79.05500	16.6
80.55726	0.5
81.03433	4.2
81.07064	16.4
83.04984	3.7
83.08219	0.6
83.08620	7.0
85.02876	0.7
85.06528	0.9
87.40279	0.5
91.05489	6.0
92.82472	0.6
93.07053	11.0
95.04976	4.1
95.08617	7.6
97.02882	0.7
97.06508	2.1
97.09646	0.6
97.10178	8.3
99.08102	21.4
103.03904	0.6
105.07029	4.8
107.04968	2.3
107.08601	9.0
109.06538	2.6
109.10175	4.8
111.04383	0.8
111.08037	2.1
111.26602	0.5
117.06992	2.3
119.08585	2.8
121.06468	2.1
121.10173	3.6
123.08052	1.2
123.11687	1.2
125.08922	0.6
125.09641	7.8
131.08543	2.7
133.10165	3.0
135.08029	2.3
135.11670	2.4
137.09619	0.9
139.11179	1.6
143.08568	0.8
145.10078	1.8
147.11697	1.1
149.09583	1.1
149.13229	1.6
151.11143	1.6
153.09088	1.1
153.12712	0.6
157.10201	0.6
159.11676	1.9
163.11160	1.3
165.12721	1.2
167.10664	3.4
171.10118	0.9
173.11746	1.3
173.13214	0.7
173.24944	0.6
177.12761	2.8
189.05443	1.5
189.11227	5.1
195.13754	1.0
219.17630	1.1
227.12813	1.4
237.14685	0.9
247.20525	1.6
257.19073	1.2
265.21689	1.2
275.20120	8.0
293.21130	100.0
294.21539	1.7
349.23828	0.6
367.24835	41.8
368.25040	1.1
368.31287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03935	1.1
54.94234	0.9
55.01875	4.1
55.05269	1.6
55.05517	23.6
56.96557	3.2
57.03431	7.7
57.07066	1.5
58.45035	0.9
60.46648	0.7
61.77033	0.7
63.36372	0.9
65.03937	1.0
67.05505	18.0
69.03423	3.5
69.07071	16.5
69.49273	5.3
71.04980	1.3
71.08634	36.2
79.05496	15.9
81.03416	9.2
81.06595	0.9
81.07063	16.5
83.04989	3.6
83.08627	7.5
85.06570	1.3
91.05475	7.5
92.59898	0.8
93.07051	11.3
95.04973	6.5
95.08613	8.4
95.75845	0.8
97.06525	2.6
97.10178	10.3
99.08096	28.5
101.61450	0.9
103.03995	0.8
105.07029	5.7
107.04966	3.1
107.08601	10.1
109.06517	2.1
109.10165	6.3
111.08052	1.7
117.07019	2.2
119.08577	3.5
121.06504	2.9
121.10166	3.4
123.08056	1.3
123.11759	1.4
125.09638	10.1
129.07053	1.7
131.08582	3.3
133.10182	4.3
135.08076	2.6
135.11678	1.7
137.09595	0.9
137.70485	0.9
139.11238	2.6
143.08588	1.2
145.10159	2.3
147.11691	2.4
149.09648	2.3
149.13286	2.6
151.11172	1.9
155.08484	1.0
157.10141	1.2
159.11781	1.8
163.11168	1.3
167.10721	2.4
169.10179	1.0
171.10333	1.2
173.11839	1.0
177.12758	2.7
183.11551	1.2
189.11205	5.4
193.12256	3.2
195.13899	1.1
205.19627	0.9
213.14833	0.9
224.45360	0.8
227.12653	1.2
239.09546	1.0
247.20560	1.2
265.21640	1.2
269.10489	1.9
271.06421	1.4
275.20081	12.9
287.11621	1.0
293.21118	100.0
294.21533	1.4
349.14600	2.3
349.23605	1.1
367.20526	2.2
367.24829	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01877	30.8
55.05513	35.3
57.03436	11.6
59.04991	2.2
62.61040	2.3
65.03944	3.1
67.05504	57.7
69.03422	5.8
69.07070	32.7
70.17665	5.6
71.04991	3.3
79.05489	53.8
81.03399	2.9
81.07053	70.6
83.04977	9.1
83.08620	14.0
85.06515	3.2
91.05481	45.3
93.07043	46.0
95.04978	12.8
95.08607	38.4
97.06526	38.2
97.10178	17.0
97.44732	2.4
98.21534	2.2
105.07036	45.8
107.04948	21.1
107.08598	57.0
109.06517	9.0
109.10157	25.4
111.04414	2.9
111.08068	7.0
117.07021	20.3
119.07785	3.2
119.08586	32.1
121.06481	6.5
121.10147	19.6
123.08075	5.2
123.11693	9.5
125.09614	13.2
129.07001	3.2
131.08524	20.9
133.10114	28.1
135.08047	7.4
135.11676	11.4
137.09650	4.6
139.11215	2.5
143.08577	3.3
145.10136	28.0
147.04388	2.3
147.11691	23.0
149.09613	37.8
149.13229	3.6
151.11198	3.1
155.10693	2.6
157.10123	6.2
159.11668	11.9
161.13274	7.0
163.11140	14.0
164.89619	2.1
165.12741	2.8
169.10071	4.8
171.10161	11.1
171.11684	6.4
173.11897	2.7
173.13217	11.2
175.11093	2.4
177.12851	3.0
179.10553	3.0
183.11615	4.5
187.11176	3.8
189.11284	12.0
197.13283	4.2
205.12134	2.6
223.13365	2.9
227.12823	10.8
229.19453	4.3
233.18869	3.0
239.17947	8.6
245.13844	5.6
247.20604	6.2
251.20036	4.3
253.17981	2.3
255.09213	3.1
257.19012	21.1
275.20050	100.0
293.21167	8.1
305.92657	2.1
349.08539	2.5
349.23718	59.3
367.25000	40.6
368.24344	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
53.57763	1.9
55.01878	15.1
55.05515	26.8
56.96556	4.7
57.03440	20.1
61.02924	6.9
65.03931	2.6
67.05177	4.0
67.05508	51.7
69.03421	7.6
69.07073	34.6
71.04974	6.0
73.02950	4.5
73.75526	1.9
79.05503	47.5
81.03401	7.0
81.07063	100.0
83.04978	6.5
83.08616	16.9
85.02914	9.6
85.06538	5.7
91.03953	7.0
91.05483	38.1
93.07056	40.5
93.51482	2.0
95.04990	14.0
95.08619	34.2
97.02892	4.7
97.06543	19.0
97.10163	6.2
98.66573	2.0
99.08089	6.0
105.07044	42.1
106.01965	2.0
107.04942	11.4
107.08600	36.4
109.06536	18.0
109.10170	18.7
110.69091	2.2
111.08091	10.3
113.16949	1.9
117.07021	11.8
119.04917	2.2
119.08604	31.8
121.06512	4.7
121.10163	18.6
123.08060	7.4
123.11679	8.0
125.09635	6.9
129.07013	5.0
131.08578	18.1
133.03465	3.1
133.10126	23.1
135.03235	2.3
135.08037	8.0
135.11690	10.3
137.09636	4.0
143.08615	2.5
145.06342	2.4
145.10150	19.1
147.04391	4.5
147.11707	26.5
149.09666	17.3
149.13298	5.2
151.11130	2.9
157.10121	4.2
159.11746	15.8
161.13249	5.7
163.11198	9.1
165.12718	5.9
171.11673	4.3
173.09659	2.6
173.13254	5.9
177.12747	5.5
179.14343	3.0
183.11699	2.9
185.13266	4.6
187.11183	3.1
189.11168	5.6
193.12177	2.5
197.13318	4.5
199.14642	2.4
203.14290	4.4
204.11806	2.2
204.61917	2.8
205.11923	3.2
219.17458	5.3
227.12682	2.6
229.19556	2.4
236.60849	9.1
237.10707	4.5
239.17905	4.4
247.20515	3.8
257.19046	9.3
267.15720	3.7
275.20062	63.7
285.06256	2.3
285.09924	2.7
285.64450	7.1
286.14340	3.9
293.21033	8.6
335.14212	2.4
348.64655	2.6
349.19812	2.8
349.23788	29.6
367.20517	19.7
367.25305	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01876	13.3
55.05517	32.7
55.50974	1.4
56.96556	3.0
57.03447	19.2
57.07069	2.4
59.05013	2.3
65.03929	4.4
67.05510	86.4
69.03426	7.0
69.06715	2.8
69.07071	32.7
69.39323	11.5
70.06584	3.4
71.04994	3.0
79.05497	54.4
80.24805	1.5
81.03418	5.0
81.07062	100.0
83.04983	10.5
83.08622	15.3
84.08167	1.8
85.02896	4.3
85.06530	4.2
86.09726	2.2
87.04473	2.0
91.05486	43.8
93.07055	42.4
95.04980	13.1
95.08617	45.7
97.02893	1.6
97.06535	20.3
97.10176	8.1
98.21495	2.9
99.04488	2.1
99.08086	4.7
101.70971	1.4
105.07037	42.0
107.04974	10.8
107.08605	36.3
109.06531	13.1
109.10166	26.1
110.09704	1.6
111.08078	5.6
115.05495	1.6
117.07013	13.0
119.04956	2.4
119.07791	3.1
119.08597	35.7
121.06523	3.9
121.10149	21.6
123.08032	8.6
123.11710	12.1
125.09605	9.5
129.07011	5.0
131.08586	15.3
133.10136	22.3
135.08072	5.1
135.11681	11.6
136.06293	3.3
137.09631	6.3
139.11195	4.1
143.08603	3.7
145.10144	18.5
147.04431	4.4
147.08066	1.8
147.11687	26.1
149.09618	16.2
149.13312	5.7
151.11218	3.5
153.12761	1.5
155.08655	1.5
157.10130	5.6
159.11659	9.8
161.09718	1.8
161.13258	5.2
163.03880	1.6
163.11244	9.7
165.12781	7.1
167.10744	1.7
169.10188	2.8
171.11755	5.2
173.11871	2.9
173.13266	5.9
175.11221	5.1
177.12807	3.7
183.11743	2.1
185.13339	2.3
187.11168	1.9
189.11253	5.4
189.12738	2.1
193.12286	4.2
195.13882	3.5
197.13326	1.8
203.12679	1.6
207.13832	2.9
214.35779	1.6
215.18202	2.5
227.12805	2.9
229.19452	3.3
239.17969	4.0
247.20619	2.7
257.19067	11.3
269.17505	1.9
275.20071	48.3
283.06119	4.3
293.21140	6.5
320.90085	1.7
349.23788	22.9
367.24963	57.9
368.24854	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01878	19.2
55.05516	39.2
56.96559	2.9
57.03448	24.4
57.07074	5.6
65.03945	5.8
67.05510	100.0
69.03435	11.0
69.07070	27.8
71.04983	8.7
71.08623	10.0
71.28327	2.9
71.28671	3.1
79.05501	64.8
81.03413	16.0
81.07061	93.1
83.04977	15.2
83.08228	2.0
83.08641	23.7
85.06528	10.7
85.10180	3.7
91.05488	79.4
93.07053	56.8
95.04969	26.7
95.08049	3.8
95.08612	45.6
97.02928	2.7
97.06544	14.2
97.10160	9.4
99.04465	2.7
99.08091	9.7
105.06389	4.6
105.07040	64.7
107.04964	15.2
107.08598	54.7
109.06528	10.5
109.10169	50.4
111.04435	4.4
111.08067	7.0
113.09659	3.9
117.07025	10.9
119.08605	22.6
121.06503	7.4
121.10166	16.6
123.08093	10.9
123.11695	14.9
124.33317	2.4
125.09656	17.7
129.06995	6.3
131.08589	14.0
133.06479	3.5
133.10135	92.8
135.08052	6.2
135.11694	12.8
137.09631	12.5
139.11163	2.6
143.08563	4.4
145.06494	2.7
145.10098	15.0
147.11674	13.1
149.01373	3.0
149.09645	12.7
149.13232	3.8
151.11195	51.1
157.10097	2.8
159.11739	7.8
161.09644	2.4
161.13263	5.5
163.11182	13.0
165.09096	5.2
169.12227	7.9
171.11687	2.6
173.13232	5.2
177.12759	5.7
177.16487	2.4
179.10667	3.5
186.80103	2.8
187.11061	2.8
189.05504	3.3
195.13670	3.7
207.13853	3.3
209.11618	2.9
215.12787	3.5
215.17993	2.8
229.19597	2.8
239.17946	4.1
247.20560	7.5
253.14363	11.2
257.19104	4.9
275.20071	43.6
275.22916	1.7
293.21060	14.4
295.36899	2.2
317.21378	3.3
335.18753	3.3
349.23981	10.7
367.24988	69.6
376.25449	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	367.2469
Annotation	Sibiricinone E
Peak:m/z	Relative Intensity
53.03944	1.7
54.53264	0.7
55.01868	2.7
55.05518	6.8
57.03437	5.3
67.05173	1.3
67.05510	16.1
69.07077	12.6
71.04990	1.6
71.08512	1.9
72.21694	0.8
73.57426	0.8
79.05503	13.5
80.04984	1.1
81.03435	1.1
81.07058	37.1
83.04994	1.9
83.08627	4.3
85.06532	1.8
91.05493	8.6
93.07044	11.7
95.04977	2.5
95.08620	9.6
95.45802	0.8
97.06539	5.1
97.10167	1.1
97.57959	0.8
99.08111	1.8
102.52100	0.7
104.14022	0.8
105.07037	11.3
107.04961	2.4
107.08602	5.8
109.06527	4.6
109.10171	2.9
111.08082	1.7
117.07015	2.7
119.08593	8.5
121.06501	1.4
121.10140	4.8
123.08080	3.0
123.11699	2.6
125.09657	0.8
129.07014	1.5
131.08583	4.1
133.10164	6.0
135.08063	1.3
135.11676	3.2
145.10162	3.8
147.11684	7.8
149.09608	3.1
149.13246	3.6
151.11180	1.3
157.10143	1.5
157.77431	0.8
159.11708	2.4
161.13258	1.1
163.11176	2.5
165.12761	3.1
169.10225	1.0
171.11647	1.0
171.19601	0.8
175.11163	1.3
177.12711	1.8
197.31071	0.9
219.17592	0.9
239.17998	1.1
247.20517	1.5
257.19119	1.0
275.20059	13.2
293.21057	2.3
307.24564	2.0
349.23761	2.7
367.24588	100.0
368.25018	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	367.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.01854	1.1
55.05518	3.6
55.89687	0.3
55.89975	0.3
56.96568	20.9
57.03439	2.7
57.07054	0.5
57.20287	0.3
59.04983	0.4
61.02908	1.3
65.03905	0.4
67.05180	0.5
67.05509	7.4
69.03414	1.2
69.06788	0.3
69.07076	3.6
70.10014	1.1
71.05021	0.7
71.95267	2.5
72.96028	1.1
73.02909	0.9
74.97602	0.5
79.05065	0.5
79.05499	7.5
81.03408	1.1
81.07065	14.0
81.40462	0.3
83.04971	1.3
83.08627	1.6
84.96011	1.0
84.99595	0.3
85.02886	1.5
89.02895	0.3
91.03931	1.1
91.04976	0.4
91.05489	4.5
93.07047	4.3
95.04988	1.7
95.08619	4.5
97.02890	1.4
97.06551	1.8
97.10177	0.7
97.96818	1.3
98.97602	2.0
99.04447	0.6
105.00150	0.5
105.07039	5.1
107.04967	1.8
107.08601	4.4
109.06545	1.9
109.10163	2.5
110.97566	4.4
111.04420	0.9
111.08078	0.6
115.00710	0.5
115.97842	0.5
116.98621	0.5
117.07013	1.9
119.01704	0.7
119.08580	3.2
121.10141	2.4
123.01163	0.7
123.08068	0.8
123.11692	0.5
125.09621	1.5
128.98619	4.3
129.02225	0.4
129.06946	0.6
131.08565	1.5
133.03470	0.8
133.10143	3.1
135.08055	0.7
135.11684	1.4
137.02754	1.0
137.09590	0.7
139.00656	0.8
139.11165	0.6
140.28960	0.4
141.02249	0.6
143.00153	0.8
143.08562	0.6
145.01678	0.5
145.10139	2.3
146.99678	1.7
147.03275	0.5
147.04411	0.6
147.11682	2.1
149.09595	2.0
151.00662	0.4
151.11183	0.6
153.02180	0.7
155.01892	0.4
155.03761	0.8
157.01729	0.5
157.10107	0.7
159.03311	0.8
159.11694	2.0
161.01273	0.5
161.02843	0.4
161.13264	0.6
163.11195	1.1
165.02252	0.6
167.00179	0.4
167.03734	0.7
169.01709	0.8
169.05305	0.4
171.03291	1.6
171.11629	0.8
173.04820	0.9
173.13252	0.6
175.02776	0.5
177.12717	0.6
181.05386	1.0
183.03288	0.9
185.04866	1.6
185.13272	0.6
187.06383	0.6
189.04338	1.0
189.11301	0.4
195.06995	1.1
197.01216	0.4
199.02768	0.7
199.04662	0.6
199.06424	4.3
201.04430	0.7
201.07985	1.1
203.05820	1.9
205.05702	0.4
205.07504	1.5
207.07042	0.4
211.06427	2.1
213.04366	0.6
213.07996	8.7
213.09779	0.3
216.09163	0.4
216.59279	0.7
217.05577	0.6
217.07469	4.1
219.09029	0.5
219.17416	1.3
221.08479	0.5
223.02766	0.9
223.08305	0.7
223.10274	0.6
223.13277	1.0
224.07175	0.4
225.07941	3.1
227.05791	0.7
229.05193	0.6
229.07471	9.5
231.09059	8.2
236.09641	0.4
236.60913	0.8
237.04482	0.8
237.07921	1.7
237.10246	0.4
239.05952	0.7
239.09589	3.4
239.17999	0.6
241.07364	0.6
241.11160	4.8
242.08273	1.2
243.09050	3.1
245.06920	0.5
247.08562	6.0
251.09537	5.9
252.09056	0.5
253.11081	1.2
254.10622	0.6
255.09033	5.2
256.12265	0.6
256.62466	2.6
257.10339	2.2
257.18878	1.7
258.07730	0.5
259.12241	4.3
261.07657	0.6
261.10175	0.8
267.08969	0.6
269.10617	24.3
271.12091	0.8
273.10077	2.8
275.20044	8.2
279.08990	2.0
280.09763	1.4
287.11670	8.7
291.12527	0.5
292.12192	2.2
293.21161	0.9
297.10126	2.2
298.10931	0.7
307.12354	0.5
307.15778	0.6
309.13733	1.3
310.12961	0.4
313.14560	0.8
315.11060	1.3
331.15802	9.2
349.16876	12.8
349.23450	3.2
367.17892	100.0
367.24304	3.5
368.18338	1.2
372.18420	1.1
385.18997	11.2
390.19632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01863	5.3
55.05497	1.9
56.96553	1.3
57.03451	7.1
57.07072	2.6
60.04509	2.1
61.02920	7.2
67.05497	2.2
68.99789	2.6
69.03432	44.0
69.07054	2.8
70.06589	2.8
71.04990	4.3
72.08147	1.2
73.02910	4.4
77.04214	1.3
79.05492	1.6
81.03412	21.0
81.07073	2.7
82.06615	1.4
84.08131	3.7
85.02905	100.0
86.09708	2.5
87.00828	61.4
87.04449	2.7
91.05478	3.4
93.07058	2.4
95.08575	1.2
97.02893	23.4
98.97600	1.7
99.04450	9.9
105.01863	73.4
105.07029	1.8
107.08552	1.7
109.02869	26.3
110.09651	1.3
115.03959	2.0
119.04935	1.6
119.10701	2.5
120.08110	3.8
121.02856	3.1
121.06490	5.6
121.08482	2.0
122.06850	3.2
123.04432	1.5
127.02966	3.1
127.03913	58.3
133.10139	2.0
136.07625	1.9
136.11148	1.4
141.01822	1.9
145.04964	18.7
147.02927	1.6
147.04411	4.5
153.05486	3.0
159.02873	4.4
160.84213	1.3
165.01868	11.5
183.02879	2.5
183.07988	1.4
189.03960	3.2
196.64288	1.4
207.11433	1.8
208.11530	1.7
213.03931	3.7
222.32848	1.4
231.04951	14.2
245.11671	1.5
249.05936	2.8
264.20108	1.3
271.05896	2.6
283.06009	70.0
323.20300	2.2
325.24942	3.9
367.08139	8.5
367.17728	2.8
367.23071	2.0
367.26163	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	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01863	3.2
55.05275	2.5
55.05515	38.6
56.05012	1.8
56.96560	3.5
57.03436	3.3
60.04512	6.0
61.02914	4.2
67.05495	2.8
69.03431	27.7
69.07052	3.7
70.06587	15.8
71.04980	5.5
71.56929	2.5
72.08151	4.1
73.02909	3.1
79.05476	5.2
81.02975	1.9
81.03419	16.8
81.07066	10.0
82.06561	2.3
83.04992	2.2
83.08620	87.7
84.04488	3.4
84.08153	10.7
85.02909	43.0
86.09709	14.2
87.00371	2.3
87.00833	26.0
87.10036	2.3
91.05478	5.8
93.07043	3.8
94.06568	1.9
95.06064	1.7
95.08568	2.1
96.04459	2.0
97.02898	18.0
97.06517	2.7
97.08913	4.6
98.97579	6.8
99.04443	3.9
101.09661	66.6
105.01868	25.1
105.07048	3.8
107.08570	4.1
109.02888	15.1
109.10181	1.6
110.07181	4.8
110.09689	8.8
116.07062	2.1
116.98602	2.1
119.04966	3.3
119.08563	2.8
119.10698	17.8
120.08093	5.9
122.05992	3.0
124.11272	2.2
127.03923	34.0
129.10248	3.3
136.07506	4.4
145.04942	10.1
147.03296	1.4
147.04356	8.4
151.11214	2.7
157.13319	3.7
158.99765	1.8
159.02878	4.4
159.11687	1.8
162.12889	2.1
164.07036	1.6
178.16089	1.8
182.08109	2.7
187.13286	6.6
208.16949	10.0
210.18536	2.9
219.01501	1.7
231.05005	8.1
238.01242	2.2
243.11296	2.6
247.21637	2.3
265.22742	5.4
269.03488	1.9
271.10733	8.2
277.22897	3.1
281.22131	3.2
289.22733	15.1
290.20908	2.1
307.23615	3.1
307.97156	1.6
317.11368	2.8
325.24924	4.0
335.12326	6.0
349.24847	5.4
350.20331	1.9
367.25912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01875	3.2
55.05509	14.8
56.05036	15.9
58.06598	16.4
60.04529	16.4
67.05506	32.4
68.05024	2.0
69.03428	2.7
69.07070	19.6
70.06593	3.0
71.04971	1.8
71.30553	1.5
71.57191	1.5
74.09724	1.7
75.70943	1.6
79.05497	26.7
80.05013	15.4
81.03418	2.0
81.07061	21.3
82.06586	4.7
83.04986	3.3
83.08631	7.4
84.08164	2.2
85.06551	2.1
86.16388	1.5
91.05483	24.4
93.07046	20.8
94.06575	8.2
95.04948	4.5
95.07329	2.3
95.08614	19.7
96.08127	3.5
97.06503	2.9
97.10174	9.2
98.09689	7.5
100.07608	7.3
103.05502	1.6
105.07034	25.7
106.06530	1.8
107.04944	2.9
107.08599	19.6
108.08133	3.9
109.06512	2.8
109.10146	19.6
111.08086	1.8
111.11705	1.8
117.07040	5.6
119.08594	20.3
120.08179	1.9
121.06466	1.7
121.10137	13.9
122.09672	2.1
123.08096	2.9
123.11729	2.1
124.11219	1.5
125.09647	5.5
129.06982	1.9
131.08545	10.0
133.10138	20.9
135.11705	3.2
136.11234	5.8
137.09648	10.7
140.06488	1.5
140.10732	5.3
145.10115	7.0
147.11650	7.1
149.09619	2.7
150.51767	1.6
151.11208	3.0
153.09039	2.2
154.12271	87.3
155.10713	1.7
157.10083	2.9
159.11725	6.4
161.13281	2.3
163.11153	2.5
169.10114	1.9
171.11687	3.1
173.11874	2.0
173.13203	3.1
177.12822	5.2
180.13794	7.2
183.11755	2.8
186.14893	43.1
187.15050	1.8
196.13316	29.0
197.13234	2.2
203.12817	3.1
204.13878	4.1
206.15440	2.1
224.16539	2.2
226.18080	2.1
228.15942	23.4
236.16525	10.1
238.18053	4.0
239.17973	3.8
257.19040	9.8
272.20078	1.6
274.21652	7.0
275.20050	19.6
289.21640	22.0
292.22748	5.3
304.22662	1.7
306.24283	39.5
307.22388	2.5
324.25446	2.4
334.23853	4.2
348.25327	10.3
366.26480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05515	15.3
56.05027	5.3
56.96558	4.7
57.03434	3.1
58.06600	6.4
60.04525	9.2
61.89162	2.2
67.05499	26.2
69.03432	2.3
69.07068	21.2
70.06581	2.4
70.45421	4.2
70.45795	3.9
71.04999	4.9
79.05495	26.8
80.05036	18.0
81.07066	31.4
81.34895	2.7
82.06597	4.3
83.04991	3.0
83.08617	10.6
84.08155	4.4
85.06586	2.7
86.06083	2.4
91.05480	21.8
93.07044	24.9
94.06583	9.8
95.04959	5.8
95.08626	19.8
96.08128	3.4
97.06537	7.4
97.10190	8.3
105.07035	20.1
106.06590	3.3
107.05016	2.7
107.08594	20.1
108.08105	14.4
109.06564	4.0
109.08859	2.9
109.10167	9.0
110.09711	3.1
111.08121	3.9
112.07614	8.6
117.07037	8.9
119.08585	23.3
121.10150	13.1
122.09731	3.0
123.08091	4.1
123.11749	3.2
125.09676	8.3
128.10770	2.4
129.07048	4.6
131.08592	7.7
133.10120	15.7
135.11722	2.9
136.11258	3.9
137.09633	3.8
145.10161	9.3
147.08156	3.3
147.11703	13.5
149.09637	5.3
149.13359	2.7
150.12840	2.9
152.10780	2.8
153.09117	2.5
154.12289	9.4
157.10147	3.0
159.11742	7.2
161.13324	5.5
163.11160	3.5
171.11755	5.2
173.11847	3.1
173.13280	4.4
177.12805	2.7
186.15019	3.5
187.14864	3.3
192.13902	2.9
204.13953	6.8
206.15465	2.3
224.16643	2.6
236.16489	11.8
238.18196	5.4
243.89671	2.1
257.19070	7.2
274.21826	7.1
275.20160	10.7
289.21552	24.5
304.22815	2.5
306.24295	67.1
307.22818	5.3
316.22751	5.5
320.25967	2.9
324.25848	2.7
334.23724	12.9
348.25363	61.3
351.18719	3.1
366.26608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2024
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
55.05509	0.9
56.96560	1.1
60.04526	19.8
65.98354	0.4
67.05513	0.8
68.05042	0.7
69.03430	0.9
69.07080	0.4
70.02945	1.6
70.06593	1.5
70.89369	1.1
71.05014	0.5
72.04530	1.2
72.08157	0.9
74.91659	0.4
79.05496	0.5
81.03437	0.4
82.71420	0.4
83.04987	0.6
83.08595	0.6
84.04500	0.8
84.08157	2.3
85.02913	1.4
86.09708	69.4
87.05593	16.9
91.05482	1.5
93.07053	1.6
97.02901	0.5
98.97598	0.5
103.05482	1.5
109.10157	0.7
110.09714	1.1
111.08096	0.4
120.08109	29.8
121.06508	9.8
121.10168	0.4
126.09145	0.8
127.11187	0.7
128.10716	9.6
131.04910	0.7
132.10237	0.6
133.10172	0.6
134.09709	0.6
136.06154	1.2
136.07573	1.1
144.08119	0.4
147.04384	1.8
149.06009	0.5
156.10229	0.4
162.09100	0.6
165.01793	0.5
166.08640	14.1
169.12265	0.5
173.12862	100.0
174.13197	0.9
190.09819	0.5
191.08150	0.8
191.20625	0.4
193.12415	0.4
201.12346	32.2
202.14343	0.5
203.15955	0.7
207.11316	2.3
219.13190	0.6
235.10822	1.0
242.12180	0.8
242.62485	0.7
251.12680	0.8
252.09424	0.7
279.17090	1.8
283.06018	3.5
296.06732	1.0
322.20074	3.0
324.06180	0.7
348.21841	2.8
348.25958	0.7
357.09918	0.4
361.02362	1.2
366.14722	0.5
366.18988	0.5
366.22668	1.6
366.27530	1.8
367.08139	2.1
367.15436	0.5
367.25961	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	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01670	0.8
55.01880	8.6
55.05521	4.4
56.96572	1.0
57.03455	6.1
60.04534	1.1
61.02937	5.6
67.05515	1.3
68.38407	0.9
68.99797	2.6
69.03433	29.8
69.07024	0.9
70.06591	2.2
71.04990	3.9
71.57206	1.6
72.08159	1.4
73.02926	7.1
79.05523	1.6
80.04989	0.9
81.03423	24.1
81.07066	2.5
83.01328	1.3
83.04980	1.7
83.08617	2.1
85.02911	100.0
86.09705	1.7
87.00298	2.1
87.00835	43.0
87.04470	1.8
91.03962	2.2
91.05518	2.1
93.07056	1.8
97.02905	30.6
98.97601	2.2
99.04468	11.9
101.02386	1.2
105.01875	71.4
105.07052	1.8
107.08620	1.7
108.04460	3.1
109.02888	27.4
109.06571	1.1
109.10149	1.5
111.08110	2.2
115.03918	1.3
117.01839	1.8
119.08601	1.1
120.08104	1.0
121.06524	2.6
123.08094	0.9
126.05515	1.5
127.03928	69.3
129.01840	3.9
131.08661	0.9
136.01218	0.9
136.06181	7.7
137.06541	1.1
139.07616	1.0
141.09087	2.6
145.04968	34.5
147.02893	2.5
147.04437	3.0
151.07552	1.4
158.99768	1.0
159.02913	14.5
162.09171	1.0
165.52153	0.9
171.02942	1.2
180.42383	1.0
181.39481	1.0
189.03973	3.7
209.11746	3.9
213.03987	2.7
230.06635	1.4
231.05017	21.8
248.07716	1.5
249.06017	5.7
283.05850	1.4
295.11752	5.7
313.12888	1.5
348.21716	1.4
361.36084	1.0
366.23358	9.3
366.27478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05511	2.3
57.07079	9.0
67.05509	2.7
69.03433	0.5
69.07056	1.8
71.04974	0.3
71.26910	0.5
79.05487	1.7
81.07059	3.3
83.05008	0.7
83.08611	0.8
85.06544	5.7
91.05489	2.7
93.07043	3.8
95.04977	3.3
95.08605	3.7
97.06552	1.0
105.07042	3.3
107.08612	3.1
109.06520	3.2
109.10165	1.4
111.04456	0.4
117.07030	1.0
119.08594	4.1
121.06536	0.7
121.10146	1.8
123.08067	3.5
123.11740	0.4
124.08857	1.2
125.06036	0.4
128.06241	0.5
129.07059	0.8
129.86574	0.4
130.07823	0.4
131.08577	1.7
133.10139	1.9
135.08063	3.0
135.11757	0.6
137.06015	0.5
137.09654	0.8
139.07616	0.4
141.06990	0.4
142.07805	0.8
143.08572	1.8
144.09381	0.5
145.10129	2.5
147.08066	0.4
147.11726	0.7
149.09650	0.8
149.13306	0.4
151.07561	3.5
151.11232	0.4
152.08347	5.2
154.94240	0.4
155.08600	0.6
156.09329	0.9
157.10141	2.6
158.10890	0.5
159.08043	0.5
159.11664	1.7
161.09662	1.1
161.13345	0.8
163.07651	0.3
165.09120	7.3
165.12801	0.5
166.09970	0.7
167.08591	0.5
168.85983	0.3
169.10187	1.3
170.10950	1.0
171.11740	1.6
173.13260	0.7
175.11235	0.5
177.12775	0.8
179.08527	0.5
179.10680	1.9
181.10162	1.2
181.12263	0.5
182.11082	0.5
183.11647	1.6
184.12338	0.4
185.13301	2.3
187.11267	0.8
187.14912	1.1
189.12801	0.5
194.13029	3.6
195.11755	1.7
195.13669	0.6
196.12613	0.6
197.13324	1.5
201.12967	0.3
205.15900	0.4
206.11012	0.7
206.19098	0.4
207.11772	1.2
207.13799	0.8
208.12524	0.7
209.13359	1.6
211.14851	0.6
213.12874	0.9
219.11803	0.4
221.13303	0.9
221.15263	0.4
223.14903	1.0
225.12762	0.4
225.16397	0.6
233.13234	0.5
234.14043	0.5
235.14865	0.7
235.17046	0.7
237.16434	0.5
237.27080	0.3
241.16020	0.4
245.13351	0.4
247.14850	0.5
249.16472	0.9
251.17943	0.3
263.17831	0.7
263.20187	4.7
265.19391	0.6
267.17508	0.6
273.18808	0.4
279.19641	0.4
314.48386	0.4
319.26492	1.2
337.27472	0.7
347.25964	18.9
365.26990	100.0
366.27304	1.5
369.55692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.2
57.07079	18.4
57.88876	1.4
59.03109	1.6
61.33136	1.5
65.03934	2.3
67.05508	15.6
69.03429	2.0
69.07072	9.3
71.05003	2.8
71.57317	1.5
79.05496	9.3
81.07061	20.5
83.04986	3.4
83.08612	4.5
85.06533	16.3
85.99758	1.5
91.05489	18.6
91.41582	1.4
92.05836	1.7
93.07040	25.8
93.53452	1.4
95.04966	23.9
95.08606	22.4
97.06534	4.6
105.07037	30.6
107.04939	1.8
107.08591	22.8
109.06512	12.7
109.10170	9.9
111.04419	1.7
111.08075	2.9
117.07005	7.8
119.08590	32.5
119.09356	1.4
121.06525	3.3
121.10182	12.5
123.08070	6.7
123.11684	2.0
124.08871	2.0
126.94369	1.4
128.06238	4.9
129.07025	8.1
130.07814	2.0
131.08569	15.5
133.10107	10.5
133.53723	1.6
135.08046	13.8
135.11708	4.4
136.93123	2.2
137.05919	1.7
137.09576	3.3
141.07030	3.8
142.07787	11.0
143.08563	22.0
144.09331	4.3
145.10133	20.6
147.08051	3.7
147.11681	4.3
149.09647	2.9
149.13345	1.5
151.07570	6.3
152.08339	4.8
154.94194	4.4
155.08592	7.5
156.09320	10.5
157.10130	34.8
158.10925	3.1
159.08028	3.7
159.11691	18.8
161.09659	7.3
161.13263	4.3
163.11191	1.6
165.07060	3.5
165.09077	9.2
166.07919	1.7
167.08588	5.0
168.09395	2.2
169.10168	11.0
170.10974	3.9
171.11697	14.1
172.08949	1.8
172.12399	2.6
172.95239	3.7
173.09619	4.2
173.13205	7.8
175.11182	2.9
175.14792	1.5
177.12772	2.9
179.08585	6.6
179.14230	2.0
180.09305	1.9
181.10101	9.6
182.10899	3.5
183.11691	12.6
185.09581	1.8
185.13266	29.2
187.11137	7.6
187.14760	9.0
188.49576	1.6
189.05460	3.8
189.12790	2.5
190.96288	2.2
191.08644	1.5
193.10143	7.3
194.10928	4.7
194.12959	2.0
195.11732	15.9
195.13582	2.6
196.12431	4.5
197.13319	10.0
197.16063	1.6
199.11243	3.2
199.14806	4.1
201.12825	2.7
203.14355	2.3
205.10168	1.6
205.15950	4.3
206.10951	2.6
207.11664	10.3
208.12415	6.2
209.13278	12.2
210.14008	2.3
211.11272	3.4
211.14825	4.3
213.12752	6.9
219.11700	3.8
221.13356	12.3
221.15263	2.7
222.14000	3.4
223.14841	10.5
225.12778	3.1
225.16382	4.3
227.14307	1.8
229.16026	1.5
231.11726	2.0
233.13249	4.2
234.14044	2.9
235.14749	5.4
236.15559	2.5
237.16396	6.6
238.17213	2.7
239.14317	1.9
239.17957	2.4
241.15724	2.7
246.13971	1.9
246.98868	1.8
247.14861	3.5
248.15596	2.4
249.16438	7.3
251.17949	5.6
253.15855	3.2
255.17419	2.9
258.14069	1.8
259.14780	1.9
261.16321	3.4
263.17877	4.7
263.20334	9.6
264.18784	1.8
265.15887	5.0
265.19461	3.5
267.17462	4.6
269.19131	3.5
273.16241	3.3
274.17267	1.7
281.18744	2.3
289.19424	2.3
291.17258	2.9
305.24774	3.2
308.94562	2.0
309.18472	3.8
319.26547	1.7
329.22635	2.5
347.25720	29.6
358.51178	1.6
364.97156	4.9
365.26691	100.0
366.27271	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Quinestrol
Peak:m/z	Relative Intensity
52.01821	1.3
53.03941	2.7
55.05515	6.8
57.07067	4.5
59.05003	2.1
62.39155	1.3
65.03912	1.4
66.04296	1.5
67.05508	17.2
69.03429	4.7
69.07066	6.7
70.69468	3.6
71.05006	2.0
79.05494	13.0
79.65644	1.3
81.07050	15.0
83.04970	2.5
83.08617	4.8
85.06545	3.4
91.05493	20.3
93.07043	22.0
95.04981	26.7
95.08616	22.3
97.06538	4.2
100.62518	1.2
103.05428	1.7
105.04493	1.7
105.07042	29.4
107.08611	16.7
109.06522	5.1
109.10143	7.1
115.05513	2.8
117.07021	11.1
119.08595	39.2
119.09459	2.2
121.06511	4.2
121.10140	9.8
123.08074	6.2
123.11691	1.9
126.83933	1.2
128.06223	7.9
129.07008	9.6
130.07832	3.2
131.08565	14.6
133.10143	14.5
135.08052	9.5
135.11707	6.5
137.09587	1.5
141.07002	5.3
142.07770	15.0
143.08569	27.4
144.09349	7.8
145.10135	25.0
147.08063	4.1
147.11714	5.1
149.09648	2.9
151.07529	2.1
153.07042	2.0
154.07768	2.2
155.08571	9.5
156.09328	11.2
157.10139	37.6
158.10907	3.8
159.08061	3.0
159.11690	20.1
161.09653	4.7
161.13275	5.0
165.07007	3.7
167.08592	4.5
168.09377	3.1
169.10132	14.3
170.10924	10.3
171.11702	20.1
172.08839	2.4
172.12448	3.6
173.09676	5.3
173.13300	7.9
175.11174	3.7
179.08614	4.6
180.09372	5.2
181.10107	10.1
182.10916	7.0
183.11703	16.0
184.12469	4.4
185.09569	2.0
185.13261	41.5
187.11182	10.1
187.14780	10.3
189.12769	4.3
192.09291	3.2
193.10164	10.7
194.10910	8.9
195.11700	15.7
196.12549	4.8
197.13289	16.5
198.13997	2.3
199.11310	3.3
199.14838	5.1
201.12587	1.9
203.14349	3.8
205.10323	2.1
205.15916	5.7
206.10938	4.8
207.11719	12.8
208.12491	7.4
209.13274	16.0
210.14069	2.7
211.11212	3.9
211.14795	8.5
213.12794	8.7
213.16357	1.4
216.19353	1.3
218.10881	2.6
219.11736	4.7
220.12460	4.8
221.13260	12.0
221.15237	1.8
222.13995	3.0
223.14824	15.0
224.15616	1.8
225.12776	3.2
225.16341	3.3
227.14325	3.0
229.15849	2.0
231.11819	2.1
233.13260	6.5
234.14020	3.0
235.14854	6.4
236.15604	3.3
237.12740	2.9
237.16356	8.8
238.17139	2.7
239.14407	3.4
239.17888	2.3
241.15887	3.6
244.12372	1.8
245.13440	2.4
246.13947	2.9
247.14877	4.7
248.15701	2.9
249.12791	1.7
249.16396	7.0
250.17192	1.7
251.17976	8.3
253.15976	1.7
255.17511	2.7
258.14044	2.0
259.14832	3.3
261.16434	2.8
263.14502	2.0
263.17990	7.0
264.18680	2.7
265.15881	3.6
265.19669	3.9
267.17465	3.5
269.19089	3.8
271.14862	2.2
273.16397	3.4
274.16998	2.6
275.17938	2.2
277.15894	3.2
277.19476	3.1
279.17484	2.4
281.19061	5.1
282.19772	2.0
283.20663	2.3
285.18451	1.5
287.17856	1.5
289.19577	3.9
290.16873	1.4
291.17447	5.8
299.18112	2.8
305.19022	2.1
307.20786	2.3
309.18564	3.9
314.20398	2.3
317.19077	1.7
319.24194	2.8
329.22739	3.6
347.23682	33.1
365.10294	1.9
365.24792	100.0
366.25372	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	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06810	4.7
53.03947	5.5
55.05510	12.8
57.03433	7.2
67.05519	29.4
69.03417	8.4
69.07069	15.9
69.79510	10.9
69.79926	15.3
78.41417	6.4
79.05476	19.3
81.07055	30.7
83.04964	6.2
83.08616	11.4
85.06554	7.7
91.05482	32.7
93.07040	34.5
95.04968	23.8
95.08604	28.8
97.06544	7.6
98.20786	5.2
105.07042	57.7
107.08602	34.6
109.06499	15.8
109.10155	18.4
117.07047	12.5
119.01511	5.0
119.08578	46.0
121.06505	9.0
121.10172	34.3
123.08049	11.2
128.06198	9.9
129.07025	12.4
131.08571	39.4
133.10133	20.4
135.08055	14.6
135.11676	7.3
141.06911	7.5
142.07805	12.5
143.08566	29.9
145.10139	31.7
147.08061	5.3
147.11661	12.2
149.13229	5.1
153.06979	5.4
155.08600	11.3
156.09337	9.3
157.10156	45.3
158.10893	9.5
159.08125	5.4
159.11711	17.7
161.09650	12.5
165.07045	8.6
165.12729	5.7
168.09349	8.2
169.10129	17.7
170.10860	7.7
171.11673	13.6
173.09677	8.2
173.13203	36.8
179.08586	5.9
179.14386	8.1
181.10133	11.2
183.11700	28.2
185.13284	6.9
189.05412	10.6
189.12723	5.5
191.14340	21.8
193.10117	17.4
194.10941	5.4
195.10095	4.8
195.11699	22.6
195.13721	12.0
197.13322	16.0
199.11032	6.0
199.14784	8.9
201.12775	7.8
203.14308	5.1
207.11726	19.9
209.13275	14.8
211.11165	6.5
211.14787	8.7
216.15141	7.7
217.15999	5.3
221.13225	14.5
221.45201	5.3
223.14896	12.5
225.12900	7.9
227.14323	7.2
230.98341	5.0
233.13268	7.1
233.64333	5.5
235.14804	8.5
237.16290	7.4
237.86485	5.3
249.16344	14.1
251.17950	12.5
263.14188	9.9
263.17929	10.5
267.17493	6.8
281.18900	7.3
291.17355	9.0
343.43460	5.2
347.23120	6.3
347.25671	25.0
365.10641	10.3
365.18567	8.7
365.24631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.05518	19.1
57.07076	4.6
67.05515	30.4
69.03421	9.7
69.07079	15.1
69.81659	6.4
69.82050	8.4
71.04981	4.7
79.05495	28.7
81.06638	3.7
81.07063	33.2
83.04996	4.2
83.08602	7.6
85.02876	3.8
85.04131	2.5
91.05490	36.3
93.07053	46.0
95.04959	27.7
95.08614	25.4
97.06520	5.2
105.07042	57.1
107.08601	33.2
109.06499	8.8
109.10159	23.3
117.07025	14.7
119.08585	46.5
121.06500	8.3
121.10177	34.1
123.08046	5.8
123.11713	3.6
128.06238	6.7
129.07042	17.4
130.07779	5.1
131.08580	35.9
133.06494	3.0
133.10165	20.2
135.08049	13.0
135.11697	8.9
137.09637	3.3
141.06943	6.6
142.07790	10.6
143.08591	26.9
144.09300	5.6
145.10130	41.1
147.08035	5.9
147.11676	13.9
149.09584	10.5
149.13245	6.1
153.07036	3.4
155.08571	11.9
156.09367	9.8
157.10136	28.2
158.10880	8.5
159.08075	3.5
159.11729	18.4
161.09604	11.7
161.13264	8.6
163.11154	4.4
165.07089	4.5
167.08612	8.0
168.09355	6.6
169.10094	17.7
170.10890	5.4
171.08022	4.7
171.11717	19.2
172.08846	3.1
173.09622	6.7
173.13268	45.5
175.11163	8.6
175.14838	3.6
177.12703	3.5
179.08566	10.7
181.10109	14.0
182.10909	9.3
183.11691	23.2
185.13226	10.9
187.11266	3.6
187.14867	4.2
189.05435	6.5
191.14314	28.5
192.09369	6.3
193.10059	14.4
194.10997	7.9
195.11714	13.7
196.12474	4.1
197.13274	12.8
199.11244	6.2
199.14853	7.7
200.39035	2.6
201.12743	9.8
203.14284	4.5
204.08742	3.4
205.10086	3.1
206.10919	6.2
207.11717	15.4
208.12523	7.9
209.13312	16.4
211.11105	3.8
211.14783	14.4
213.12718	4.2
213.16266	3.9
215.14241	3.7
216.15085	5.9
216.78954	2.6
217.12215	2.7
217.15938	5.6
219.11789	5.1
220.12430	4.9
221.13315	13.5
223.14755	14.0
225.12729	6.2
225.16338	3.1
227.14267	5.6
231.11728	4.1
233.13242	8.9
234.14064	5.6
235.14755	7.9
236.15704	4.3
237.16402	10.8
239.14265	3.9
247.14787	4.8
248.15628	4.8
249.16431	13.7
251.17908	6.5
253.15860	5.6
255.17662	4.6
258.13989	4.1
263.17896	12.0
264.18744	5.4
265.15829	3.6
267.17529	6.5
273.16241	3.9
277.16266	3.2
277.19400	4.5
281.19012	7.6
282.19781	5.4
289.19229	3.3
291.17316	6.9
297.18170	3.4
309.18399	5.2
337.25165	5.2
347.23560	31.6
365.24698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06810	4.7
53.03947	5.5
55.05510	12.8
57.03433	7.2
67.05519	29.4
69.03417	8.4
69.07069	15.9
69.79510	10.9
69.79926	15.3
78.41417	6.4
79.05476	19.3
81.07055	30.7
83.04964	6.2
83.08616	11.4
85.06554	7.7
91.05482	32.7
93.07040	34.5
95.04968	23.8
95.08604	28.8
97.06544	7.6
98.20786	5.2
105.07042	57.7
107.08602	34.6
109.06499	15.8
109.10155	18.4
117.07047	12.5
119.01511	5.0
119.08578	46.0
121.06505	9.0
121.10172	34.3
123.08049	11.2
128.06198	9.9
129.07025	12.4
131.08571	39.4
133.10133	20.4
135.08055	14.6
135.11676	7.3
141.06911	7.5
142.07805	12.5
143.08566	29.9
145.10139	31.7
147.08061	5.3
147.11661	12.2
149.13229	5.1
153.06979	5.4
155.08600	11.3
156.09337	9.3
157.10156	45.3
158.10893	9.5
159.08125	5.4
159.11711	17.7
161.09650	12.5
165.07045	8.6
165.12729	5.7
168.09349	8.2
169.10129	17.7
170.10860	7.7
171.11673	13.6
173.09677	8.2
173.13203	36.8
179.08586	5.9
179.14386	8.1
181.10133	11.2
183.11700	28.2
185.13284	6.9
189.05412	10.6
189.12723	5.5
191.14340	21.8
193.10117	17.4
194.10941	5.4
195.10095	4.8
195.11699	22.6
195.13721	12.0
197.13322	16.0
199.11032	6.0
199.14784	8.9
201.12775	7.8
203.14308	5.1
207.11726	19.9
209.13275	14.8
211.11165	6.5
211.14787	8.7
216.15141	7.7
217.15999	5.3
221.13225	14.5
221.45201	5.3
223.14896	12.5
225.12900	7.9
227.14323	7.2
230.98341	5.0
233.13268	7.1
233.64333	5.5
235.14804	8.5
237.16290	7.4
237.86485	5.3
249.16344	14.1
251.17950	12.5
263.14188	9.9
263.17929	10.5
267.17493	6.8
281.18900	7.3
291.17355	9.0
343.43460	5.2
347.23120	6.3
347.25671	25.0
365.10641	10.3
365.18567	8.7
365.24631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11695	0.7
51.71550	0.8
52.21280	0.8
53.03934	1.6
55.01872	5.8
55.05515	27.8
56.96555	2.3
57.03441	11.8
59.05005	1.4
61.02925	1.0
65.03927	0.8
67.05508	29.7
68.55604	1.0
69.03132	0.9
69.03430	10.6
69.07072	34.6
70.25075	3.0
71.04972	2.3
73.02908	0.8
79.05064	1.2
79.05502	21.4
81.03426	4.9
81.07063	20.9
83.04985	4.3
83.08618	7.6
85.02924	0.8
91.05491	11.6
93.07043	18.3
95.04965	6.6
95.08613	14.8
95.42399	0.8
97.02896	15.0
97.06523	3.0
97.10172	14.4
98.21423	0.9
98.97579	4.7
103.05470	1.3
105.07044	11.6
107.04954	6.3
107.07891	1.1
107.08595	13.6
109.02901	1.0
109.06498	3.6
109.10139	10.3
110.97583	1.2
111.04412	1.2
111.08115	2.0
116.98646	1.0
117.07036	6.0
119.04922	1.3
119.08586	11.7
121.06493	2.6
121.10152	4.5
123.08031	3.2
123.11748	1.4
125.09628	14.3
129.07018	2.2
131.00134	2.4
131.08588	5.6
133.06505	2.0
133.10130	5.2
135.08066	4.4
135.11667	2.0
137.09654	4.0
143.08572	2.3
145.10173	4.8
147.08046	4.4
147.11664	2.5
149.01257	2.0
149.09587	1.6
149.13231	2.4
151.11143	1.3
153.09151	1.5
157.10114	2.2
159.11679	3.5
161.09608	2.6
163.11163	2.7
164.71841	0.8
165.09142	2.5
171.10207	1.9
171.11676	2.0
173.11729	1.4
175.11183	2.4
177.00665	1.0
177.12828	1.7
185.13252	1.3
189.11261	7.6
189.12764	1.7
195.13855	2.1
205.12267	2.7
213.14748	1.2
223.13300	27.6
227.12903	2.3
245.19102	2.0
255.17464	1.9
263.20166	1.6
273.15778	1.5
273.18518	16.8
284.12744	13.8
284.62906	3.7
291.19553	100.0
292.19717	1.3
323.83527	0.9
347.22125	1.7
365.10956	1.6
365.15961	11.7
365.23196	61.3
365.65521	1.3
366.23535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12296	0.8
53.03940	1.5
54.08920	0.8
55.01875	7.6
55.05508	5.5
56.96579	1.1
57.03441	46.1
57.07073	2.6
65.03941	3.1
67.05508	41.8
67.05875	1.6
69.03425	3.5
69.07056	3.7
69.12482	0.9
70.56908	1.8
70.57264	1.8
71.05001	4.3
79.05495	18.4
81.03418	2.5
81.07066	16.3
83.04972	3.5
83.08623	2.6
85.02889	1.5
85.06552	32.5
91.05482	18.1
91.69722	0.9
93.07047	16.8
95.04975	53.5
95.08066	1.0
95.08623	9.8
97.06527	3.6
105.07024	13.8
107.04958	7.1
107.08588	11.4
109.06523	46.0
109.10159	2.9
111.08056	1.3
113.06014	100.0
115.05489	1.4
117.07028	9.5
119.04931	0.8
119.08597	10.2
121.06495	3.3
121.10161	4.4
123.08054	3.3
123.11696	1.0
124.29135	0.9
125.68269	0.8
127.82009	0.9
129.07016	5.7
131.08578	12.6
133.06500	2.2
133.10135	5.1
135.08058	33.3
135.11697	5.0
137.57486	1.0
143.08551	5.6
145.06479	1.2
145.10127	7.1
147.08037	3.4
147.11685	2.4
149.09610	5.9
149.13264	2.5
151.40315	1.0
157.10130	5.9
159.08073	1.7
159.11687	4.7
161.09595	6.8
161.13260	1.3
163.11147	1.7
165.09123	1.1
169.10187	1.4
170.75699	0.9
171.11732	2.2
173.13260	1.6
175.11182	2.8
177.12764	2.9
183.11629	1.9
185.13243	1.6
195.11916	1.3
195.13803	2.0
199.14856	3.4
201.12749	2.0
217.15910	15.3
219.13814	1.9
227.17882	1.7
233.15302	1.3
237.16441	1.4
245.18991	2.9
255.17422	3.8
273.18530	25.8
291.19562	40.0
307.18890	1.0
347.18460	2.3
347.22275	3.0
365.19287	33.1
365.23328	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01877	11.9
55.05305	1.9
55.05516	21.0
56.96558	1.9
57.03439	55.4
57.07068	2.9
58.18259	1.9
60.37357	1.8
61.02916	1.8
65.03938	4.7
67.05505	65.4
69.03442	8.2
69.06723	3.8
69.07070	35.5
70.98949	1.8
71.04988	6.0
71.21536	2.9
71.21876	2.3
73.02887	1.7
79.05070	2.1
79.05499	32.9
79.58625	2.2
81.03412	5.7
81.07062	32.6
83.04981	6.0
83.08620	8.7
85.06541	40.2
91.05481	27.4
93.07053	28.6
95.04971	63.7
95.08617	17.3
96.05296	1.8
97.02898	8.1
97.06535	6.0
97.10174	7.3
98.97610	3.0
99.04473	2.2
99.08034	1.8
99.46804	2.1
103.05370	1.6
105.07043	27.5
107.04954	7.4
107.08604	22.9
109.06523	46.9
109.10173	6.7
111.08091	5.2
113.06011	100.0
115.05450	2.3
117.07022	12.1
119.04908	2.5
119.08582	17.3
121.06490	4.7
121.10143	8.4
123.08080	4.9
125.09627	6.9
127.07533	3.1
128.06264	2.8
129.07021	6.7
131.08574	17.3
133.06471	4.5
133.10138	10.9
135.08058	37.6
135.11717	10.8
137.21725	1.7
143.08568	7.1
145.10132	13.7
147.08049	9.2
147.11671	4.8
149.09554	5.1
149.13290	4.0
153.09177	3.0
157.10147	5.5
159.08052	2.7
159.11696	7.8
161.09602	9.0
161.13287	2.0
163.11131	5.0
165.09126	2.5
169.10135	2.0
171.10229	2.9
171.11671	5.3
173.11726	1.7
173.13249	3.7
175.11203	4.8
177.12740	3.8
189.05435	2.3
189.11223	2.3
199.14848	3.9
201.12733	3.5
217.15880	15.2
223.13251	7.9
233.15308	4.4
255.17407	1.9
263.20139	2.5
269.10568	3.1
273.18497	41.8
287.12314	2.6
291.19534	93.5
333.13306	11.7
347.22192	3.6
365.23224	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01873	11.1
55.05514	28.6
55.05782	1.8
56.96557	2.5
57.03445	15.6
59.04989	1.6
59.14959	1.1
61.02919	3.4
65.03933	3.2
67.05508	38.1
67.05875	1.9
69.03433	12.2
69.07069	61.2
69.82671	6.5
71.01396	1.1
71.04983	3.1
73.02921	1.9
79.05495	30.8
81.03429	8.2
81.06586	1.7
81.07061	29.2
83.04983	5.1
83.08624	10.7
85.02926	6.3
85.06542	1.7
91.03951	2.6
91.05488	20.6
93.07051	22.1
95.01317	2.2
95.04974	15.5
95.08608	16.1
97.02889	14.4
97.06534	5.3
97.10181	12.8
103.05511	2.1
105.03449	1.5
105.07043	11.4
107.04953	10.8
107.08603	16.6
109.02885	2.5
109.06502	8.6
109.10148	9.2
111.08091	3.3
113.05968	2.6
115.05462	1.9
117.07008	8.9
119.04917	3.5
119.08589	11.9
119.47895	1.3
121.06500	5.5
121.10142	8.4
123.04439	1.8
123.08054	6.8
125.09631	10.8
127.07566	2.9
128.06242	2.4
129.06999	4.4
131.04951	1.4
131.08574	8.5
133.03514	2.7
133.06526	5.9
133.10176	6.7
135.04387	1.4
135.08066	6.0
135.11697	2.6
137.09636	4.3
141.06993	1.6
143.08527	4.0
145.06516	3.3
145.10121	7.3
147.04416	3.5
147.07993	6.5
147.11696	2.8
149.05989	1.4
149.09589	4.7
149.13268	3.3
153.09094	2.2
155.08539	2.0
157.06425	1.3
157.10123	4.4
159.04373	1.5
159.08110	2.6
159.11700	3.8
161.09610	4.6
163.03914	1.8
163.11183	4.2
165.09122	3.0
169.10103	1.4
171.11649	2.8
173.06001	1.9
173.13240	2.1
175.04102	1.4
175.11143	2.0
177.12741	3.4
185.13263	2.8
187.11208	2.5
189.05533	4.3
189.11177	7.3
189.12688	1.4
193.12288	2.2
195.13800	2.3
199.11174	1.7
199.14880	1.6
203.10948	1.8
204.40439	1.5
205.12215	2.0
211.11319	1.8
217.15881	1.5
221.04454	3.1
223.11334	1.7
223.13284	14.1
233.11647	1.8
245.19011	2.1
249.15019	1.6
251.10747	1.2
255.17410	3.5
259.13190	1.5
263.20065	2.4
269.12070	3.7
271.10178	1.3
271.13641	1.2
273.18512	25.7
275.12775	1.3
279.10199	1.5
284.13602	9.8
287.12778	4.0
291.19547	100.0
297.11096	1.8
303.19250	2.9
305.13840	2.3
315.12271	9.3
321.16681	2.7
333.13330	39.6
347.14673	2.3
347.18253	3.4
347.22171	3.1
349.18866	2.1
365.10422	1.4
365.19244	30.3
365.23297	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	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.57759	1.1
53.03941	3.7
55.01871	9.9
55.05261	1.7
55.05511	16.3
56.96564	1.6
57.03236	0.9
57.03439	9.9
57.07067	2.3
59.05006	8.2
65.03928	2.6
67.05508	43.0
69.03413	4.6
69.06780	1.1
69.07070	12.1
71.04987	2.7
71.57480	1.4
72.22259	1.1
79.05064	1.9
79.05499	28.7
81.03427	6.1
81.07063	46.0
83.04981	9.2
83.08601	4.4
85.06538	4.6
91.05482	38.8
93.07052	33.3
95.04968	9.3
95.08616	17.2
95.09184	2.1
96.92417	1.1
97.06534	5.8
97.10181	3.5
99.04475	1.9
99.08085	1.5
103.05471	1.2
105.06395	2.0
105.07043	28.8
107.04942	9.6
107.08596	24.0
109.06517	7.1
109.09470	1.7
109.10165	22.9
111.08080	4.7
113.05988	2.0
117.07005	4.7
119.08579	10.7
121.06518	3.9
121.10149	7.2
123.04343	1.3
123.08064	4.9
123.11660	6.3
125.09599	2.3
128.06242	2.0
129.07004	4.3
131.08582	10.3
133.06503	6.7
133.10135	44.3
135.08061	8.8
135.11714	6.3
137.09592	1.6
139.07547	2.8
139.11119	1.6
141.07042	1.2
143.08537	4.3
145.06557	1.2
145.10159	6.4
147.08055	4.2
147.11682	3.9
149.09592	9.2
149.13258	2.6
151.11189	23.5
157.10155	3.3
159.08121	2.5
159.11722	3.7
161.09572	6.2
163.11121	1.8
167.10754	1.7
169.10104	1.8
169.12265	3.4
171.11671	2.3
173.13251	1.1
175.11229	2.7
177.09161	4.6
179.10764	1.9
183.11761	1.4
185.13235	2.7
189.05394	2.6
189.12712	2.3
195.10095	1.3
205.12073	1.2
209.13185	1.2
215.12921	1.9
217.06137	1.2
227.18045	1.6
233.62085	1.1
245.19087	3.7
253.14357	24.5
259.20621	1.4
263.20074	4.6
269.13754	1.8
273.18512	17.3
291.19604	11.5
333.16901	1.1
347.22156	4.4
365.23074	100.0
366.23453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
65.20997	1.3
67.05506	5.5
69.07075	6.0
71.57491	2.3
71.81255	1.4
79.05480	2.9
81.07053	5.0
85.06556	1.9
91.05476	1.5
93.07071	5.8
95.04973	3.1
95.08615	5.2
97.10152	1.4
105.07055	2.8
107.08611	3.0
109.06590	1.9
109.10220	2.3
110.41580	1.8
111.04453	3.0
113.32376	1.5
119.08585	2.6
121.10130	3.2
123.08122	4.2
131.08591	2.3
133.10042	1.5
135.08105	2.0
135.11769	1.8
145.10158	1.7
151.07600	3.5
152.08379	3.0
154.94217	1.8
157.10194	1.7
161.95158	1.5
165.09135	11.3
172.95288	1.4
179.10727	2.0
181.10089	1.4
195.11760	2.1
207.29893	1.6
221.15587	1.4
263.20404	1.7
268.30801	1.4
305.24771	8.6
318.51981	1.7
319.26440	4.7
330.93668	1.4
333.22623	1.4
347.25842	51.7
365.11014	1.7
365.21024	8.8
365.26996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.3
57.07108	2.4
67.05514	6.1
69.07078	6.8
69.30718	15.2
79.05499	4.7
80.30949	1.9
81.07070	10.1
83.04974	1.9
83.08652	2.1
85.06532	2.9
89.26922	1.7
91.05499	5.1
93.07072	7.6
95.05003	3.5
95.08636	5.6
97.06522	2.0
98.21519	3.7
105.07053	6.1
107.08634	5.1
109.06567	2.0
109.10186	2.1
109.31624	1.7
119.08633	3.4
121.10189	3.3
123.08089	7.0
131.08600	3.4
133.10182	2.7
133.47295	1.6
135.08096	2.1
135.11697	1.9
143.08653	2.6
145.10165	2.0
151.07571	2.8
152.08376	3.5
157.10210	2.1
165.09157	11.0
166.33018	2.0
168.59660	1.8
171.11736	2.2
178.01520	1.7
179.10806	1.8
193.10263	2.6
195.11703	2.6
208.14751	2.0
209.13322	2.3
221.15456	2.1
278.39700	1.8
305.24911	8.4
319.26471	6.7
347.25888	45.8
365.21082	10.9
365.27045	100.0
366.27209	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	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
67.05492	1.2
69.03416	0.5
69.07056	1.6
70.94415	0.7
70.94777	0.9
79.05486	1.4
81.07043	1.5
83.74446	0.4
91.05470	1.0
93.07026	1.3
95.08608	0.9
100.41898	0.4
107.08569	0.9
124.14405	0.4
130.20197	0.4
131.86932	0.4
134.93571	0.4
143.80818	0.4
223.13246	0.8
246.60999	0.4
253.90871	0.4
255.09068	1.2
273.09964	0.8
273.18509	1.0
291.19598	3.2
347.15198	0.4
365.23007	100.0
366.23315	1.2
383.17374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82822	0.4
70.61304	0.5
71.20016	0.8
75.60439	0.6
98.97614	0.6
101.00892	1.1
114.54497	0.5
119.01893	1.7
122.01392	0.8
133.20207	0.5
143.01918	1.9
143.10028	0.5
145.03514	1.0
155.01894	0.8
161.02969	1.1
167.01917	0.8
173.02985	2.1
185.02924	2.3
185.04272	16.8
197.02942	1.2
203.05296	39.9
215.03941	0.7
218.15703	0.5
219.62555	0.5
227.04016	0.6
245.05098	5.1
263.05963	0.9
275.06067	0.7
295.65402	0.5
365.10580	100.0
366.11014	0.5
381.46249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94555	2.0
55.01872	4.4
55.05516	16.3
56.96299	3.5
56.96569	57.1
57.03426	9.0
61.02907	2.1
61.79451	2.2
67.05512	26.5
67.20921	1.9
69.03418	5.9
69.07073	20.4
70.28899	8.6
71.05012	2.9
71.95256	5.8
79.05497	20.2
81.03395	4.9
81.07054	25.8
83.04978	7.4
83.08598	4.6
84.96040	2.9
85.02887	5.3
91.03954	2.9
91.05485	24.2
93.07043	21.0
95.04974	11.1
95.08611	13.9
97.02885	6.3
97.06514	2.7
97.10154	5.6
98.20794	2.3
98.97599	3.3
105.07034	19.7
107.04952	6.1
107.08602	12.0
109.06495	9.2
109.10155	11.6
110.97567	7.3
111.08047	3.8
117.06999	10.5
119.04964	2.3
119.08610	14.9
121.06503	5.3
121.10133	6.1
123.08061	12.3
125.09641	3.5
127.00726	2.5
127.07599	3.2
128.06294	2.2
128.98576	4.7
129.07010	4.9
130.07774	3.7
131.08606	13.8
132.75940	2.1
133.06485	2.5
133.10115	7.8
135.08055	8.9
135.11714	2.3
137.02765	2.9
137.09601	3.1
140.38332	2.1
141.06989	3.2
143.08548	8.9
145.10127	10.3
147.03319	2.4
147.04448	4.5
147.08046	7.1
147.11688	4.0
149.09579	4.7
151.11234	3.6
153.02185	3.1
155.03831	3.2
157.10107	7.4
159.11630	4.8
161.09586	4.9
167.03806	3.8
169.30423	2.2
171.03287	8.7
171.11613	3.3
173.09547	2.2
175.11215	3.7
177.02292	2.4
177.12746	2.7
181.05431	2.3
183.03264	3.1
185.04855	9.4
185.13301	3.5
189.04321	4.3
189.11182	5.0
199.06395	8.9
203.05959	7.5
203.10910	3.0
209.04803	2.8
211.06454	4.8
213.07964	6.4
217.07434	8.7
223.06364	2.2
223.13263	2.8
227.05927	6.2
227.09656	2.7
229.07397	6.4
231.09056	4.4
235.10048	5.1
237.08011	4.9
239.09413	4.3
241.07417	5.4
243.08995	6.4
245.06982	5.8
245.26511	2.4
253.11101	37.3
255.09007	19.6
255.17499	4.3
257.10681	2.8
261.07779	2.4
261.10172	4.1
267.09030	7.6
269.10526	6.2
271.12213	22.1
273.10092	9.5
273.18484	21.4
276.12552	3.8
277.10950	3.0
277.13882	2.3
279.08972	14.5
284.13339	4.5
285.10141	6.2
291.19534	23.9
293.10590	6.9
295.12192	11.9
297.10095	7.5
305.10587	4.4
321.16919	5.3
329.14352	10.1
347.15271	69.3
347.22141	8.6
365.10693	4.4
365.15906	100.0
365.23370	25.9
383.17334	7.4
388.17889	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68824	0.6
55.95559	0.6
69.53815	3.2
69.54216	1.2
101.00867	1.7
104.67592	0.6
113.00896	1.1
119.01903	2.2
131.01921	1.5
143.01906	3.8
145.03484	1.4
155.01936	2.8
161.02974	2.3
167.01953	1.0
171.29938	0.6
173.02971	2.1
185.02925	2.4
185.04288	17.0
197.02951	1.6
203.05295	42.7
215.03990	1.1
227.03979	1.3
239.43509	0.7
245.05125	9.6
257.05167	0.7
263.06107	2.3
365.10785	100.0
366.10907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2693
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
55.05510	3.8
56.05026	1.1
57.03421	0.7
57.05392	0.5
57.07064	0.5
58.06601	1.0
60.04528	24.2
61.04865	1.0
62.04959	0.9
67.05506	6.6
68.05028	3.5
69.03410	1.5
69.07079	2.4
70.06583	2.1
71.04986	0.9
72.04511	3.6
73.02924	1.4
74.06076	0.9
79.05495	3.4
80.05022	6.2
81.03466	0.5
81.07056	6.0
82.06588	2.3
82.07381	0.8
83.04978	0.9
83.08624	1.1
84.04500	0.9
84.08138	0.7
85.02895	0.7
86.06068	1.3
90.05547	2.1
93.05785	0.6
93.07043	3.5
94.06567	3.9
95.06876	0.9
95.08609	5.7
96.04502	2.7
96.08131	1.4
97.10170	1.1
98.06064	2.2
105.07009	1.0
106.06573	1.4
107.08591	2.5
108.08105	0.8
109.10152	2.1
110.06021	3.7
110.63661	0.5
111.08096	0.9
114.05545	1.8
116.07105	1.0
119.08593	0.7
120.08133	1.6
121.10162	1.4
122.06030	1.5
122.09656	1.0
124.07625	0.8
129.06956	0.5
131.08455	0.6
132.06563	17.1
133.06897	1.4
133.10165	1.0
134.07043	1.5
134.09677	0.7
135.11696	0.8
148.11226	0.6
158.08202	0.6
174.12807	0.5
188.56190	0.5
226.21671	0.5
244.20694	1.9
250.21591	1.7
260.20108	0.9
262.21667	6.1
264.22891	1.1
266.21252	0.6
268.22644	5.0
272.20029	0.6
274.21664	4.5
278.21310	0.6
280.22342	1.6
282.23874	0.7
286.23520	0.5
290.21298	0.9
292.22614	6.6
308.22287	0.6
310.23581	6.2
328.24652	9.4
346.25522	22.9
364.26645	100.0
365.26901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2694
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
55.05517	3.8
56.05025	1.8
57.03419	0.8
57.07074	3.0
58.06579	0.8
60.04528	19.1
65.03944	0.5
67.05511	4.3
68.05040	3.2
69.03423	0.9
69.07067	2.7
70.06583	1.9
71.04996	2.9
71.08130	1.2
72.04497	2.1
72.08151	0.8
73.02885	0.6
74.06053	1.4
79.05490	2.3
80.05011	4.5
81.07059	4.9
82.06570	2.0
83.08612	1.1
84.04490	1.6
85.02877	1.0
85.06532	1.4
86.06074	2.7
86.09729	0.6
90.05538	2.5
93.05811	0.6
93.07046	2.3
94.06559	2.9
95.04971	0.5
95.08607	4.7
96.04470	1.6
96.08141	0.6
97.10107	0.6
98.06046	1.7
100.07606	0.8
105.07047	1.1
106.06571	1.3
107.08596	1.8
108.08117	0.8
109.10156	1.9
110.06085	3.0
110.09689	0.6
113.09650	0.4
114.05534	1.6
114.65864	0.5
116.07079	0.7
119.08593	0.5
120.08134	1.3
121.10128	1.2
122.06013	0.6
123.11713	0.7
124.07591	0.7
132.06569	13.9
133.10181	0.8
134.09644	1.0
135.11685	0.5
136.06245	2.3
147.11691	0.7
177.16342	0.5
226.21680	2.5
238.21716	0.6
240.23233	1.1
244.20631	1.3
246.22302	0.8
250.21696	4.0
252.23257	1.5
262.21707	6.3
264.23206	3.0
268.22739	4.5
274.21671	2.5
280.22723	3.7
282.24164	0.9
286.23846	1.7
292.22720	5.8
310.23730	5.2
328.24820	6.9
346.25870	16.9
364.19604	3.2
364.26938	100.0
365.15909	0.6
365.27246	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
56.05026	1.1
57.03421	0.7
57.05392	0.5
57.07064	0.5
58.06601	1.0
60.04528	24.2
61.04865	1.0
62.04959	0.9
67.05506	6.6
68.05028	3.5
69.03410	1.5
69.07079	2.4
70.06583	2.1
71.04986	0.9
72.04511	3.6
73.02924	1.4
74.06076	0.9
79.05495	3.4
80.05022	6.2
81.03466	0.5
81.07056	6.0
82.06588	2.3
82.07381	0.8
83.04978	0.9
83.08624	1.1
84.04500	0.9
84.08138	0.7
85.02895	0.7
86.06068	1.3
90.05547	2.1
93.05785	0.6
93.07043	3.5
94.06567	3.9
95.06876	0.9
95.08609	5.7
96.04502	2.7
96.08131	1.4
97.10170	1.1
98.06064	2.2
105.07009	1.0
106.06573	1.4
107.08591	2.5
108.08105	0.8
109.10152	2.1
110.06021	3.7
110.63661	0.5
111.08096	0.9
114.05545	1.8
116.07105	1.0
119.08593	0.7
120.08133	1.6
121.10162	1.4
122.06030	1.5
122.09656	1.0
124.07625	0.8
129.06956	0.5
131.08455	0.6
132.06563	17.1
133.06897	1.4
133.10165	1.0
134.07043	1.5
134.09677	0.7
135.11696	0.8
148.11226	0.6
158.08202	0.6
174.12807	0.5
188.56190	0.5
226.21671	0.5
244.20694	1.9
250.21591	1.7
260.20108	0.9
262.21667	6.1
264.22891	1.1
266.21252	0.6
268.22644	5.0
272.20029	0.6
274.21664	4.5
278.21310	0.6
280.22342	1.6
282.23874	0.7
286.23520	0.5
290.21298	0.9
292.22614	6.6
308.22287	0.6
310.23581	6.2
328.24652	9.4
346.25522	22.9
364.26645	100.0
365.26901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2695
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
53.03944	0.8
55.01868	1.3
55.05516	2.5
56.05031	2.1
57.03431	1.1
57.07066	0.5
58.06593	0.6
59.61024	0.4
60.04530	8.9
62.06082	0.5
65.03928	0.3
67.05167	0.5
67.05507	6.2
68.05009	1.3
69.03423	1.3
69.07069	1.9
70.06596	4.0
70.73299	0.6
70.73630	0.6
71.04995	7.2
72.04512	1.0
74.06085	1.0
79.05496	4.6
80.05029	5.4
81.03418	0.9
81.07065	6.5
82.06583	2.7
83.04993	0.7
83.08629	0.6
84.04499	0.5
84.08140	1.0
85.06540	1.0
86.06065	0.5
86.09713	0.7
87.04458	0.5
90.05550	0.6
93.07043	4.6
94.06573	6.4
95.04950	0.7
95.08610	4.9
96.08137	1.4
97.06532	3.3
98.06062	2.0
105.07052	1.7
106.06565	0.5
107.08614	1.9
107.09235	0.4
108.08115	1.3
109.06495	0.4
109.10155	1.5
110.09665	0.5
111.08086	1.1
116.07101	1.0
117.07012	0.7
119.08560	1.7
120.08084	1.0
121.10150	1.6
122.09641	0.5
123.08109	0.5
123.11697	0.6
124.07610	0.7
124.11275	0.4
125.09644	0.4
131.08565	0.9
133.10133	1.3
134.09645	0.9
135.11682	0.5
136.11235	0.4
138.12785	0.5
145.10110	1.0
147.11652	0.6
148.11269	0.4
159.11659	0.5
162.12857	0.4
184.17004	0.6
187.14496	0.8
189.16487	0.4
193.12250	0.6
194.15395	0.5
200.16504	0.5
201.16373	0.5
210.14908	0.7
218.19034	0.6
222.18620	0.6
224.20068	1.2
226.21820	0.5
236.20099	10.7
244.20549	0.8
254.21132	8.2
258.20685	0.5
262.21646	1.4
264.23260	0.5
272.22183	0.7
274.21841	1.9
285.16800	0.4
290.23257	2.7
292.22733	3.3
302.19577	0.6
310.23724	2.7
328.24814	7.4
346.22095	1.7
346.25870	4.9
364.26920	100.0
365.27466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.52187	1.0
55.01871	1.5
55.05506	2.9
55.11853	1.4
56.05015	2.9
56.96556	2.4
57.03437	2.6
60.04535	30.0
61.02902	1.2
64.05968	1.3
67.05505	4.6
68.05025	4.1
69.03428	5.2
70.06593	1.8
70.41637	3.8
71.04997	23.2
72.04516	2.2
74.06068	3.0
79.05493	11.5
80.05029	6.3
81.03409	3.4
81.07047	5.4
82.06596	2.5
83.04981	2.5
84.04471	2.9
84.96033	1.4
85.02892	5.6
90.05544	3.9
91.05478	5.9
93.05791	1.3
93.07059	3.1
94.06557	5.2
95.04979	2.0
95.08021	1.3
95.08601	5.0
96.04489	3.9
96.08133	2.7
97.06521	2.4
98.06069	2.4
98.97580	4.0
105.07042	3.3
106.06564	2.7
107.08591	2.1
109.06518	1.3
109.10127	1.6
110.06035	5.3
111.08052	1.4
113.26511	1.3
114.05572	1.9
116.07044	1.3
117.06963	1.6
119.04987	1.4
119.08588	1.4
120.08119	2.4
121.10129	1.3
122.06019	4.8
123.04417	1.7
123.08076	2.3
124.07600	4.1
125.09637	1.7
127.07542	3.3
128.98610	1.6
132.06595	13.2
134.09654	1.6
135.08086	1.6
136.07552	3.6
138.09181	2.1
140.07082	2.8
141.07011	1.3
142.08623	5.0
144.08112	1.3
146.09689	1.9
147.04471	2.2
148.11270	1.6
158.08131	4.0
162.09084	1.3
164.10669	1.4
167.07080	31.6
176.10710	4.8
182.11806	1.7
188.10736	2.5
194.11790	2.9
202.10706	2.0
202.14432	1.6
203.05315	3.5
206.11818	5.4
222.14867	2.2
224.12808	5.5
237.02769	2.3
240.15958	1.5
242.13875	19.8
257.03296	1.4
258.17035	1.6
260.14966	19.7
262.18088	2.8
274.18088	3.7
292.19073	4.2
310.20190	8.8
328.17468	2.1
328.21194	23.5
328.27054	1.6
346.18011	3.2
346.22260	64.2
364.23264	100.0
364.26825	5.2
365.05371	3.2
365.10596	7.0
365.23804	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	364.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05505	0.6
57.03432	0.3
63.06673	0.2
63.20253	0.2
67.05496	0.7
69.07062	0.3
70.27476	0.2
70.27812	0.6
79.05489	1.0
81.03414	3.3
81.07065	1.1
83.04984	0.7
83.08616	1.2
85.02901	0.6
93.07050	0.4
94.04055	0.6
95.04969	0.9
95.08626	0.5
98.97556	0.2
105.07030	0.8
107.04902	0.3
107.08573	0.6
108.02540	0.2
111.08110	0.5
119.03543	1.4
119.08590	0.7
121.10175	0.3
125.09696	0.2
129.07025	0.4
131.08571	0.6
133.10130	0.4
136.06181	100.0
137.04572	0.5
137.06537	0.4
138.41689	0.2
147.11696	0.5
149.09610	0.5
154.07210	0.2
157.10123	0.6
158.11737	0.2
174.07707	1.3
175.08601	0.2
175.11208	0.6
193.12212	1.7
211.13283	2.3
220.03311	0.2
292.66272	0.2
302.17627	0.3
310.16513	0.5
328.17505	1.0
346.18762	2.2
364.19763	38.0
365.20117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.11395	0.4
56.96557	0.9
57.03425	0.9
58.85737	0.4
62.76146	0.4
67.05506	2.4
69.03424	0.8
69.07055	1.1
70.06589	1.1
71.05018	0.6
72.08150	0.9
79.05481	1.3
81.07049	1.6
82.09412	0.4
83.08629	0.7
85.02895	0.9
91.05486	1.6
93.07046	1.2
95.04958	0.5
95.08607	1.0
96.08923	0.4
97.06519	0.7
97.10186	0.6
98.97581	1.0
105.07028	0.6
107.08565	0.6
108.08041	0.4
109.06518	0.7
109.10156	1.7
117.07042	0.5
119.08601	1.2
121.06509	1.0
122.96686	0.4
124.07568	0.4
131.08568	0.4
133.10112	0.4
135.08116	0.6
136.06183	1.5
147.04465	0.6
159.11800	0.5
173.11673	0.5
212.81853	0.4
229.14391	2.5
234.13557	0.6
293.18591	0.5
294.63379	0.4
332.14697	100.0
333.15005	1.7
364.17416	7.5
364.21240	0.8
364.25140	3.8
365.19348	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.05034	0.9
56.63943	0.7
56.96574	1.2
57.03449	1.3
60.04532	10.5
61.02911	0.7
61.66758	0.6
67.05502	1.8
68.05025	1.2
69.03426	2.5
69.80328	2.8
71.04992	6.1
73.02917	0.9
74.06111	1.2
78.04720	1.8
79.05500	4.4
80.05012	1.9
81.03429	1.7
81.07058	2.5
84.04533	0.9
85.02911	5.0
86.06089	0.8
93.07040	1.9
94.06581	0.9
96.04558	0.8
96.08106	0.8
97.02875	1.6
97.06520	1.2
98.97595	2.0
105.07029	1.1
106.04176	1.0
107.08643	0.8
108.08125	0.8
116.98611	1.4
119.04894	0.8
122.06041	1.1
123.04477	4.1
123.79467	0.7
124.05229	1.4
127.03967	0.8
132.06573	5.0
137.06006	0.8
140.07065	0.9
142.08640	1.2
143.81807	0.8
145.04971	1.0
145.64853	0.8
147.04385	3.5
155.06953	0.8
156.13832	1.7
163.03918	0.9
167.07051	100.0
176.10724	1.0
180.08717	0.8
199.71942	0.6
200.58327	0.7
202.14418	2.4
204.13872	0.8
206.11800	1.1
213.90993	0.8
215.58652	0.7
219.01759	1.2
224.12785	1.3
237.02695	1.1
242.13841	3.2
260.14938	4.5
262.18024	1.0
267.81674	0.7
274.18005	0.7
292.19141	1.6
304.13132	1.0
310.20151	2.0
328.21194	6.9
346.22260	21.3
346.26245	1.5
364.23260	28.9
364.26889	1.9
365.05722	0.7
365.10855	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.3
53.03942	0.4
54.11459	0.2
55.01867	0.3
55.05511	2.6
57.07074	5.5
58.43614	0.3
67.05508	4.7
69.07073	3.5
70.08504	0.8
71.04985	0.6
71.08633	4.3
79.05489	3.4
81.07060	8.9
83.04971	0.6
83.08608	1.4
85.06542	2.8
89.06015	0.7
91.05478	1.9
93.07056	3.8
95.04955	0.6
95.08608	7.5
97.06528	1.0
97.10193	0.7
99.08088	2.7
105.07040	2.7
107.08591	2.9
109.06524	20.0
109.10169	2.6
110.07260	0.3
111.08096	0.9
117.06945	0.3
119.08587	3.2
121.06452	0.3
121.10158	2.6
122.07296	2.0
123.08075	26.9
123.11709	0.9
131.08589	0.6
133.10143	2.0
135.08047	3.3
135.11694	0.9
136.08904	0.3
137.09584	1.0
137.13284	0.6
139.11139	0.4
145.10130	0.9
147.11693	1.9
149.09650	0.6
149.13252	0.5
151.14862	0.4
157.10066	0.3
159.11705	0.6
161.13322	0.5
163.11244	0.3
163.14804	0.6
165.12749	1.3
167.14334	0.9
175.14909	0.5
179.14314	100.0
180.14720	0.7
191.14311	0.3
193.15906	3.4
205.15900	0.6
207.17604	0.3
259.55554	0.3
289.25418	0.6
307.22729	0.6
331.26309	4.5
345.27951	0.6
363.28925	96.6
364.29312	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.4
57.07064	3.9
57.50806	0.7
59.04991	0.9
60.30408	0.7
67.05228	0.6
67.05513	6.1
69.07072	6.8
71.04988	0.7
71.08622	2.3
71.57891	1.0
74.74537	0.6
79.05492	2.9
80.53597	0.6
81.07060	8.8
83.04984	0.7
83.08614	2.7
85.06540	1.9
89.06020	2.2
91.05486	1.8
93.07038	4.6
95.08616	8.3
97.06528	1.9
97.10165	1.3
99.08096	1.4
105.07044	2.4
107.08591	4.5
109.06529	13.7
109.10178	4.0
111.08096	1.1
119.08581	2.1
121.10153	3.6
122.07293	1.1
123.08078	44.8
123.11680	1.6
131.08577	0.7
133.08626	1.0
133.10126	2.7
135.08063	3.8
135.11658	1.5
137.09610	2.8
147.11653	2.1
149.09592	1.7
149.13229	2.0
159.11656	1.0
161.13280	1.0
165.12772	1.7
167.14372	1.0
179.14325	46.2
193.15874	1.4
195.12247	1.2
248.19478	0.7
268.80215	0.7
275.19943	1.1
295.22433	0.7
307.22760	3.8
331.26343	4.4
339.85297	0.6
363.28949	100.0
364.29233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58845	0.6
52.57445	0.6
53.03938	0.8
55.05522	5.5
57.07060	1.7
67.05507	5.9
68.81210	0.6
69.07068	9.8
69.35461	3.0
69.35866	2.0
78.01382	0.6
79.05499	3.7
81.07063	8.8
83.04989	0.7
83.08634	4.2
85.10225	0.7
87.23832	0.7
91.05479	2.5
93.07046	5.5
95.04970	2.1
95.08607	9.3
97.06538	2.2
98.21454	1.1
99.08102	0.7
105.07044	4.6
107.08604	5.9
109.06528	7.7
109.10145	4.7
111.08096	2.6
119.08614	4.6
121.06557	0.7
121.10149	5.4
123.08075	45.2
123.11690	2.4
126.56737	0.7
131.08594	1.0
133.10109	3.4
135.08078	4.0
135.11708	1.9
137.09613	3.8
137.13297	1.1
143.08540	0.8
145.10118	1.5
147.11682	2.8
149.09682	0.7
149.13257	1.8
157.10030	0.6
159.11659	1.9
161.13245	1.4
167.14322	0.7
179.14328	13.4
246.53696	0.6
275.19949	1.1
282.58609	0.7
289.25159	0.7
303.26932	0.8
307.22708	6.4
331.26340	3.6
354.91678	0.7
363.28943	100.0
364.29123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59302	0.4
55.01860	0.8
55.05518	4.1
57.03447	0.6
57.07058	1.5
59.04988	0.8
67.05497	3.7
69.06733	0.7
69.07072	7.6
69.55700	1.8
69.56118	1.6
71.04980	0.7
71.08616	1.0
73.06535	0.6
79.05501	3.5
81.07057	8.5
83.08607	3.5
85.06538	0.9
91.05470	1.6
93.07050	4.3
95.04990	0.6
95.08609	8.4
97.06533	1.9
97.10130	0.8
99.08093	0.9
105.07045	2.4
107.08602	5.0
107.40268	0.5
109.06521	8.1
109.10133	4.1
111.08070	1.4
119.08587	4.0
121.10147	2.9
123.08070	48.3
123.11690	2.0
125.09632	0.5
129.13084	0.4
131.08565	0.7
133.10124	2.0
135.08054	3.7
135.11713	1.0
137.09631	3.3
137.13161	0.6
145.10127	1.0
145.47560	0.5
147.11693	2.2
149.09644	1.4
149.13277	2.3
151.11179	0.8
159.11691	1.3
161.13275	1.4
163.11113	0.8
165.12724	1.0
167.14264	0.6
173.13203	0.8
177.12624	0.7
179.12732	0.9
179.14320	17.8
193.15826	0.9
233.19035	0.8
263.20126	0.6
275.20050	1.2
289.25241	0.5
303.26559	0.6
307.22696	7.3
331.26328	4.4
363.28928	100.0
364.29135	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36949	0.4
61.71206	0.4
68.59748	0.4
71.07787	0.5
71.08106	0.5
82.72337	0.4
107.08548	0.4
127.19299	0.4
128.18953	0.4
137.05746	0.8
235.13133	0.7
237.03177	0.4
363.21432	100.0
364.21744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2144
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
52.51064	0.4
55.27172	0.3
56.96568	0.5
61.51755	0.3
69.92001	1.7
69.92406	0.7
70.16261	0.4
72.13588	0.5
72.70634	0.4
80.07274	0.3
87.13058	0.4
90.98059	0.4
129.44397	0.5
137.05771	1.4
147.94769	0.4
193.03220	0.4
235.13065	4.1
249.14600	1.0
265.14014	0.4
275.19211	0.4
363.21432	100.0
364.21661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61007	8.7
56.96560	11.9
60.58537	9.8
69.92581	34.9
95.08588	12.4
98.21458	10.8
104.97289	8.9
115.38860	12.1
181.59769	10.2
281.00302	10.4
338.61551	9.8
354.18811	9.6
363.18893	100.0
367.37595	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2141
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
69.03435	0.7
71.42675	0.6
71.43047	1.1
73.62145	0.6
75.60079	0.6
81.07053	0.8
84.64787	0.6
87.04366	0.5
88.07572	0.7
91.05469	0.5
106.06536	0.6
171.61040	0.6
193.90166	0.6
239.12413	0.7
249.14644	0.9
265.14136	4.7
345.11508	1.0
363.21420	100.0
364.21765	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	363.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39526	0.7
60.33709	0.7
61.42846	0.6
66.30032	0.7
67.05515	1.3
69.07041	0.7
71.57400	0.7
71.57827	0.9
77.97965	0.8
79.05489	1.2
81.07062	1.7
82.58807	0.6
93.07025	0.8
95.08628	1.0
97.06496	0.8
116.40695	0.7
116.94302	0.7
132.72481	0.7
145.10069	1.0
230.20009	0.7
235.13124	1.0
239.12489	4.9
279.15536	0.9
363.21442	100.0
364.21661	1.7
382.98151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96585	12.3
58.68618	12.0
60.50983	11.3
69.44448	31.2
69.44872	59.4
82.60281	13.3
92.88711	12.2
98.20699	19.0
103.92858	12.0
114.26975	11.9
119.23668	12.2
127.97630	13.4
145.82538	10.1
173.64990	10.8
178.00723	11.1
217.72154	10.7
240.22423	13.4
258.64130	11.4
270.82278	10.4
363.19138	100.0
366.45071	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	363.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53791	13.9
59.52541	14.2
67.05499	54.4
69.07051	23.5
71.58144	15.3
79.05496	46.7
81.07067	41.6
91.05484	32.2
93.07062	75.8
95.08639	41.6
105.07027	20.3
107.08584	28.3
121.10154	28.2
179.14392	18.5
221.02823	18.1
236.35709	19.3
237.62701	16.3
290.10193	14.5
363.19077	70.3
363.25085	100.0
363.28891	26.9
364.24808	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02366	1.9
51.01213	1.9
55.01853	2.0
55.05515	15.3
55.70688	2.1
57.03421	2.8
57.07075	8.8
58.06599	2.5
60.49645	1.9
67.05508	50.3
69.07058	8.0
69.74051	9.4
70.06590	15.4
71.05000	2.5
71.08620	7.7
76.02230	2.1
79.05521	10.5
81.07065	24.7
83.08637	11.8
85.10184	2.8
88.07621	4.7
91.05480	6.1
93.07051	15.6
95.08606	12.7
97.06531	4.0
97.10190	11.6
99.08095	11.4
102.09155	3.0
105.07011	4.1
107.08603	10.2
109.10162	35.9
111.08086	3.7
113.09634	2.0
114.32162	2.0
119.08594	7.5
121.10164	6.8
123.08096	2.8
123.11732	3.0
125.09639	12.4
131.08562	3.1
132.10204	6.0
133.10110	5.5
135.08034	3.3
135.11681	5.5
137.09666	2.2
140.64096	1.7
146.11765	8.4
149.13271	8.4
151.11165	3.5
153.09120	2.5
155.10666	24.0
159.11678	4.4
161.13242	2.0
173.11754	40.9
177.12750	3.5
184.03735	2.4
187.13297	46.8
195.13794	13.1
202.32967	2.2
203.12830	18.5
212.23729	1.9
227.16367	8.7
229.16599	1.8
241.03650	1.9
256.26367	17.5
259.20572	4.5
277.21603	25.2
291.23123	2.8
295.22531	3.5
300.29025	32.4
309.24216	12.8
362.32642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04525	0.5
66.86672	0.3
69.27612	2.1
69.28031	0.9
70.06586	0.7
72.08145	1.3
85.02893	0.5
86.09698	0.5
89.79995	0.3
91.05454	0.4
98.97594	0.5
113.07127	0.6
113.17884	0.3
119.04924	0.3
147.04410	0.7
149.43500	0.4
180.99557	0.3
201.10966	4.0
228.73302	0.3
267.73383	0.4
303.12903	1.0
327.23325	0.6
327.26794	0.9
363.16266	100.0
364.16513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	2.6
55.05511	3.4
56.05025	2.6
57.03431	1.3
57.07068	0.6
58.06573	1.2
60.04527	16.9
67.05511	6.0
68.05013	2.4
69.03421	2.7
69.07059	1.5
69.82457	2.6
69.82864	1.3
70.06590	4.1
71.04992	5.7
72.04504	1.7
74.06057	0.6
79.05503	4.0
79.54608	0.6
80.05016	8.4
81.03407	2.3
81.07056	5.1
82.06566	2.7
83.04966	1.4
83.08601	0.8
84.04487	0.8
84.08128	1.4
85.06543	0.8
86.09718	0.8
87.04475	1.5
91.05508	2.9
93.07046	4.2
94.06015	1.0
94.06570	12.9
95.04971	0.9
95.08624	3.8
97.06530	7.0
98.06052	2.7
98.21478	0.7
105.07018	2.8
106.06564	1.0
107.04900	0.7
107.08591	2.1
108.08120	1.7
109.06441	0.6
109.10169	0.8
110.06042	1.3
110.09606	0.8
111.08070	2.3
116.07092	1.3
117.07004	1.2
119.08569	2.2
120.08088	2.3
121.10136	1.6
122.09667	1.1
123.08067	1.0
131.08566	0.9
132.06541	1.8
133.10118	1.6
134.09631	1.8
135.11711	0.8
145.10071	0.9
147.04393	0.7
147.11633	0.6
148.11230	0.8
167.82668	0.6
179.14311	1.1
192.13896	0.8
222.18523	1.9
231.22307	0.7
234.18564	6.5
240.19656	0.9
252.19611	7.0
260.20123	2.9
262.21600	1.7
266.21182	1.1
270.20654	4.9
272.20096	2.5
278.21124	1.6
290.21140	6.6
296.21857	0.6
308.22244	3.7
326.23245	11.1
344.24316	63.5
345.24750	1.0
362.25366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.3
55.05444	2.2
55.83595	0.5
56.04979	1.4
56.05215	0.5
57.82109	0.5
60.04451	17.4
60.04785	2.3
61.23807	0.5
65.50455	0.5
67.05429	4.3
68.04951	1.7
69.03345	2.6
69.06993	2.1
69.33122	4.2
69.33496	0.7
70.06534	0.8
71.04915	3.3
71.54752	0.5
72.04437	2.3
73.02837	0.5
74.06024	0.7
79.05402	2.5
80.04930	5.6
81.03339	1.4
81.06971	4.4
82.06497	1.9
83.08563	0.8
84.04462	0.8
84.08083	0.7
85.02846	1.2
89.29178	0.5
90.05466	2.6
91.05404	1.8
92.04945	0.9
93.07046	2.7
93.83813	0.5
94.06571	4.2
95.04885	1.0
95.08620	4.1
96.04408	2.0
96.08070	1.2
97.06534	7.2
98.05984	1.9
98.21588	0.5
102.05460	0.6
105.06992	1.4
106.06482	1.1
107.08476	1.8
108.04383	0.6
108.08031	1.5
109.06469	0.9
109.10069	1.8
110.05932	2.2
110.09628	0.9
111.08080	1.0
114.05450	1.0
116.07015	0.6
119.08505	0.7
120.08008	2.3
121.10066	1.1
122.05942	1.0
124.07521	0.7
131.08531	1.0
132.06573	18.3
132.08020	0.9
133.10069	1.0
134.09554	0.6
164.10635	0.6
190.15866	0.8
203.11249	0.5
208.16789	0.6
211.16867	1.5
218.15268	1.7
220.16937	0.8
222.18491	0.6
224.20100	2.9
236.19861	0.7
237.18416	1.9
238.21710	0.8
242.19130	0.6
244.20500	0.5
248.16348	0.6
248.20172	4.5
250.21701	1.2
252.19525	1.1
252.51239	0.6
260.20105	11.0
262.21683	2.9
266.21185	7.5
272.20071	6.0
278.21072	3.5
290.21143	13.2
296.02524	0.5
308.22208	8.2
326.23294	18.5
344.24319	70.4
345.70221	0.5
362.25372	100.0
363.25650	1.6
383.49805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2536
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
50.52917	0.7
55.01873	1.2
55.05503	2.7
56.05033	1.7
57.03449	0.7
59.92884	0.7
60.04531	19.2
60.56065	0.7
62.70290	0.6
67.05502	4.2
68.05015	2.6
68.53773	0.7
69.07040	1.9
69.87594	3.5
70.06590	1.3
72.04500	2.2
74.06061	0.6
79.05489	2.4
80.05016	5.1
81.03426	0.9
81.07066	5.0
81.17568	0.8
82.06551	1.9
83.04950	1.2
83.08615	0.9
84.04494	1.0
85.02863	0.7
85.06548	1.2
86.06036	2.0
90.05553	2.7
91.05472	1.3
92.05024	1.2
93.07030	3.0
94.06563	5.2
95.08596	2.8
96.04485	1.6
98.06060	1.9
105.07031	1.1
106.06544	1.7
107.07330	0.7
107.08583	1.9
108.08134	1.0
109.10181	1.4
110.06055	2.1
111.08092	2.2
112.68006	0.7
114.05524	0.9
117.07076	0.9
117.54010	0.7
117.97186	0.7
120.08086	1.7
121.10052	0.6
122.06053	1.4
124.07660	0.8
132.06578	17.5
132.08116	1.3
133.10138	1.1
152.35429	0.8
168.13766	1.1
176.14359	0.8
204.13795	2.4
206.15471	1.2
207.86905	0.7
211.17047	1.6
224.20105	2.8
232.16913	1.4
237.18561	1.4
238.21651	1.4
247.18210	0.7
248.20137	2.4
250.21706	0.8
252.19597	1.1
260.20139	11.1
262.18170	1.5
262.21710	4.1
266.21152	5.3
272.20129	3.9
278.21149	4.3
280.22913	0.9
284.22046	1.2
290.21188	13.0
308.22165	6.2
326.23279	11.1
344.24301	32.5
362.25372	100.0
364.17041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2327
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
50.79429	0.2
55.05521	1.6
60.04524	0.4
67.05501	0.5
69.03430	0.2
69.07067	0.6
70.06586	0.4
70.52654	0.6
79.05492	0.3
81.03374	0.2
81.07053	0.6
83.08603	0.3
91.05477	0.6
93.05829	0.2
93.07057	0.5
94.06586	0.3
95.05009	0.3
95.08610	0.6
96.43061	0.2
97.06528	0.4
105.07043	0.4
106.06555	0.4
107.08578	0.3
108.08146	0.2
117.05777	1.8
118.06554	2.3
119.07309	0.3
120.25159	0.2
130.06531	0.9
131.08560	0.3
132.08105	7.0
133.05269	0.5
133.08907	1.5
134.06020	0.7
134.09651	1.0
136.06216	2.6
143.07333	0.3
144.08139	1.1
145.08910	0.3
146.06023	7.3
146.09666	0.9
147.04398	0.4
147.06761	0.7
148.07573	0.3
150.09247	0.4
156.08102	0.7
157.08861	0.2
158.09625	1.0
159.06813	0.4
160.07603	1.0
160.11250	0.5
161.08347	0.4
162.09166	4.0
170.09698	0.2
172.07585	0.4
174.09154	0.8
176.07156	0.6
176.10725	11.4
176.12280	0.5
177.11514	7.3
178.08652	0.3
178.12227	0.6
184.11290	0.3
188.10716	0.6
190.08652	19.1
190.12267	0.7
191.09293	0.6
202.12375	0.3
204.10275	1.4
204.14001	0.4
205.10980	0.5
218.11819	1.1
220.13329	2.0
258.18634	0.7
268.17120	0.3
286.18048	5.1
318.20712	0.7
334.23914	0.5
344.21875	1.2
362.23270	100.0
363.23538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1987
Annotation	Arg Trp
Peak:m/z	Relative Intensity
61.36419	0.5
67.05506	0.8
70.17071	2.0
74.93141	0.5
79.05485	0.7
82.92191	0.5
87.51929	0.5
93.07067	0.6
93.46095	0.5
95.01020	0.5
95.04979	0.7
95.08613	0.7
99.63994	0.5
105.07033	0.7
107.08627	0.7
127.03874	0.5
135.11752	0.5
136.64279	0.5
147.04375	0.8
150.99280	0.5
157.07880	0.6
173.11707	0.5
291.12177	0.5
361.19901	100.0
362.20175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82909	0.4
51.74109	0.4
55.62175	0.4
56.30323	0.4
62.28602	0.4
71.51204	0.4
79.15866	0.4
91.64122	0.4
98.20725	1.1
102.31044	0.4
108.80971	0.4
161.59737	0.4
167.11554	0.4
277.14145	0.6
361.23505	100.0
362.23932	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	362.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01852	2.0
55.05512	6.8
56.05026	3.0
56.96558	2.4
57.03442	1.9
60.04528	8.8
60.30194	1.2
67.05504	9.7
67.61639	1.2
68.05009	3.3
69.03432	34.1
69.07071	7.8
69.25536	1.2
70.06595	17.8
71.04990	4.1
71.57581	1.2
72.04518	9.8
72.08132	2.1
74.06025	1.0
75.95192	1.2
76.70969	1.0
79.05479	7.7
80.05006	3.9
81.03413	3.9
81.07053	6.0
82.06580	8.4
83.04982	1.4
83.08645	3.0
84.04501	4.1
84.08140	15.3
85.02890	4.7
85.06559	1.2
86.06066	16.9
86.09687	1.9
87.04469	48.9
91.05481	6.7
93.07041	5.3
94.06567	7.5
95.04974	1.9
95.08623	6.0
96.04500	2.8
96.08126	5.3
97.02895	1.8
97.06532	9.8
97.10176	2.3
98.06059	40.1
98.97590	2.0
102.05523	5.3
104.07081	6.1
105.07011	3.8
107.04929	1.8
107.08573	3.7
109.02845	1.2
109.10165	2.3
110.06027	1.1
110.09661	2.5
112.07609	56.9
114.05516	3.2
116.07099	11.9
119.04905	1.9
119.08604	5.7
120.08046	1.8
121.10127	2.1
122.06010	2.5
123.08102	1.4
123.11719	1.4
124.07585	3.8
125.09663	1.5
126.05520	40.5
127.03882	2.5
128.07069	1.9
130.06512	1.3
130.08643	6.1
132.06566	5.2
133.10121	1.8
135.11673	1.6
136.07622	1.3
137.09596	5.7
138.09099	3.5
140.07074	13.9
142.08647	7.8
144.05518	2.0
144.06561	23.7
146.05946	1.1
147.04431	6.3
147.08084	2.8
147.11667	1.8
149.09607	5.8
152.07018	2.5
156.10187	6.1
158.08131	35.7
161.09549	1.6
163.11220	2.8
165.09163	1.2
170.11740	5.1
176.14349	1.5
182.11772	1.4
188.09229	2.9
196.13297	1.7
200.12830	14.5
208.13283	1.5
210.14838	1.9
214.14412	4.3
222.14838	2.7
228.15973	10.4
232.13295	3.4
242.13908	2.6
248.20184	1.2
250.14452	1.8
256.15350	7.1
258.17047	1.2
260.20102	2.8
264.10831	1.5
272.14542	3.2
272.18457	13.7
282.15912	1.1
284.18378	1.5
290.21252	2.9
291.20215	1.2
294.17123	1.7
300.18082	8.2
301.18796	11.0
308.22119	2.3
318.19135	15.7
326.19510	4.1
326.23224	5.6
327.26471	2.1
328.26862	1.3
344.20532	3.9
344.24286	11.9
362.21640	100.0
362.25479	17.1
363.22037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18198	0.7
55.05521	1.1
56.96566	1.7
60.87426	0.7
67.05509	2.3
71.57155	1.4
72.11051	0.6
79.05532	1.5
81.07068	2.5
84.70551	0.7
85.02911	0.9
91.05507	2.0
93.07050	1.8
95.05011	1.1
95.08613	0.9
97.02862	0.8
105.07047	1.6
107.08624	1.4
109.10168	1.8
119.08580	0.9
121.10154	1.3
127.94359	0.7
142.35997	0.7
145.10179	1.1
147.04460	1.6
150.89189	0.8
183.11714	0.8
189.44824	0.8
229.25185	0.7
272.94516	1.0
273.81396	0.7
327.26654	0.9
343.18958	1.4
360.66434	0.9
361.19986	100.0
361.24109	9.4
362.20413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1983
Annotation	Arg Trp
Peak:m/z	Relative Intensity
50.06795	0.5
55.43994	0.6
60.59644	0.6
60.95829	0.9
67.05499	1.0
70.00274	0.8
70.00686	1.9
79.05495	1.0
81.07065	1.0
84.42896	0.5
85.02853	0.6
91.05459	0.6
93.07050	1.1
95.08606	0.9
102.96867	1.8
134.99477	0.9
153.00497	1.9
158.03264	1.8
158.53435	0.9
171.95407	0.6
181.00099	0.6
237.11031	4.5
270.78427	0.5
275.16202	15.1
278.64169	0.5
279.13705	0.7
279.63678	2.8
345.31873	0.5
360.66251	7.5
361.19879	100.0
362.20142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	2.3
65.03947	1.0
67.05521	1.1
69.27625	2.2
69.28039	6.8
70.06584	1.3
81.03423	1.1
86.09721	2.7
91.05489	13.3
93.07034	1.8
97.06526	1.1
98.20781	1.9
119.04954	27.3
120.08074	1.0
121.06542	1.3
123.08094	1.4
132.06564	1.9
147.04424	87.9
148.04759	2.0
167.07059	7.6
169.02615	40.8
179.03181	1.6
187.03687	3.9
197.04211	7.5
199.09706	1.6
215.05284	41.8
230.46393	0.9
297.01929	0.8
325.22079	2.6
343.07861	9.5
343.23096	5.6
361.08951	100.0
361.18454	3.3
361.24152	12.0
362.09296	1.3
362.20819	1.0
383.78223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.9
55.05523	27.3
57.03452	6.1
57.12376	4.0
67.05508	82.1
69.03427	5.1
69.07073	22.0
69.98979	17.5
79.05522	23.6
81.07047	32.7
83.08630	14.0
85.06550	5.5
89.89011	3.8
91.05503	17.0
93.07058	16.9
95.08618	27.3
97.10197	32.6
98.21423	5.0
105.07014	21.2
107.08607	52.3
109.10162	100.0
111.08080	7.7
117.07067	6.1
119.08601	13.0
121.10163	6.9
125.09647	31.3
131.08618	7.7
133.10132	12.6
135.11691	4.2
145.10193	6.6
147.11736	8.8
153.09140	9.1
155.10660	57.9
159.11685	4.6
166.64140	4.3
173.11757	83.2
187.13304	96.9
195.13890	5.3
195.49443	4.5
203.12784	37.6
229.19366	4.9
239.18102	5.3
257.19046	7.7
275.20096	38.5
289.21771	10.3
307.22699	19.0
382.07794	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14105	3.6
55.01890	5.3
55.05513	39.9
57.03423	5.4
59.05008	5.2
65.36469	3.8
67.05513	66.8
69.07073	50.0
69.99590	18.5
71.04999	100.0
79.05498	57.6
81.03394	3.6
81.07059	62.7
83.05000	4.5
83.08619	22.8
85.06525	4.1
91.05489	31.7
93.07047	57.3
95.04974	10.0
95.08615	35.0
97.06548	14.4
97.10165	27.0
99.08096	4.4
105.07030	35.1
107.04965	5.0
107.08599	54.0
109.06541	5.3
109.10169	27.2
111.08106	7.6
117.07020	10.7
119.08606	28.4
121.06495	7.5
121.10154	39.1
123.08066	5.0
123.11753	4.7
125.09635	29.4
131.08565	13.0
133.10158	25.5
135.08081	8.1
135.11688	14.7
145.10139	12.9
147.11708	11.4
147.20088	3.7
149.09656	12.7
149.13287	6.6
153.12776	13.9
155.10692	10.8
159.11705	25.1
161.13222	8.0
163.11121	7.3
167.14336	4.6
173.11775	29.2
173.13092	6.2
177.12755	14.7
189.11238	23.8
195.13823	22.3
209.15387	7.5
212.16570	4.2
213.14854	5.1
213.76756	3.7
227.16441	84.5
235.16849	6.7
239.18010	5.5
257.19006	11.4
275.20090	82.8
286.10873	4.7
295.81839	4.2
307.22760	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Broussonetine N
Peak:m/z	Relative Intensity
55.01859	2.8
55.05515	1.6
56.05025	2.1
57.03427	2.5
57.06828	1.0
57.07080	14.1
58.56942	0.9
60.04529	47.6
67.05502	6.2
67.69864	0.8
68.05018	2.1
69.03426	1.5
69.07050	1.4
69.60355	5.0
70.02919	0.9
70.06586	0.8
71.04984	3.5
72.04504	3.5
73.02921	1.1
79.05499	4.7
80.05011	5.0
81.07032	5.6
82.06564	1.0
83.04990	1.5
83.08603	0.9
84.04523	1.7
85.02888	3.2
85.06547	17.0
86.06075	1.5
86.09707	1.2
89.18005	0.8
90.05560	8.0
91.05481	4.3
93.05762	2.3
93.07038	5.7
94.06564	3.5
95.04957	2.8
95.08619	8.0
96.04482	2.1
96.08126	1.4
97.06528	3.1
98.06062	1.8
99.04489	0.9
102.05607	0.8
105.07057	4.0
106.06564	13.3
107.04945	1.3
107.08609	1.4
108.08129	2.4
109.06519	1.8
109.10178	2.2
110.06035	1.5
111.08067	1.5
113.09648	6.3
113.78166	0.7
114.05524	1.2
117.05763	1.3
117.07058	2.1
118.06539	3.0
119.04971	0.9
119.08588	3.1
120.08097	3.4
121.06509	0.7
121.10171	0.8
122.06059	1.8
122.09644	1.2
123.08115	1.9
124.07588	2.4
127.11201	13.6
130.05002	0.8
130.06551	1.0
131.08568	2.7
132.06575	15.0
132.08080	6.2
133.10139	1.6
134.09662	1.3
135.07034	0.8
135.07988	1.8
136.07581	9.9
137.06053	1.0
137.09595	2.4
141.09116	6.6
142.08607	1.0
146.09651	1.9
147.08064	2.5
148.07664	1.2
148.11258	1.5
149.09555	0.8
150.09166	3.4
154.08627	2.8
155.10651	3.5
158.09642	2.6
160.07475	1.0
160.11105	1.2
162.09129	1.5
164.10724	2.4
165.12776	0.8
168.10204	1.3
170.09660	2.6
174.12756	1.1
176.10698	4.7
180.80916	0.8
186.12794	0.9
188.10680	2.9
191.14331	2.6
194.11729	1.0
205.15921	1.9
206.11841	2.5
209.15363	1.3
224.12793	1.2
247.17059	0.9
258.18521	3.9
260.20099	1.4
270.18536	3.3
276.19586	22.1
282.20709	1.4
288.19608	10.4
294.20865	1.9
306.20609	12.6
324.21698	14.9
342.22763	100.0
343.22977	2.4
360.23819	96.5
361.24042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42406	4.6
53.03950	9.6
55.01873	14.3
55.05515	75.8
56.96535	4.3
57.03431	9.1
59.05003	60.7
60.37132	3.8
65.03899	6.8
67.05507	98.4
69.03417	15.7
69.07070	100.0
70.61350	10.2
71.04997	74.2
73.02900	13.1
73.06549	4.6
79.05070	6.5
79.05502	80.9
81.03423	30.1
81.07060	65.6
83.04977	13.8
83.08626	36.2
84.62906	3.8
85.02900	5.3
85.06559	11.1
91.05488	48.9
92.75861	3.9
93.07049	67.4
95.04975	24.6
95.08613	40.1
97.06532	51.9
97.10172	59.3
98.20714	3.8
103.29848	3.4
105.07037	34.1
107.04959	10.8
107.08601	66.6
109.06554	20.1
109.10155	47.2
111.08101	11.2
113.05990	3.5
115.07601	35.3
117.07017	16.3
119.08591	22.9
121.06534	8.8
121.10139	51.3
123.08070	8.1
123.11735	6.0
125.09640	50.7
127.03973	5.1
129.07028	8.2
131.08563	13.6
133.06482	4.6
133.10162	18.7
135.07996	9.3
135.11751	7.0
137.05952	8.6
137.09599	11.8
143.08566	6.3
145.10141	14.7
147.04373	3.6
147.11610	9.3
149.09657	7.6
153.09120	4.2
153.12727	32.6
155.10637	16.3
157.10210	5.0
159.11661	8.6
161.09607	7.3
161.13307	6.5
163.11150	4.4
173.11781	52.7
177.12769	4.6
189.11244	36.3
205.12404	4.2
221.15445	4.9
222.46974	4.5
223.13277	17.0
237.14940	8.2
273.18445	11.2
275.20065	43.6
278.62863	4.1
286.34167	4.7
291.19534	6.2
325.19974	7.2
360.23883	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	360.238
Annotation	Broussonetine N
Peak:m/z	Relative Intensity
53.03953	0.6
53.89086	0.4
55.01881	3.2
55.05513	4.2
55.33159	0.4
56.05016	1.0
57.03441	0.8
60.04528	20.6
67.05504	3.4
68.05016	2.0
69.03409	1.2
69.75308	1.6
70.06577	0.9
71.04987	2.5
72.04494	1.3
79.05504	3.8
80.05012	2.3
81.03400	0.5
81.07066	4.1
82.06576	1.2
83.04977	1.9
84.04486	0.9
85.02888	1.1
85.06538	1.3
86.06059	0.6
91.05482	3.3
93.05783	0.6
93.07046	3.3
94.06572	3.2
95.04945	1.2
95.08606	2.5
96.04482	1.7
96.93192	0.4
97.06530	1.2
98.06050	1.6
100.07640	0.6
101.06030	1.0
105.07028	2.0
106.06560	1.6
107.04929	0.5
107.08588	2.0
108.08091	0.6
109.06547	0.8
109.10156	1.0
110.06031	2.6
111.08087	10.3
114.05497	1.1
117.07001	1.6
118.06550	0.6
119.08603	2.5
120.08125	1.5
121.10136	1.6
122.06021	1.6
122.09660	0.6
122.83235	0.4
123.08060	0.7
124.07566	1.0
127.31335	0.4
130.06599	0.6
131.08621	2.3
132.06573	11.0
132.55670	0.4
133.10068	1.1
134.09665	0.7
135.08009	0.6
136.07562	1.4
137.09631	0.6
138.09167	0.5
140.07072	1.4
142.08659	0.9
145.10135	1.2
147.08054	0.5
147.11697	1.1
148.07571	0.7
148.11197	0.8
149.09613	0.5
150.09143	1.2
151.11205	0.6
154.08673	0.7
155.10628	0.5
158.08118	2.0
160.11226	0.8
169.10139	0.5
172.09746	0.5
172.11192	1.2
178.12473	0.5
190.12283	0.8
191.14304	0.9
202.10684	0.5
208.13457	0.8
209.15274	0.6
233.15411	0.5
258.18491	2.2
260.16492	0.6
260.20090	0.5
270.18549	1.7
276.19684	2.8
278.17798	0.5
278.21054	0.7
282.20584	0.5
288.19577	4.9
294.20773	0.5
306.20660	6.4
312.06909	0.5
324.21725	7.4
342.22757	36.8
360.23816	100.0
361.24146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46185	0.2
55.05503	0.2
57.07082	5.8
58.06586	0.5
62.06074	0.3
67.74202	0.2
68.05014	0.2
69.07050	0.2
70.06596	10.7
71.08204	0.3
71.08633	2.8
85.10185	1.1
86.06114	0.2
88.07635	13.9
89.77233	0.2
89.91656	0.2
102.09174	3.4
106.08672	7.7
122.24720	0.2
137.05991	0.2
165.09079	0.3
193.12260	1.9
291.19421	0.9
312.32751	0.2
314.34241	0.8
340.35782	6.2
358.36795	100.0
359.37161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Broussonetine N
Peak:m/z	Relative Intensity
53.03927	0.8
55.01861	1.6
55.05505	2.8
56.05026	2.2
57.03426	1.8
60.04529	26.8
61.37423	0.7
63.46158	0.7
64.98758	0.7
65.03931	0.8
67.05513	5.6
68.05011	3.2
69.03426	3.8
69.07053	1.2
69.32687	5.1
69.33088	1.1
70.06577	3.0
71.04995	10.9
72.04498	2.5
72.08160	7.9
78.38419	0.6
79.05495	8.6
80.05014	8.3
81.03405	2.1
81.07060	5.2
82.06578	3.1
83.04987	1.7
84.04494	3.1
84.08135	0.7
85.02899	1.4
85.06535	1.2
86.06065	2.0
86.09717	5.5
87.04467	1.0
91.05486	5.5
93.07038	5.9
94.06577	9.3
95.04955	2.3
95.08629	3.4
96.04486	2.1
96.08128	1.4
97.02913	1.0
97.06535	4.2
98.06057	3.8
102.05530	2.1
103.18877	0.7
103.19536	1.0
105.07021	4.8
105.42648	0.7
106.06551	1.3
107.08562	2.9
108.08107	1.2
109.10130	1.1
110.06038	3.0
111.08068	2.2
112.07589	1.1
114.05527	2.0
116.07085	1.8
117.07016	1.2
119.08598	2.8
120.08098	2.6
121.06497	0.8
121.10123	1.7
122.09624	0.9
123.08051	1.2
124.07555	1.3
128.07086	1.3
129.06979	0.9
131.08568	3.1
132.06555	10.2
132.08110	0.9
132.10187	4.1
133.10139	3.2
134.09627	2.5
135.08070	1.0
135.11739	0.9
136.07579	0.8
136.11229	0.9
137.09612	1.0
138.09132	2.0
140.06976	0.7
143.08562	1.1
145.10098	1.2
152.10800	0.8
156.10175	1.0
158.08224	1.0
162.09184	0.8
171.11717	0.9
172.09697	1.1
174.12787	1.0
183.11308	2.9
185.13159	0.7
201.12346	3.5
211.10771	1.4
215.14021	0.8
229.11798	1.0
232.17014	1.5
238.18117	0.8
240.47673	0.8
250.18033	2.0
258.18512	1.0
268.19165	2.8
270.18497	1.0
286.20151	1.4
288.19623	2.8
300.21860	1.3
306.20676	3.7
324.21753	12.9
339.43195	0.7
342.22760	84.8
343.23108	1.2
360.23810	100.0
361.24149	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06334	4.5
53.03948	8.5
55.01871	6.7
55.05509	31.6
56.96570	10.4
57.03427	9.2
59.04978	8.6
60.03687	4.9
61.02936	7.6
66.92440	4.9
67.05501	71.6
69.03396	6.4
69.07064	21.9
69.91656	15.6
71.04965	8.1
79.05491	67.9
80.30328	4.6
81.03424	19.4
81.07054	89.9
83.04987	14.6
83.08588	9.4
85.02925	7.4
85.06550	13.9
91.05468	51.5
93.07045	72.2
95.04967	35.1
95.08602	50.6
97.06554	16.5
97.10172	9.6
98.20857	7.3
98.97591	11.3
99.08102	11.9
105.07030	48.3
107.04953	20.6
107.08600	46.6
109.06522	22.6
109.10173	23.7
111.08062	13.9
117.07027	22.7
119.08578	44.7
120.99709	6.0
121.06521	7.2
121.10144	49.2
123.08051	12.0
123.11669	5.4
125.09666	8.7
127.07539	7.1
129.06987	10.5
131.08551	31.3
133.10146	31.9
135.08034	17.1
135.11679	36.9
137.06000	8.2
137.09615	12.4
139.07401	5.3
143.01859	7.3
143.08542	15.6
144.02097	7.5
145.10130	49.7
146.51947	4.8
147.08087	13.9
147.11707	17.6
149.01202	5.9
149.09656	17.5
149.13269	10.5
155.01846	5.1
155.08516	8.0
157.10164	20.4
159.11702	26.4
161.09645	10.4
161.13246	5.7
163.11163	81.3
165.09161	16.8
168.76331	5.7
169.10175	7.6
171.11638	26.2
173.09668	15.5
175.11185	14.4
175.14851	5.0
177.00581	6.1
181.12427	6.8
181.24084	6.5
185.13202	5.1
189.12701	8.9
191.10637	9.4
195.11816	5.8
195.13611	6.8
195.61473	9.5
201.89178	5.3
207.13762	6.4
211.14871	8.8
213.14703	9.4
213.16481	11.2
227.12646	5.6
227.18001	7.8
237.16423	23.6
241.14264	6.4
245.19026	10.7
251.63258	5.3
255.17477	51.0
263.20010	7.8
273.18509	100.0
276.13550	5.0
276.63953	15.8
277.13895	22.1
277.21719	5.8
287.20047	69.0
291.19547	79.6
293.05600	6.1
305.21088	36.5
309.20731	10.2
323.22150	38.5
335.19101	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99754	1.6
53.03949	2.7
53.68270	1.4
55.01855	5.0
55.05518	10.3
57.03434	8.5
67.05512	26.5
69.03419	2.1
69.06729	1.9
69.07076	28.6
70.65434	1.7
70.65751	2.8
71.04993	12.3
73.02913	3.0
77.08724	1.5
79.05131	1.9
79.05502	22.2
81.03426	10.9
81.07059	21.7
83.04987	5.3
83.08634	2.2
85.06538	1.9
91.05488	15.0
93.07044	20.7
95.04966	16.9
95.08624	8.4
97.06536	100.0
97.10097	1.8
99.08096	6.0
103.05404	1.9
104.52987	1.6
105.07040	12.6
107.04949	4.7
107.08583	10.4
109.06522	6.9
109.10184	7.3
111.08060	3.7
113.06033	1.6
114.14138	1.8
115.07571	16.5
117.07034	8.1
119.08571	10.4
121.06506	4.8
121.10154	5.8
123.08067	3.2
129.07021	4.3
131.08578	11.1
133.06531	2.0
133.10150	10.5
135.08076	3.0
135.11688	8.7
143.08578	3.2
145.10117	6.0
149.09589	4.9
149.13243	5.1
151.11139	5.7
156.90384	1.6
157.10104	4.6
159.11662	6.1
161.09564	1.9
161.13358	1.6
163.11189	3.4
169.10100	1.7
171.11703	3.1
173.13252	2.8
175.11205	1.6
177.12796	5.0
187.11180	2.5
195.11966	1.6
195.13789	3.6
199.14867	2.0
203.14331	1.6
205.12175	1.8
217.15825	1.9
219.13782	1.9
221.15288	2.1
247.16885	2.1
264.29013	1.7
273.18430	7.0
291.19501	3.6
305.21094	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.7
55.05503	17.1
57.03423	15.4
61.21654	3.9
67.05506	44.6
69.06728	6.6
69.07072	88.5
70.06036	17.4
71.05000	38.3
73.02908	8.7
79.05503	55.3
81.03423	30.3
81.07060	66.9
83.04954	9.4
83.08614	8.2
85.06505	4.3
91.05491	37.0
93.07047	44.5
95.04990	38.3
95.08623	35.9
96.44540	3.5
97.06538	100.0
97.10132	4.4
99.08085	10.5
105.07040	32.4
107.04932	8.2
107.08612	23.0
109.06514	30.9
109.10163	11.2
111.08079	7.4
113.06025	6.7
115.05441	4.8
115.07569	70.6
117.07008	17.1
119.08589	22.3
121.06467	5.4
121.10139	18.7
123.08065	8.4
125.09628	4.8
129.07004	9.0
131.08577	25.6
133.06503	6.4
133.10133	19.1
135.08064	12.0
135.11665	14.9
139.11092	4.8
143.08409	5.3
145.10149	21.1
147.08080	6.4
147.11710	10.9
149.09610	7.0
149.13245	13.9
157.10091	7.2
159.11697	24.8
161.09581	5.4
161.13348	5.0
163.11166	5.1
169.10226	4.6
171.11668	9.3
173.13286	4.9
175.11133	5.3
177.12767	13.2
185.13187	4.0
193.12306	7.9
195.13794	5.7
213.12724	4.2
217.15927	4.0
221.15408	5.3
233.15375	6.4
247.65639	3.7
255.17635	5.4
265.26282	4.2
273.18454	13.0
275.94501	4.6
291.19577	6.2
305.21042	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	358.2226
Annotation	Broussonetine R
Peak:m/z	Relative Intensity
53.03933	1.5
54.37314	0.6
55.01878	5.8
55.05513	3.5
56.05040	3.5
57.03434	1.1
58.06604	0.9
60.04528	55.8
65.03934	1.2
67.05507	17.7
68.05024	2.6
69.03430	5.4
69.07054	2.1
69.36078	3.5
69.36486	1.1
70.02949	1.4
70.06593	2.1
71.04995	11.7
72.04519	5.6
73.02920	1.2
74.06069	0.9
79.05495	14.9
80.05017	6.4
81.03427	3.2
81.07059	11.9
82.06583	2.2
83.04977	2.7
84.04505	3.8
84.08148	0.9
85.02908	1.6
86.06058	1.1
86.09689	0.9
87.04472	14.1
90.05557	7.9
91.05482	9.4
92.04983	1.7
93.05794	1.0
93.07049	7.6
94.02941	0.7
94.06569	5.3
95.04970	5.7
95.08603	4.6
96.04488	6.0
96.08141	1.9
97.06536	10.4
98.06068	2.2
99.04456	0.8
102.05548	1.5
103.05486	0.6
105.07051	6.0
106.06556	16.3
107.04964	3.0
107.08591	6.3
108.04515	0.8
108.08120	5.3
109.05272	0.8
109.06530	2.9
109.10165	5.4
110.06047	4.5
111.04449	1.4
111.08079	8.3
112.07613	1.2
114.05536	2.0
115.05435	1.2
116.07112	2.9
117.05780	1.1
117.07027	3.4
118.06546	5.1
119.08587	4.0
120.08115	14.3
121.06488	1.5
121.10126	3.3
122.06036	7.8
122.09673	2.2
123.08086	2.7
124.07621	4.5
125.09647	0.8
126.09165	1.5
128.07118	0.8
129.07010	2.3
130.05013	3.0
130.06589	0.8
131.08594	4.4
132.06569	19.1
132.08040	4.9
133.06583	1.4
133.10114	3.0
134.06023	1.1
134.09636	2.6
135.08055	2.3
135.11710	1.9
136.07588	19.7
137.05948	2.2
137.09612	2.1
138.06297	0.7
138.09140	2.9
142.08646	1.1
143.08568	1.7
144.06557	1.3
144.08131	1.0
145.10158	2.3
146.08188	0.8
147.08139	0.6
147.11679	2.3
148.07622	5.0
149.05945	0.5
149.09595	1.0
150.09157	8.2
152.07077	1.5
152.10721	0.7
153.09097	2.2
154.08646	7.6
155.10649	0.6
157.10167	1.9
158.08183	1.1
158.09587	0.8
158.79271	0.6
159.11696	2.2
160.07576	2.5
161.13254	1.8
162.09183	1.5
163.11154	5.4
164.10739	1.2
166.08643	6.2
168.10164	0.8
170.09662	0.6
171.11731	1.7
172.09850	3.4
172.11127	0.9
173.13268	1.6
174.12711	0.8
175.11183	1.3
176.10712	1.6
177.12799	2.0
178.08684	5.6
179.14293	1.6
180.10165	1.3
181.12294	0.9
184.11191	1.1
185.13332	0.7
186.12852	0.7
187.11212	0.7
188.09148	0.9
188.10675	0.8
188.14333	0.8
189.12759	2.4
190.12268	0.8
191.14311	1.3
196.09717	3.8
198.11212	0.6
198.12856	0.7
199.14900	0.7
200.14296	0.7
201.12785	1.0
202.12370	1.4
203.14281	2.1
204.13837	1.3
206.15381	0.7
207.13762	0.9
214.10724	1.4
218.15366	0.9
220.13329	0.9
220.16972	0.8
229.12286	1.3
234.14880	1.4
236.16426	0.8
242.14095	0.6
245.15416	1.0
246.18373	0.7
251.30603	0.7
252.15831	0.7
254.17528	1.3
256.16965	3.8
258.18555	1.4
262.18021	2.3
263.16428	0.8
268.16913	2.9
270.17029	6.4
274.18021	9.0
275.05609	0.6
276.19403	0.9
280.19177	1.0
286.18033	12.0
287.16461	0.9
292.19107	2.0
294.16962	0.8
304.19070	20.1
322.20120	46.0
323.20248	0.9
332.36841	0.6
340.21191	100.0
341.17310	0.6
341.21533	1.4
358.22241	95.3
359.22574	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2225
Annotation	Ipanguline D10
Peak:m/z	Relative Intensity
52.41217	0.3
55.01862	0.9
56.05024	0.5
57.03434	0.5
60.04519	2.6
63.64676	0.3
66.76715	0.3
67.05509	1.7
68.05022	1.0
69.03430	2.2
69.07061	0.3
69.56133	0.3
69.69909	0.9
69.70300	0.6
70.06590	0.7
71.04994	1.5
72.04502	0.5
79.05499	2.5
80.05029	1.2
81.07054	1.4
82.06594	0.9
83.04984	0.3
84.04517	0.8
85.02919	0.4
86.06093	0.5
87.04471	1.5
90.05551	0.4
91.05486	2.2
93.07041	1.8
94.06579	0.4
95.04977	0.9
95.08588	0.8
96.04495	0.9
96.08112	0.5
97.06535	3.0
98.06071	0.7
101.13294	0.3
102.05531	0.3
103.66228	0.3
105.07059	0.8
106.06569	0.6
107.08595	0.7
107.99061	0.3
109.06504	0.3
110.06039	0.7
111.08084	2.6
117.07022	0.9
118.06550	0.6
119.08586	1.1
120.08118	0.8
121.06506	0.4
121.10162	0.4
122.06018	0.5
122.09681	0.5
123.08030	0.5
129.07002	0.3
129.09103	0.3
131.08536	0.7
132.06580	1.3
132.08096	0.7
133.10181	0.6
134.09692	0.6
135.11662	0.4
136.07581	0.9
136.11272	0.4
137.09618	0.5
146.09714	0.3
147.04416	0.4
147.11661	0.6
148.07629	0.4
150.09152	0.7
158.08125	0.5
161.13309	0.3
163.11203	0.6
164.10716	0.4
171.09097	0.3
180.10222	0.4
188.14400	0.5
196.09782	0.4
236.16479	0.6
254.17595	0.4
254.31628	0.3
262.18134	0.4
274.18167	0.5
286.17914	0.8
304.18994	0.9
317.31396	0.4
322.20016	1.4
327.58746	0.3
340.21191	6.4
358.22244	100.0
359.22656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57116	1.3
55.05270	2.0
55.05511	29.3
56.05812	1.6
57.03420	4.8
57.07077	11.7
60.77400	1.3
67.05168	2.3
67.05502	23.5
69.07069	37.0
70.06606	6.5
70.07404	1.6
71.01430	1.7
71.01761	1.7
71.04961	3.0
71.06913	1.7
71.08633	9.7
75.04456	2.6
79.05495	14.5
81.07055	31.9
83.04958	2.3
83.08612	24.8
85.06525	1.8
85.10166	3.3
88.07634	9.3
89.07960	2.8
91.05470	4.6
93.07050	20.5
95.08606	31.9
95.54269	1.4
97.06531	7.1
97.10181	13.9
99.08065	2.1
102.09183	1.8
105.07018	3.0
106.08669	7.3
107.08566	15.1
108.73048	1.4
109.10169	15.5
111.08063	5.3
111.11704	4.5
121.09327	1.9
121.10149	28.5
123.11749	7.0
125.13228	1.5
135.11696	21.5
137.13269	3.0
139.11139	2.4
149.13210	9.0
151.14816	2.8
153.12750	1.4
163.14816	5.4
163.16141	1.1
165.16373	3.7
177.16403	2.2
191.17909	1.7
247.24219	28.3
265.25284	31.8
283.26166	1.5
339.28922	26.5
339.34531	4.6
357.26379	2.1
357.35538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2224
Annotation	Broussonetine R
Peak:m/z	Relative Intensity
53.03937	1.0
53.15724	0.6
55.01881	4.7
55.05505	2.8
56.05029	2.8
56.96566	1.3
57.03419	1.3
57.95610	0.6
60.04531	44.2
64.12558	0.6
65.03959	1.6
67.05508	13.4
68.05032	3.6
69.03440	3.9
69.07063	2.0
70.02956	1.6
70.06584	1.3
71.05004	8.4
71.38300	1.0
71.38634	0.7
72.04519	4.5
73.02925	1.5
75.35619	0.6
79.05499	11.4
80.05021	4.1
81.03431	2.1
81.07070	7.0
82.06554	1.4
83.04979	2.5
84.04504	1.7
85.02897	0.8
86.09675	0.7
87.04478	8.3
90.05573	7.0
91.05494	10.4
92.04994	1.8
93.05787	0.9
93.07040	6.7
94.06574	5.7
95.04980	3.4
95.08606	2.7
96.04492	5.4
96.08136	1.5
97.06540	7.9
98.06057	2.5
103.05455	1.5
105.07022	4.0
106.06567	11.6
106.13094	0.7
107.04966	1.9
107.07327	0.7
107.08604	4.7
108.04531	0.6
108.08141	3.2
108.08797	0.6
109.06522	2.1
109.10165	4.4
110.06055	2.9
111.04507	0.9
111.08087	8.3
112.07573	1.2
114.05517	1.9
116.07066	1.1
117.07017	2.2
118.06548	4.3
119.04959	5.4
119.08581	3.2
120.08097	11.0
121.06494	1.1
121.10155	1.8
121.13598	0.6
122.06051	6.6
122.09666	2.4
123.08089	2.5
124.07594	4.8
124.99162	1.2
125.09605	1.1
126.09177	1.1
129.07030	1.5
130.05002	1.9
130.07794	0.7
131.08563	3.2
132.06580	13.9
132.08089	3.9
133.06490	1.1
133.10104	3.0
134.06062	1.3
134.09685	2.5
135.08112	1.7
135.11708	1.4
136.06534	0.8
136.07590	16.6
137.09599	1.8
138.09169	1.8
143.00198	0.9
143.08621	1.6
144.06537	1.1
145.10132	2.6
147.04416	15.5
147.08038	0.8
147.11707	1.4
148.04823	1.7
148.07573	4.6
150.09180	6.2
152.10658	1.3
153.09122	1.6
154.08658	4.4
158.08179	0.8
159.11716	1.9
160.07588	1.1
161.13277	1.5
162.09160	0.9
163.11194	5.4
164.10776	1.0
166.08694	4.7
168.10236	1.3
171.11717	2.1
172.09703	32.6
173.09689	0.7
173.13300	1.8
174.12788	0.8
175.11252	0.8
176.10730	1.3
177.12791	1.7
178.08627	4.2
179.14307	1.5
180.10228	1.4
180.83437	0.7
182.09956	0.8
184.09714	0.8
184.11263	0.8
186.12842	0.9
188.09175	1.0
188.10733	0.8
188.14334	0.8
189.12709	1.6
191.14337	1.1
196.09723	3.5
200.14525	0.8
201.12799	0.8
202.12326	0.7
203.14330	1.0
206.11800	1.3
207.13844	1.2
214.10748	1.0
215.14371	0.8
221.01263	1.4
224.12737	4.3
224.29175	0.7
229.12244	1.8
231.13731	0.9
234.14899	1.5
238.66989	0.6
239.02238	1.8
242.13895	9.6
245.15543	0.8
252.15936	1.2
254.17439	0.7
256.16968	1.4
258.18610	1.6
262.18027	2.2
268.16998	1.5
270.16937	5.0
274.18042	7.1
286.18045	10.2
292.19070	1.3
294.17114	0.9
304.19073	15.4
322.20151	35.9
340.21213	81.8
341.21542	1.3
357.00922	0.7
358.22269	100.0
359.22815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01883	1.1
55.05519	0.6
56.05026	1.2
56.96575	2.5
57.03433	1.3
60.04536	7.4
61.02925	0.7
61.60085	0.5
65.03950	0.6
66.40082	0.4
67.05511	3.1
68.05035	0.8
69.03436	3.8
69.07059	0.6
70.03772	0.5
70.05803	1.3
70.06262	0.9
70.06604	10.0
70.98129	1.0
71.04997	0.8
72.04507	0.9
72.08131	1.8
73.02908	1.0
79.05501	2.3
80.05009	1.0
81.03405	1.0
81.07041	1.9
82.06587	0.7
83.04991	0.6
84.04494	1.3
84.08150	5.1
85.02914	7.1
85.06516	0.6
86.03195	0.5
86.06060	1.3
86.09707	1.5
87.04472	0.6
90.05533	0.8
91.05483	2.5
92.04967	0.4
93.07032	1.5
94.06564	2.1
95.04976	0.9
95.08597	0.6
96.04494	1.0
96.07657	0.5
96.08151	6.3
97.02909	4.1
97.06547	1.1
98.03230	0.7
98.97566	4.0
99.04463	1.0
105.07047	1.4
106.06564	4.1
107.04961	1.3
107.08622	0.8
108.08138	3.5
109.08888	1.0
109.10177	1.0
110.06036	1.0
110.07159	2.0
110.09687	3.4
110.97582	1.2
114.05540	0.5
115.63750	0.5
116.07072	0.7
116.98605	1.3
117.07013	1.1
118.06545	1.6
119.01913	1.3
119.04886	1.2
119.08557	1.3
120.08126	2.9
121.01698	0.8
121.08933	0.5
122.06036	0.8
122.09648	1.7
123.08080	0.5
124.07595	1.5
124.11246	0.9
127.02424	0.5
127.03951	2.9
128.04308	0.5
129.07014	0.5
129.10239	1.7
130.02786	0.6
130.08694	0.6
130.93288	0.6
131.01875	0.8
131.08560	1.0
132.06577	3.6
133.03500	0.6
133.08905	0.5
134.06029	0.6
134.09657	5.0
134.99693	0.8
135.03224	0.5
136.06143	0.7
136.06400	0.7
136.07597	10.0
136.11197	3.7
138.09169	0.5
139.00826	0.6
143.01924	0.8
143.08580	0.5
145.01709	0.8
145.03474	0.7
145.04941	1.6
145.10191	0.6
146.99620	0.6
147.04408	3.6
148.11179	1.0
149.05988	0.8
149.12057	0.8
150.09193	0.7
150.12836	3.2
152.05713	0.6
152.10721	2.1
153.00569	1.0
154.08673	0.7
155.01897	0.8
158.03496	0.6
160.11224	4.1
161.02982	1.0
162.12810	9.0
163.02757	0.6
171.01433	0.9
171.11708	0.6
172.09734	1.4
172.11179	1.1
172.94351	1.0
173.03014	1.1
174.12804	2.4
174.97708	1.1
175.08652	0.5
176.00832	0.7
176.14383	1.2
177.00861	1.1
180.13870	4.8
185.02884	0.7
186.12755	0.9
188.14354	4.7
188.99187	1.2
189.04308	0.5
190.15921	3.4
190.95407	0.7
191.03906	0.6
192.98714	0.6
198.12796	0.8
200.14398	2.7
201.00804	0.8
202.12318	0.8
202.15909	2.6
206.15440	2.9
207.00247	1.2
208.17058	2.3
212.14519	0.6
213.06139	2.3
216.98694	2.2
219.01903	0.9
220.02190	0.6
220.16968	1.0
221.05011	0.9
226.15860	0.7
228.13907	0.9
229.15540	0.6
232.17017	1.1
232.96420	1.9
232.98401	0.7
234.99776	1.0
244.17026	1.7
247.04959	1.0
250.07011	0.6
250.18065	2.0
250.97601	0.8
255.18628	1.3
257.08704	1.4
257.57666	1.1
258.07550	1.2
262.18005	3.7
267.18427	0.6
269.03513	1.2
269.08630	0.5
272.97559	0.7
273.19666	4.6
274.97415	0.7
279.20786	1.2
280.19135	1.7
285.19714	2.1
286.17981	1.0
291.20694	1.6
296.98456	0.9
297.04739	0.8
301.01584	0.6
303.20621	2.4
314.98965	2.0
318.74222	0.5
321.21744	9.0
333.01022	1.0
333.05176	0.6
339.22815	100.0
340.20917	0.8
357.00549	0.8
357.09183	0.8
357.24686	5.1
358.22318	1.7
370.10587	0.8
371.10083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07800	0.3
55.05517	0.4
60.55318	0.3
62.53519	0.3
63.46410	0.3
67.05496	0.4
69.79568	0.7
69.79978	1.2
71.04988	0.4
79.05489	0.6
81.07047	0.9
83.04967	0.3
84.04507	0.5
93.07034	0.4
95.04903	0.4
95.08627	0.5
98.97588	0.6
101.55966	0.4
105.07001	0.4
109.10125	0.5
109.54404	0.3
116.99630	0.3
119.08630	0.6
121.10098	0.5
129.06610	0.5
130.04979	0.8
137.05977	0.6
147.04408	0.4
147.11667	0.3
193.12280	0.4
210.14886	0.5
307.09912	0.5
339.18185	0.3
339.23004	0.4
357.18851	100.0
358.19379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01878	16.6
55.05506	2.2
56.17409	1.5
56.96577	2.7
57.03429	1.5
58.91385	1.9
61.02944	1.6
65.03938	3.5
67.05492	5.0
69.03436	2.7
69.07072	3.1
70.06590	4.4
70.46182	1.8
70.46529	5.7
70.63583	1.5
79.05500	5.8
81.03408	2.0
81.07056	8.3
84.08136	5.2
85.02848	1.9
86.09712	3.3
91.05460	7.6
93.03407	3.6
93.07068	2.7
94.04182	4.3
95.04978	2.8
95.08601	3.3
95.97707	1.6
97.06519	2.1
103.05482	4.6
105.07026	3.7
107.04945	3.0
107.08612	3.7
109.06490	4.4
111.04433	4.6
115.05466	6.7
117.03356	3.7
119.04990	2.2
121.06498	2.4
122.03679	12.0
125.06010	5.2
129.06908	1.9
131.04924	5.7
133.06444	1.8
136.07635	1.6
137.05983	100.0
137.09615	2.3
143.04922	5.3
144.05721	2.4
145.02858	2.3
145.31255	1.6
146.03650	4.5
147.04422	6.8
149.06017	4.1
150.03111	3.1
151.03911	5.1
151.07590	2.0
153.05435	4.3
155.04922	3.2
160.05186	3.4
161.05988	17.2
162.06740	4.0
163.07526	3.2
165.05498	23.4
165.06902	3.0
171.04437	4.0
172.05179	2.1
175.07565	7.1
177.05458	11.3
178.07780	4.2
179.08534	1.7
181.06508	2.8
183.04347	2.4
185.06041	1.7
187.07552	5.3
189.05608	1.6
189.06966	8.2
190.07767	10.5
191.07021	2.9
191.08519	11.5
193.78883	1.9
194.07283	2.0
203.07033	12.1
203.08649	2.3
205.06409	2.7
206.07298	3.9
207.08000	8.8
208.08853	3.5
215.06944	10.0
215.08855	1.6
217.06401	4.0
218.07294	15.3
219.08043	22.0
220.08786	3.7
221.06004	3.4
223.07491	2.3
224.08438	1.9
225.09036	1.7
229.06555	6.6
230.07246	2.6
231.08104	2.6
233.09613	3.9
234.06862	8.3
235.07556	13.7
236.08310	6.1
237.09149	2.9
245.05989	5.6
246.06750	15.8
247.07536	27.9
248.08337	6.4
249.05367	2.3
249.09111	9.8
250.09981	1.8
251.07109	5.7
251.10587	3.5
257.06021	7.3
257.10703	1.7
258.06805	2.3
259.07382	2.6
261.09131	21.1
262.06348	6.6
263.07114	12.7
264.07852	11.8
265.08618	7.2
267.10080	4.4
269.07898	2.1
274.06223	13.7
275.06989	13.9
276.07819	2.3
277.08588	23.4
278.09351	7.4
279.10162	13.2
289.08609	35.2
290.09393	6.1
291.06619	4.2
291.09927	2.3
292.07285	5.5
293.08133	3.0
294.08777	9.6
295.09680	4.7
306.08890	8.6
307.09656	75.3
308.10394	3.0
309.07840	3.5
309.11227	20.7
311.13025	2.1
321.11237	55.4
327.12311	27.1
339.12225	39.4
339.22824	2.3
357.13214	8.1
357.18497	6.5
357.24258	4.2
384.82443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3523
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
51.25294	0.3
52.36237	0.3
53.14775	0.2
55.05516	7.5
57.07081	1.7
58.06602	0.6
62.06106	0.3
67.05505	0.5
69.06728	0.5
69.07067	5.7
69.83946	1.4
70.06593	10.7
71.08631	0.5
71.14126	0.2
74.06080	0.3
81.07044	0.5
83.08617	2.6
88.07632	14.0
95.08593	0.3
97.10172	0.9
102.09180	2.8
106.08671	7.2
108.06559	0.3
139.34569	0.4
188.28674	0.3
287.54208	0.3
290.01334	0.3
312.32739	0.6
338.34167	5.8
356.35226	100.0
357.35501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03925	3.5
53.18808	1.7
55.01877	19.1
55.05503	4.8
56.96564	5.7
65.03928	3.7
66.04723	1.7
67.05507	15.0
69.03421	3.7
69.07069	4.9
79.05504	8.8
81.03407	5.4
81.07053	14.3
83.04964	2.0
83.08594	2.1
85.02879	3.1
89.03939	2.7
91.05489	14.9
93.03405	4.5
93.07060	8.9
94.04178	8.1
94.57679	1.6
95.04972	5.2
95.08614	6.0
97.06552	4.9
98.97565	4.4
102.04696	2.2
103.05475	7.8
103.07042	2.0
105.03384	2.1
105.07018	7.7
107.04964	5.1
107.08593	8.3
109.02931	2.2
109.06516	8.5
109.10166	24.6
111.04417	8.4
115.05457	5.2
117.03387	5.3
119.04894	3.1
119.08572	6.7
121.06515	2.7
121.10114	4.3
122.03650	15.4
125.05959	5.1
125.09583	3.1
130.04099	2.0
131.04930	4.8
136.12022	2.0
137.05978	96.5
137.09587	9.3
143.04918	3.8
144.05698	2.3
145.02855	4.1
145.06490	2.0
146.03632	7.2
147.04480	9.7
147.08067	5.4
149.06001	5.0
151.03792	2.1
153.05481	4.9
155.04926	4.5
159.04459	2.4
161.05994	27.2
162.06737	4.7
163.03905	2.0
163.07478	3.9
165.05496	42.6
165.06892	4.1
165.09109	5.0
168.90352	1.6
171.04439	3.3
172.05186	2.8
175.07555	6.6
177.05487	14.4
178.07721	2.6
179.08585	4.0
181.12276	2.0
183.04398	2.9
183.10199	5.9
185.05971	2.7
187.07549	8.2
189.07007	8.2
190.07767	13.3
191.08560	16.2
194.07135	3.6
195.08073	4.1
201.07027	2.8
202.07841	6.1
203.07022	7.9
205.06552	3.8
206.07202	3.9
207.08026	12.6
208.08827	6.6
215.06946	11.5
217.06442	3.5
218.07233	23.7
219.08041	32.1
220.08676	1.9
221.06052	5.0
223.07547	2.8
229.06497	8.2
231.08130	3.9
233.05942	3.7
233.09651	5.3
234.06787	9.2
235.07533	20.7
236.08255	11.3
237.05424	3.3
237.09108	4.9
238.28880	1.7
239.09547	2.2
245.05814	3.8
246.06747	18.5
247.07536	40.4
248.08315	7.1
249.09148	12.9
250.06262	4.1
251.07121	4.7
251.10725	5.7
252.07909	2.5
253.08658	3.5
257.06009	10.5
258.06702	5.0
259.07495	2.6
261.09094	40.7
262.06299	6.0
263.07071	19.6
264.07834	22.0
265.08566	6.2
267.09607	4.4
267.39795	1.9
269.08002	3.4
274.06311	21.2
275.07086	21.4
276.07849	5.9
277.08585	26.5
278.09305	11.5
279.07211	2.6
279.10187	18.1
281.08304	3.6
283.08606	4.9
285.10138	5.3
289.08594	50.6
290.09381	8.9
291.06635	9.8
291.09552	2.3
292.07263	7.0
293.08084	2.9
293.11664	2.6
294.08838	5.4
295.09653	10.7
306.08777	9.0
307.09647	100.0
308.10345	4.1
309.07690	3.9
309.11139	23.1
311.12750	3.2
321.11185	90.1
324.09930	4.9
326.50601	2.3
327.12308	30.2
339.12180	56.9
357.13232	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	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.6
55.05513	17.1
57.07073	3.4
59.04991	3.4
67.05508	38.9
69.07074	26.4
69.30472	21.8
71.04996	27.8
73.06556	4.6
78.95866	2.8
79.05120	3.5
79.05496	34.6
81.03394	4.2
81.07061	75.7
83.04945	5.4
83.08650	14.0
91.05482	25.9
93.07062	31.1
95.04958	9.5
95.08610	31.0
97.06516	10.2
97.10166	3.6
105.07029	26.6
107.04946	13.8
107.08590	19.4
109.06508	30.7
109.10186	13.7
111.04434	4.2
111.08080	7.9
112.27026	3.5
113.09638	6.7
117.07008	10.9
119.08571	22.0
121.06510	4.6
121.10177	20.0
123.08061	9.8
123.11690	5.5
125.09645	3.7
129.07007	5.7
131.08580	10.6
132.87639	3.2
133.10132	20.5
135.08017	9.3
135.11693	8.9
137.09639	5.0
138.64136	2.7
139.11140	4.6
145.10120	11.9
147.11682	16.6
149.09616	11.9
149.13255	8.7
157.10083	5.5
159.11697	12.5
161.09647	3.9
161.13263	2.7
161.47107	2.6
163.11217	4.3
173.09764	3.5
173.11809	4.1
173.13228	4.8
175.11128	4.9
193.12155	3.3
217.14328	7.0
239.18138	2.9
247.20570	9.0
257.19031	9.7
275.20062	100.0
289.21515	4.6
307.22668	70.4
321.24289	6.0
356.35156	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.2
55.01873	20.0
55.05509	78.8
56.05833	9.5
56.96550	17.8
57.07069	8.8
57.94654	7.8
67.05499	99.3
69.03437	15.5
69.07063	31.5
71.04998	15.3
71.57240	13.0
78.89035	9.0
79.05502	86.0
80.05838	7.6
81.03419	21.8
81.07057	100.0
83.04986	77.5
83.08601	27.4
85.06512	11.4
91.05476	52.7
93.07053	71.0
94.53923	10.2
95.04960	32.3
95.08601	49.9
97.05972	9.8
97.06525	52.3
97.10153	48.2
98.10474	10.5
105.07036	58.9
107.04946	16.0
107.08605	56.6
109.06523	40.6
109.10162	39.2
111.08037	14.8
117.06968	12.4
119.08578	28.2
120.08898	11.4
121.06467	19.1
121.10152	19.7
123.08064	38.6
124.08405	12.4
125.09620	32.3
126.09959	21.9
131.08546	24.5
133.10109	63.7
135.08029	13.3
137.09602	16.3
139.11223	13.5
145.10118	11.8
147.11684	21.3
149.09579	19.3
151.07573	15.6
151.11179	36.2
158.09680	14.1
159.08104	14.3
163.11214	11.5
177.09157	12.2
203.12827	36.9
204.13190	32.9
207.05055	12.2
218.11736	11.7
261.18570	9.5
271.16888	13.3
274.18942	14.1
274.30667	9.6
289.18051	55.9
292.19885	32.0
303.19580	10.2
307.19043	52.5
307.22250	9.7
321.20450	11.6
324.22482	11.4
333.19019	29.3
351.20190	10.7
356.27890	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	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.05516	14.9
57.07068	5.7
67.05495	14.4
67.36777	1.1
69.06769	1.6
69.07073	15.5
70.06593	12.2
71.04585	1.8
71.04998	22.3
73.06556	3.1
79.05489	11.5
80.05788	1.3
81.03394	1.9
81.07056	21.1
82.07408	1.6
83.08620	5.4
85.06529	2.1
88.07629	15.0
91.05480	15.5
92.05794	1.9
93.07050	19.4
94.07386	2.4
95.04958	3.2
95.08606	7.5
96.08968	1.3
97.06520	3.5
97.10153	1.9
99.08109	1.8
102.09174	3.6
105.07037	10.4
106.08677	5.5
107.04923	1.7
107.08614	9.6
109.06521	1.8
109.10177	4.2
111.08108	1.5
113.09639	3.2
117.07030	4.4
118.07340	1.4
119.08592	15.5
120.08904	2.7
121.06519	12.4
121.10140	6.2
122.06847	5.0
123.08026	2.4
125.09588	2.1
125.87933	1.4
129.07028	1.6
131.08591	5.2
133.10127	9.1
135.04405	1.3
135.08078	4.0
135.11682	7.9
136.11981	2.4
137.09621	4.6
138.09949	3.3
141.89008	1.6
144.93903	1.5
145.10049	3.1
147.11644	2.7
148.08380	1.7
149.09660	2.3
149.13251	4.9
150.13626	1.6
153.19482	1.5
157.10078	1.5
159.11681	8.3
161.09694	1.7
161.13268	1.4
162.10028	1.8
163.11179	3.9
173.13290	2.7
175.07567	8.7
176.07860	8.8
177.12761	42.9
178.13092	41.0
191.08931	2.3
191.10683	38.5
192.11020	38.6
209.15414	3.0
241.18015	5.0
262.22443	1.4
275.20026	4.1
289.21484	3.3
299.16415	2.9
300.16772	12.6
306.12064	2.2
309.94040	1.5
333.06381	1.5
338.34137	7.8
356.23178	17.1
356.35233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05510	11.5
56.96576	6.1
57.03429	2.9
57.07059	1.6
62.06091	100.0
67.05505	18.6
69.07072	7.6
69.90746	2.8
69.91138	3.7
71.04987	2.9
71.08626	3.8
72.39993	1.2
73.48632	1.1
73.95027	1.1
79.05503	10.2
81.03412	4.1
81.07060	19.4
82.34158	1.2
83.04978	3.0
83.08629	6.2
85.06526	2.2
85.10167	1.3
91.05476	9.4
93.07063	14.6
95.04963	5.8
95.08607	12.2
97.06528	3.2
97.10179	4.9
98.06031	1.9
98.97555	3.9
99.08086	4.3
105.04462	1.5
105.07035	9.4
106.13725	1.4
107.08595	8.0
109.06524	1.6
109.10170	6.2
111.08105	1.5
113.09595	1.5
117.07026	3.7
119.08584	6.6
121.06534	1.8
121.10123	6.2
123.08075	1.9
124.11241	1.4
125.09628	3.0
129.07005	3.0
131.08569	3.8
133.10139	6.2
135.08008	1.3
135.11688	3.0
137.05984	1.6
137.09592	2.5
141.12732	3.5
145.10138	3.6
147.04381	1.6
147.08098	1.7
147.11711	4.5
149.13216	1.7
151.07526	2.3
151.11194	2.4
157.10184	1.6
159.11697	2.0
163.11142	1.6
165.12556	1.6
173.11723	2.4
175.14818	1.8
179.14471	1.5
196.13426	2.2
200.16472	1.4
208.16998	1.8
210.14935	4.0
214.14349	1.4
217.19432	2.0
224.16565	1.6
226.18021	10.1
228.15907	7.3
231.21037	1.6
241.19569	2.3
246.17064	3.7
263.10434	2.0
266.13580	3.1
271.16968	1.6
275.14117	3.1
277.21661	4.8
289.17920	5.4
309.96875	1.3
320.25937	19.0
321.24075	2.5
327.17618	1.6
333.19345	8.4
336.36484	1.4
338.26904	40.5
347.40646	1.4
356.16104	5.1
356.20615	1.5
356.28043	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	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73648	3.9
55.05518	18.8
56.96542	5.3
57.03437	20.4
61.02895	3.8
64.31829	3.9
67.05498	16.9
69.07052	6.9
71.57201	6.3
77.00912	6.4
78.17912	3.8
79.05494	26.8
81.03420	6.2
81.07058	21.1
83.04975	12.9
83.08597	9.0
91.05491	17.7
91.96513	3.5
93.07043	19.5
95.01933	5.1
95.04958	9.1
95.08585	9.9
97.06508	5.2
97.10191	8.5
98.97576	6.1
103.05444	5.4
105.07022	14.2
107.08609	18.6
109.06540	7.3
109.10147	5.7
117.07058	8.1
119.08571	15.2
121.06491	4.1
121.10196	9.2
125.09658	9.0
129.07021	5.1
131.00142	4.3
131.08521	8.7
133.10187	6.9
135.08070	10.5
137.09584	12.7
145.10165	6.3
147.11697	8.7
151.07602	11.6
151.66788	3.6
153.09062	6.7
154.97772	4.2
159.11693	8.1
161.09564	4.8
182.07458	3.9
185.13377	6.3
201.09662	5.6
203.12723	4.3
204.74484	4.1
207.04970	5.0
224.08026	16.0
257.12302	4.1
271.16818	6.4
275.12051	4.7
275.19968	13.5
289.17969	34.1
307.18997	6.7
313.12408	3.9
315.18127	29.8
321.20572	8.3
333.19131	100.0
351.20175	10.5
356.15103	9.8
356.18884	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	26.4
55.05507	60.3
56.96562	68.2
62.06084	84.9
67.05503	72.1
69.03439	20.8
69.07060	28.4
71.21445	42.2
76.25997	17.1
79.05486	69.6
81.03426	41.8
81.07067	47.2
83.04987	31.6
83.08606	36.4
91.04956	16.2
91.05457	87.1
91.82159	18.0
93.07040	41.4
95.04982	28.0
95.08604	40.2
98.97581	56.0
105.07039	57.0
107.08599	33.2
119.08636	23.5
121.06485	24.2
121.10140	23.4
131.92799	16.7
135.08026	20.4
147.04411	78.5
147.11833	18.7
163.03949	22.9
173.02394	24.4
237.61578	22.2
265.62967	50.4
273.06729	19.7
286.14575	20.7
289.17914	40.3
312.12994	29.2
315.17880	31.7
320.25842	100.0
333.19089	89.2
338.14642	27.4
338.26981	52.3
346.65543	68.9
355.66040	76.2
356.15106	33.2
356.19180	43.1
356.26285	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01868	14.3
55.05511	40.2
57.03426	17.7
57.10432	4.0
67.05511	61.9
69.03417	6.0
69.07078	18.2
70.01600	17.4
71.05005	5.2
79.05487	37.1
81.03422	9.4
81.07056	53.0
83.04983	100.0
83.08624	8.6
85.06538	8.4
91.05479	55.5
93.07053	50.7
95.04960	20.6
95.08611	26.4
97.06528	59.2
97.10179	5.1
101.23881	3.4
105.07029	58.7
107.04954	11.8
107.08584	47.9
109.06551	21.8
109.10160	58.8
111.08080	12.7
113.05997	5.7
117.07005	10.2
119.08588	17.7
121.06520	10.3
121.10152	11.7
123.08067	13.8
123.11705	18.2
125.06028	5.4
125.09593	6.7
129.06999	7.7
131.08582	16.2
133.06508	6.7
133.10143	85.1
135.08031	11.3
135.11687	4.1
137.06023	4.2
137.09604	7.3
139.70050	4.1
145.10156	9.2
147.08089	8.0
147.11696	5.7
149.09634	16.7
151.07593	6.0
151.11195	67.8
157.10118	4.9
159.07997	5.4
159.11732	6.5
161.09639	9.6
163.11217	5.7
173.09625	6.4
173.13249	3.7
175.11218	4.9
177.09126	17.3
183.13840	12.9
188.42618	4.1
193.12251	6.8
198.24509	3.7
221.11888	5.6
261.18466	8.4
271.16937	10.9
287.41400	3.8
289.18008	40.9
307.19070	25.6
315.16400	5.9
321.20673	13.5
333.17300	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	356.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
53.63118	4.0
54.20753	3.9
55.01877	11.4
55.05514	100.0
56.96552	6.8
57.03441	31.4
57.07068	6.1
62.64193	4.5
65.03947	9.3
66.23525	4.6
67.05173	5.6
67.05504	72.8
69.03412	15.3
69.07066	53.2
70.38087	4.0
71.04983	14.4
71.57259	6.2
75.06674	3.7
79.05493	72.2
81.03424	42.6
81.07063	49.7
83.04974	22.0
83.08611	51.8
85.06530	9.9
91.05488	49.6
93.07032	48.4
95.01340	26.7
95.04971	44.2
95.08610	17.8
97.06522	32.3
97.10168	75.8
98.97574	7.7
105.07041	42.5
107.04973	32.9
107.08593	61.4
109.02866	15.0
109.06513	39.3
109.10139	21.3
111.04446	15.0
111.08067	7.9
113.06017	14.7
115.05477	4.9
116.98600	4.2
117.07017	18.7
119.08588	36.7
121.02872	40.2
121.06522	37.5
121.10152	7.3
123.04408	12.8
123.08066	11.2
125.09634	77.9
129.07004	15.9
131.00163	3.9
131.08565	20.3
133.06482	12.4
133.10081	10.1
135.08041	39.6
135.11685	10.4
137.09656	11.5
143.08635	5.0
145.06468	5.7
145.10103	9.7
147.08055	18.5
147.11684	41.5
151.07555	8.7
153.09103	13.7
153.12773	6.1
157.10187	20.0
157.12244	5.4
159.08054	86.5
159.11649	5.6
161.09572	7.6
163.07555	13.2
163.11241	8.5
169.10022	5.0
175.11211	13.7
177.09125	6.5
178.09409	4.7
185.09752	8.0
189.11147	7.9
190.95876	4.9
193.12270	45.8
201.12724	4.2
203.10815	10.1
203.12764	80.8
211.11189	6.7
211.13210	5.0
217.14326	21.4
219.13803	15.1
221.11728	69.6
225.14745	9.8
233.15173	7.7
237.14777	6.2
239.12836	25.9
243.17493	10.3
247.13290	17.3
251.16435	14.8
253.16000	10.4
261.18649	5.0
266.35699	4.2
271.16925	14.8
271.80527	4.8
277.17981	4.5
289.17996	55.5
298.86087	4.2
303.19827	5.2
303.23068	15.7
307.19269	9.6
321.20660	10.2
333.17511	12.3
356.18875	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01865	20.3
55.05273	3.8
55.05515	49.1
57.03440	26.5
67.05508	37.2
69.07056	10.6
70.08488	14.1
71.04990	5.8
79.05504	32.8
81.03416	20.0
81.06652	4.6
81.07064	51.4
83.01339	11.3
83.04987	40.8
83.08625	34.8
85.02897	8.6
88.51950	3.9
91.05479	26.2
93.07049	48.3
95.04958	11.6
95.08591	12.8
97.06522	14.5
97.10157	19.4
98.93579	4.6
99.04418	6.2
99.08064	11.0
105.07033	12.3
107.04938	16.2
107.08607	32.5
109.06506	10.6
109.10145	12.9
111.04451	56.9
111.08105	19.6
117.07021	11.5
119.08546	29.7
121.06506	8.4
121.10159	18.5
123.08044	16.1
125.06014	5.8
125.09632	23.2
129.07005	7.1
131.08513	11.6
135.08051	14.4
135.11725	27.3
137.09586	8.5
143.24837	4.4
145.06471	5.1
145.10124	31.6
147.11723	6.2
149.09616	10.3
153.12767	33.1
155.08478	4.5
159.08073	11.2
163.11205	74.3
173.09636	25.4
181.12253	31.3
191.10692	55.4
203.12720	18.0
209.11734	82.9
223.13319	28.2
227.12804	100.0
241.14354	68.9
243.09073	3.7
261.18390	6.7
267.82312	4.2
271.16922	12.0
289.17993	50.2
303.19418	4.4
307.19052	22.2
316.79727	4.0
321.20581	67.8
324.28186	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.91456	1.5
53.03931	2.5
54.34287	1.5
55.01867	2.1
55.05516	26.7
57.03434	6.7
57.07084	14.8
65.03931	2.2
66.31538	1.4
67.05510	81.3
69.06720	2.7
69.07070	34.5
69.37781	10.2
69.38202	4.0
71.08626	7.8
73.02943	1.7
79.05504	29.5
81.07063	100.0
83.04974	1.7
83.08620	24.6
85.06551	2.2
85.10188	3.6
91.05490	19.6
93.07050	30.4
95.04963	1.7
95.08616	84.0
96.08910	1.7
97.06538	8.7
97.10182	21.5
99.08088	3.6
103.03933	1.9
105.07045	15.2
107.08601	22.9
108.25021	1.6
109.06513	2.5
109.10165	46.1
111.08088	6.7
111.11744	5.2
113.09663	1.5
117.06992	2.1
119.08589	16.1
121.10146	27.0
122.96941	1.5
123.08057	2.0
123.11717	27.3
127.11207	2.4
133.10136	18.8
135.11693	16.0
137.06035	2.9
137.13292	11.5
139.11192	1.9
147.11690	14.6
149.13242	11.7
151.07590	1.6
151.11176	2.3
151.14844	8.2
155.14313	2.1
161.13269	17.4
161.43584	1.4
163.14865	13.7
165.16399	11.6
167.14520	2.2
175.14827	11.0
177.16351	2.7
179.14201	1.6
179.17966	5.9
181.15886	2.0
183.83218	1.5
189.16414	4.3
203.18008	2.0
245.22664	52.9
247.24323	1.7
263.23734	60.8
281.25046	2.0
337.27396	43.4
355.14813	2.1
355.28561	9.5
356.35110	3.8
379.04416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03938	1.6
55.05515	27.1
57.03444	8.2
57.07083	13.7
64.43591	1.0
65.03957	1.3
67.05510	83.4
67.94461	1.3
69.07075	36.4
70.14673	2.0
70.15024	3.8
70.97547	1.1
71.05009	3.5
71.08639	5.6
73.02914	1.3
79.05496	25.4
81.07064	100.0
83.05013	2.8
83.08626	27.1
85.06567	4.1
85.10209	3.5
91.05483	22.8
93.07058	28.5
95.05018	2.1
95.08618	82.8
97.06544	8.7
97.10170	16.2
97.10679	1.6
98.20875	1.8
99.08118	4.1
99.47025	1.2
101.77620	1.1
103.03962	1.7
105.07041	16.6
107.08606	19.7
109.06540	2.8
109.10165	39.2
111.08103	4.1
111.11761	4.6
113.09715	2.0
117.07047	2.1
119.08596	17.8
121.10155	25.2
123.08145	1.7
123.11716	21.4
123.54060	1.2
125.13329	1.9
129.05530	2.9
129.07079	1.7
133.10135	20.4
133.11079	1.5
135.11707	12.3
137.06013	3.4
137.09628	2.0
137.13268	8.1
138.05336	1.1
141.12762	2.5
145.10193	1.3
147.11688	10.9
149.13264	13.8
151.07602	1.7
151.11229	3.2
151.14787	5.5
155.14368	1.2
161.13277	13.7
163.14827	11.3
165.12856	1.3
165.16417	7.5
167.14331	1.6
169.10226	1.4
171.43591	1.1
175.14845	8.6
177.09169	2.8
177.16470	2.2
179.14343	1.4
179.18044	3.8
189.16524	4.3
193.15944	1.4
239.75002	1.2
245.22665	44.7
263.23718	45.1
305.11893	3.5
337.14386	1.6
337.27417	29.2
337.31079	1.9
355.15524	4.0
355.28415	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01866	2.5
55.05516	30.9
57.03426	5.7
57.07074	14.1
64.50867	1.5
65.03938	2.3
67.05508	84.3
69.03418	2.9
69.07072	39.6
69.30769	14.0
71.04984	6.5
71.08629	9.0
73.06583	1.8
75.04480	2.0
79.05497	29.9
81.07063	100.0
83.04988	2.7
83.08627	29.9
85.06556	5.3
85.10184	3.6
85.27524	1.8
88.07664	1.9
91.05477	22.2
93.07050	33.2
95.04969	5.0
95.08612	88.2
97.06563	8.8
97.10173	17.0
99.08080	5.1
100.75932	1.5
105.07051	15.9
107.07953	2.5
107.08598	22.1
108.76569	1.5
109.06535	3.5
109.10165	46.8
111.04545	1.5
111.08092	7.8
111.11706	5.4
113.09628	4.7
119.08594	19.4
121.06507	5.0
121.09337	2.0
121.10146	27.7
122.57064	1.6
123.08126	1.8
123.11713	25.2
124.67551	1.4
124.68517	1.4
125.09636	3.6
125.13301	2.7
127.58507	1.3
129.07031	2.2
131.08575	2.8
133.10139	22.2
135.11708	18.1
137.06001	7.6
137.09630	12.0
137.13283	10.8
139.07573	3.7
139.11176	2.8
145.10138	2.3
147.11720	12.1
149.06001	3.6
149.09615	2.2
149.13261	15.5
149.36452	1.9
151.07553	3.7
151.11203	4.3
151.14795	8.3
161.09604	1.7
161.13268	15.3
163.11115	2.6
163.14832	13.0
165.12698	2.4
165.16405	9.1
167.14287	2.0
169.12236	4.4
172.95395	2.0
175.14815	11.1
177.05447	2.0
177.09068	4.8
179.10655	2.4
179.17963	5.3
181.12202	4.6
181.15958	2.1
189.09137	2.5
189.16380	5.7
201.14812	5.0
245.22667	57.2
263.23730	57.3
265.25388	2.2
273.18503	1.9
274.10098	1.7
278.75134	1.6
284.10626	3.8
285.11069	1.8
291.19464	3.6
300.93063	1.6
305.11713	6.2
306.12506	3.1
323.12799	3.2
323.22101	3.1
337.14371	5.2
337.27411	35.7
354.68259	1.9
355.15369	4.5
355.28241	5.4
356.35162	8.4
363.34460	1.9
370.41995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.06311	1.1
53.03938	2.5
55.01857	1.7
55.05268	1.9
55.05512	28.3
57.03440	6.9
57.06863	1.0
57.07077	10.9
57.41684	0.9
65.03928	2.2
67.05506	77.4
69.07069	34.7
69.29917	1.1
71.04961	2.8
71.08636	6.1
71.08953	1.2
75.04471	1.4
79.05492	27.1
81.07059	100.0
83.04963	2.6
83.08144	1.8
83.08620	28.3
85.06541	2.7
85.10165	2.0
91.04961	1.7
91.05477	17.6
93.07047	26.9
95.00188	1.1
95.04931	1.3
95.08609	81.2
97.06529	6.2
97.10168	18.3
99.08081	3.7
105.07033	13.1
107.08593	22.2
107.41759	1.1
109.10160	43.1
111.08069	4.1
111.11722	6.4
112.35993	1.2
113.09640	2.0
119.08594	13.9
119.37279	1.0
121.10154	28.2
121.92538	1.3
123.11716	22.3
123.80634	1.1
125.09614	3.2
127.11197	1.7
129.05486	2.3
133.10143	16.5
135.11687	17.9
137.09613	1.8
137.13242	8.9
139.11160	2.1
141.12726	4.4
147.11699	11.8
149.13252	13.1
151.11121	2.2
151.14769	6.4
153.12749	1.7
155.14310	2.7
161.13254	13.9
161.25789	1.1
163.14845	12.8
165.12704	1.6
165.16431	6.3
167.14325	1.8
175.14880	10.8
177.09053	1.5
177.16400	3.1
179.14265	1.5
179.17946	6.9
181.15849	2.1
189.16368	5.8
193.15939	1.2
203.18024	3.0
205.19521	1.2
207.17496	1.5
217.19460	1.4
222.44203	1.1
245.22664	55.7
247.24219	1.9
263.23721	58.4
264.24176	1.1
265.25122	1.6
315.16382	3.0
333.17316	3.8
337.27386	37.9
355.15686	2.0
355.28363	9.0
355.33267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.0
57.07060	6.4
58.96076	1.8
62.61082	1.7
67.05509	33.6
69.07069	15.6
71.01809	3.5
71.08627	2.5
79.05498	11.1
81.07060	46.5
83.08622	14.4
85.06552	3.1
85.10191	2.5
91.05456	9.9
93.07044	12.8
95.08611	45.1
97.06525	5.5
97.10186	8.8
100.03960	7.7
105.07036	6.4
107.08596	9.9
109.10172	23.6
111.08064	2.7
111.11747	3.3
119.08588	6.5
121.10158	16.8
123.11725	9.4
133.10135	8.7
135.11705	7.9
137.05957	4.1
137.13284	5.7
138.13770	1.7
147.11693	6.3
149.05988	3.6
149.13310	6.3
151.07573	4.2
151.14787	3.7
161.13266	7.0
163.14806	6.8
164.10039	1.6
165.16437	5.2
175.14844	6.2
177.09171	3.9
179.17822	2.3
180.96661	1.7
189.16347	3.3
201.09171	1.8
207.17332	2.2
245.09747	2.0
245.22662	26.2
245.74261	1.9
263.23740	31.8
284.10388	2.8
285.11230	1.8
298.58179	2.0
305.11752	6.9
337.14352	3.5
337.27493	16.1
355.15579	6.4
355.28229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
55.05499	0.7
56.05037	1.1
58.27584	0.2
60.04527	2.4
67.05507	1.1
68.05024	0.3
69.03432	0.3
69.07082	0.3
69.38882	0.4
69.39289	1.1
70.06593	1.9
72.04504	0.4
72.08144	0.5
73.04732	0.2
76.31053	0.2
78.84364	0.2
79.05482	1.2
80.05007	0.6
81.03409	0.4
81.04544	1.0
81.07067	1.3
82.06588	1.2
84.04504	0.5
84.08140	2.5
85.02880	0.4
86.09720	1.1
91.05462	1.3
93.07043	0.8
94.06567	1.6
95.04987	0.3
95.07354	0.2
95.08585	0.8
96.08131	1.7
97.02876	0.2
97.06517	0.2
97.08912	4.0
98.06033	0.2
98.09689	0.9
98.97562	0.4
102.05494	0.2
105.07023	0.4
107.08593	0.5
108.08134	0.6
109.10101	0.3
110.09679	5.8
111.10460	0.2
113.84199	0.2
115.05422	0.2
115.41058	0.2
116.07044	0.2
117.07001	0.4
119.04935	0.6
119.08552	0.4
120.08141	1.0
121.06492	0.4
122.09668	0.8
123.10435	0.6
124.11230	1.3
127.05060	0.4
129.10245	0.6
130.06456	0.2
133.02837	0.2
133.10141	0.3
134.09641	0.8
136.05080	0.4
136.07617	0.3
136.11215	0.8
137.04988	0.4
137.05983	4.1
138.12779	0.5
143.01906	0.2
146.07239	0.2
147.04410	1.6
147.08009	0.2
148.11232	0.3
150.12766	0.5
151.07520	0.4
152.14363	0.3
160.11241	0.2
161.02975	0.4
161.05969	0.3
162.12831	0.4
163.03906	0.8
163.07591	0.3
164.14330	0.3
165.05437	0.3
166.15979	0.3
176.14452	0.5
177.09143	0.6
178.15916	0.9
179.06978	1.0
180.17535	0.3
184.07657	0.3
192.17526	0.4
194.19046	0.3
196.07176	0.2
201.05493	0.4
201.09225	0.3
203.10632	0.2
204.17455	0.7
206.19051	0.3
206.60762	0.2
208.20569	0.6
210.18546	0.3
218.19150	0.2
220.20564	0.3
221.20181	0.3
223.21709	1.3
224.20064	0.5
231.06586	0.2
235.21805	0.3
236.20061	1.3
238.21651	3.0
247.21786	0.2
248.20105	0.6
249.19745	0.5
249.23242	0.3
250.21684	1.4
253.22746	1.8
259.21707	0.5
260.20166	0.8
261.23215	2.8
263.21036	0.2
266.21124	1.0
269.08322	0.3
273.23373	1.1
273.63263	0.3
274.10156	0.2
274.21786	0.2
276.23224	0.8
277.22787	0.7
278.21118	1.1
279.20676	2.1
279.23877	0.3
289.22638	0.3
291.24277	0.5
294.24307	0.5
295.24026	0.3
296.22079	1.3
305.11630	0.8
309.25223	0.4
313.24915	0.8
319.23746	0.6
327.26431	16.4
337.24866	12.8
338.13882	0.7
338.20010	0.3
338.24719	0.2
354.66122	0.2
355.25906	100.0
356.20746	1.1
356.26212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.7
55.01671	1.3
55.01876	15.9
55.05507	16.8
56.96555	5.1
57.03430	5.9
57.07053	1.5
60.02440	1.3
65.03944	2.2
67.05505	43.4
69.03429	40.8
69.07070	26.6
71.01307	1.4
71.04996	13.9
71.56714	1.4
73.02918	1.8
73.04805	1.5
79.05500	33.5
80.05015	1.4
81.03422	100.0
81.07056	94.6
83.04990	13.1
83.08616	12.7
83.63261	1.6
84.96610	1.2
85.02904	9.9
85.06553	7.8
85.07017	1.4
91.05482	45.8
93.03368	1.6
93.07043	30.6
95.04958	12.7
95.08610	28.2
97.02887	15.2
97.06535	33.9
97.10164	3.1
98.97576	10.4
99.04463	11.8
99.08076	5.4
103.05463	2.7
105.07035	51.2
107.04955	4.3
107.08593	20.1
109.02882	37.8
109.06504	5.8
109.10164	9.1
111.08082	3.4
113.05962	2.0
115.05429	3.3
116.98605	4.4
117.06982	3.6
119.08586	33.8
121.06500	4.2
121.10139	26.3
123.08056	6.1
123.11714	32.2
125.09611	2.4
127.02947	2.5
127.03918	49.1
127.07557	4.6
128.06212	1.9
129.07014	7.7
131.08589	7.7
133.06487	2.4
133.10159	11.0
133.88510	1.6
135.04387	2.1
135.07999	1.4
135.11682	2.7
137.05977	9.4
137.09583	2.2
137.13229	3.7
141.06961	2.3
142.07750	2.7
143.08591	2.5
145.06483	4.4
145.10097	3.2
146.07336	2.8
147.04396	5.4
147.08064	3.5
147.11685	92.5
149.05963	5.1
149.09648	3.9
151.07544	4.0
155.08566	3.2
157.06514	2.2
157.10097	7.5
158.99681	4.3
159.04410	2.6
159.11783	1.5
161.05980	2.8
161.09598	1.9
163.03911	15.6
163.11139	2.1
165.09058	3.1
165.12762	63.9
168.90005	1.5
169.06519	1.8
169.10115	1.5
171.08081	1.9
172.02884	1.6
173.02373	4.1
173.05986	3.0
175.11176	6.9
177.00699	2.0
177.09131	4.8
181.06543	1.4
183.08057	1.8
183.13805	14.4
185.05981	2.9
187.03929	2.7
187.07567	2.7
189.09137	3.0
191.10753	1.9
193.12259	8.9
199.03906	3.2
199.07523	2.8
201.05449	2.2
201.09154	5.1
211.07568	2.5
211.13237	2.8
211.45656	1.5
213.05495	4.4
213.09061	2.9
215.07004	2.6
217.05038	1.7
225.05525	1.9
225.09120	3.4
227.06964	2.3
229.14345	25.5
231.06410	1.9
235.13182	1.8
239.07053	3.8
241.08649	4.9
241.12221	2.7
253.14293	7.2
255.64555	3.7
259.09760	1.9
263.10477	1.5
264.64990	8.1
265.12076	1.6
265.15182	3.5
267.13837	11.8
269.07837	1.9
274.09787	1.5
277.14471	2.3
283.13107	2.1
284.10406	2.8
286.29230	1.5
291.09937	2.8
293.11731	3.5
305.11801	4.9
309.14661	2.6
311.12857	8.7
311.16092	2.4
327.15903	3.1
337.16431	12.0
355.08145	1.7
355.17361	42.8
355.26431	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	355.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
54.30196	2.1
55.01862	9.8
55.05305	2.2
55.05513	20.7
56.96553	4.5
57.03421	8.0
60.04512	2.9
61.02943	2.9
63.87505	2.3
65.03928	4.3
67.05508	35.9
69.03436	11.1
69.07057	8.8
70.06596	5.3
71.01354	4.1
71.04992	6.9
71.57255	2.2
73.02917	6.2
75.65302	2.0
79.05501	33.1
81.03422	92.8
81.07060	23.9
83.04967	11.2
83.08627	18.9
84.08157	2.7
85.02917	27.9
86.09715	2.5
91.05476	28.3
93.07046	20.3
95.01337	3.4
95.04973	58.8
95.08616	17.4
97.02872	8.0
97.05999	2.2
97.06517	14.4
97.10165	9.2
98.97554	6.4
99.04478	3.7
103.03963	13.4
103.05453	2.8
105.07037	22.8
107.04955	21.4
107.08606	18.4
109.02886	19.7
109.06578	10.6
109.10159	9.7
111.04436	9.7
111.08076	8.1
114.05467	2.2
115.05449	7.3
117.07008	12.3
119.04947	5.5
119.08577	18.4
121.02830	2.5
121.06504	10.3
121.10136	12.4
122.03648	2.9
123.04433	52.9
123.08055	5.4
125.09675	5.8
127.03895	8.7
128.06169	2.6
129.07021	17.3
131.00179	2.4
131.04929	3.6
131.08574	8.4
132.08052	2.6
133.06445	11.5
133.10141	8.2
135.04497	4.0
135.08020	8.3
135.11732	13.2
137.05975	32.6
141.06993	3.9
142.07727	2.7
143.08559	8.3
145.06546	5.5
145.10143	16.2
147.03313	2.7
147.04408	10.1
147.08026	10.8
147.11682	9.2
149.05966	8.6
149.09619	6.1
151.03954	3.7
151.07552	8.0
152.14313	6.0
153.09106	7.3
157.06526	5.9
157.10152	7.4
159.08012	2.7
160.07567	26.9
161.05966	9.5
161.09583	3.4
161.13258	3.1
163.03937	11.4
163.11182	16.6
165.05530	2.5
167.07114	11.0
169.06474	5.0
171.11685	8.4
173.02226	2.3
173.05988	6.2
173.09633	7.5
175.07545	25.5
175.11186	7.3
177.05502	5.2
177.09177	6.2
181.10013	2.5
187.07564	6.0
189.09163	2.8
189.12720	11.7
191.10675	3.2
192.37093	2.7
193.08568	8.0
193.12259	33.1
195.08014	2.3
196.16972	2.6
199.07613	3.7
201.05498	24.4
201.09085	8.0
205.06538	3.6
207.13895	12.6
211.13341	5.7
212.08243	4.9
213.05490	5.1
217.12254	16.4
227.06964	2.7
234.06721	5.5
235.13300	100.0
237.09163	2.7
241.08624	2.7
241.12262	13.1
247.13277	2.3
248.08475	2.4
249.09215	4.2
249.14911	4.2
253.14430	3.7
254.09534	3.5
257.11411	3.0
258.09335	14.3
259.13229	4.9
262.06250	6.2
263.06967	2.7
265.08545	2.7
267.13788	3.8
269.08102	2.4
269.11703	4.8
273.14859	9.3
274.10461	2.9
277.08582	5.4
277.14349	14.5
279.06668	2.8
283.13190	9.8
284.10397	4.9
290.05713	9.3
291.71518	2.5
293.11865	3.5
295.15518	3.4
297.11139	4.3
299.12775	4.4
301.14279	18.1
305.08041	13.6
305.11484	10.8
306.08276	2.6
306.12207	2.7
311.12775	8.9
313.14395	4.3
319.09689	3.9
319.15491	14.4
322.08395	3.2
323.12735	3.8
325.10687	4.4
337.10742	18.9
337.13983	4.0
337.16724	7.1
339.11996	6.0
355.16803	32.2
355.23260	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
67.05497	0.5
69.03427	0.7
69.07085	0.6
70.06603	0.6
79.05484	0.5
81.03445	0.5
82.06570	0.5
84.08145	1.2
85.02911	0.9
86.09708	0.6
91.05458	0.4
93.07071	0.6
97.06549	0.5
99.11362	0.4
104.87972	0.4
105.07041	0.6
109.10158	0.4
111.04456	0.4
121.06470	0.5
121.11160	0.4
127.04012	0.5
133.06546	0.4
137.05994	1.0
143.01913	0.5
149.06032	0.6
151.07523	0.7
161.03015	0.5
167.07104	0.4
175.07564	0.6
177.09067	0.8
181.08330	0.4
189.80322	0.3
193.08754	0.3
201.03812	0.9
203.05286	0.4
210.14935	0.7
224.20139	0.4
231.04732	0.4
238.06944	0.3
267.09033	0.9
269.08328	0.4
305.11710	0.7
337.14636	0.4
355.17307	100.0
356.17661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
56.96556	10.8
67.05478	5.3
69.03463	5.3
70.06598	29.3
71.56815	5.7
72.08153	8.9
73.04765	7.7
75.38184	5.5
79.05492	7.2
81.03443	9.2
83.04962	6.5
84.04517	9.6
84.08157	29.7
85.02891	16.3
86.09739	7.8
88.04743	6.1
90.54918	5.7
91.05430	12.2
98.97585	7.2
105.07057	6.6
107.04977	12.0
111.04394	6.9
113.06033	15.3
114.06377	6.0
117.03385	11.2
118.33604	5.7
119.01900	5.6
119.04957	23.4
120.08131	7.1
121.06490	15.1
124.90290	6.2
125.05957	7.2
131.04967	10.0
135.04425	19.0
136.07613	8.8
137.05969	32.7
145.02835	19.1
146.07286	9.5
147.04420	63.8
149.06020	25.9
151.03920	23.4
151.07553	22.2
153.05508	8.7
161.02975	6.3
163.03917	75.9
163.07608	9.5
169.06543	6.1
175.07446	6.0
177.05525	35.4
177.09070	20.9
179.03416	100.0
188.09352	5.5
191.07066	22.5
201.09143	8.7
203.07031	10.7
215.07056	7.2
217.05159	6.8
219.06584	25.8
221.04501	23.8
243.06628	5.9
254.09286	7.3
259.06134	6.5
273.07730	7.1
284.10571	6.9
285.11243	13.5
305.11670	19.6
309.09515	6.9
323.12582	15.3
337.09183	69.4
337.13742	11.8
337.21225	8.5
354.54895	5.9
355.10104	16.7
355.15277	21.9
355.22144	7.7
355.26007	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	354.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.5
56.96567	21.6
61.02920	16.6
67.05521	48.0
69.07062	16.9
70.27979	16.0
70.28374	18.9
71.08634	15.5
79.05492	26.5
81.07066	37.8
82.07366	9.8
82.11942	9.4
82.61822	9.4
91.03977	11.6
91.05487	16.3
93.07047	27.1
95.08608	36.2
95.65286	8.8
97.10149	13.1
99.08091	33.2
102.04820	9.9
106.79218	7.9
107.08594	27.6
109.10184	19.8
120.07206	10.4
121.10154	14.0
133.10101	9.7
135.11752	11.8
151.59315	9.9
179.14297	74.9
183.06914	8.9
199.06430	13.5
211.06491	17.6
229.07506	97.8
247.08554	57.7
252.09160	30.7
277.21619	100.0
306.75433	8.7
309.24185	33.9
317.17761	13.7
335.26102	19.9
354.18689	25.8
354.40878	19.5
354.69110	16.6
355.28058	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.1
55.01867	7.4
55.05515	33.7
56.96566	8.9
57.03433	7.1
58.53829	4.6
60.45535	5.0
62.06093	86.3
65.03911	5.3
67.05500	44.8
69.03417	9.1
69.07072	27.7
71.04987	7.3
71.57420	6.1
79.05499	40.3
81.03423	14.3
81.07059	71.2
83.04990	6.4
83.08611	22.7
85.02904	5.9
91.05492	37.0
93.07050	46.3
95.04966	18.6
95.08608	36.4
97.06525	16.0
97.10145	16.2
98.97594	7.9
105.07029	40.0
107.04918	11.5
107.08610	28.8
109.06503	18.0
109.10129	14.7
111.08055	7.7
114.78603	5.2
117.07013	19.8
119.08562	24.8
121.06512	12.1
121.10126	24.7
123.11707	5.6
129.06993	8.7
131.08589	52.4
133.06458	5.6
133.10106	19.2
135.11653	15.1
137.05899	6.0
137.09592	5.9
143.08568	39.0
145.10126	38.4
147.08061	6.4
147.11674	7.6
149.05894	6.0
149.09581	16.1
149.13333	7.1
151.07503	6.1
157.10091	9.2
159.11685	12.6
161.09584	6.6
163.03900	10.6
163.11139	6.7
169.10204	6.3
171.11647	11.1
173.02362	6.6
173.13290	6.2
183.11668	6.1
187.03964	9.4
187.14868	5.6
195.11652	5.8
208.16866	11.1
227.17755	7.0
236.16695	7.7
237.16336	13.0
247.24371	6.0
250.17914	6.8
254.17438	9.7
255.17357	17.2
267.13931	11.1
268.19159	13.3
273.18478	61.2
275.20029	10.3
291.19498	100.0
294.24149	22.6
305.11594	6.7
318.24368	45.1
336.25378	31.8
354.19070	10.1
354.23080	14.2
354.26266	25.1
355.15201	6.9
367.17865	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	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21012	0.6
53.03945	1.1
54.00999	0.7
55.05513	5.2
57.03408	0.8
57.32167	0.8
58.06589	1.1
58.92722	0.7
67.05508	11.7
68.05836	1.1
69.07068	6.2
70.06595	9.3
71.11951	0.7
71.57314	0.8
74.06082	0.9
79.05485	4.5
80.05826	1.1
80.17327	0.6
81.07059	11.0
82.07370	1.6
83.08602	2.0
88.07635	14.4
91.05463	1.2
93.07070	3.2
95.08610	7.1
96.08938	1.1
97.10201	1.2
102.09169	3.4
105.07018	1.8
106.08680	6.1
107.08599	2.3
108.08897	0.7
109.10166	3.8
119.08578	0.8
121.10131	1.8
123.11671	1.1
131.08563	1.1
133.10078	0.9
134.02710	0.7
135.11658	1.3
150.13591	1.1
164.15195	0.7
200.23238	0.8
228.07393	0.7
229.07404	0.8
244.21381	1.7
261.22250	0.9
262.22537	4.3
271.37753	0.7
336.32565	5.6
344.47369	0.7
354.33664	100.0
355.33954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	3.0
55.05516	21.6
57.03431	6.3
57.07072	6.3
60.04510	4.5
63.40034	2.3
65.03959	2.5
67.05508	100.0
68.05846	2.7
69.07075	23.1
69.61261	11.6
71.04991	5.3
71.08635	4.7
74.50167	2.3
79.05495	62.9
80.05000	3.9
81.07056	98.0
83.08623	10.7
84.08129	2.2
85.06541	6.6
91.05482	32.3
93.06470	4.5
93.07046	78.2
95.04973	7.7
95.08611	84.5
97.06522	4.0
97.10174	8.0
98.09741	2.7
99.08090	6.2
105.07036	29.4
107.08604	48.7
108.08925	2.5
109.06541	6.2
109.10152	38.4
110.10507	3.3
111.08085	2.6
113.09626	5.4
117.07043	12.8
119.08588	25.4
121.09325	3.5
121.10144	37.1
123.11729	14.5
125.09585	4.0
129.05603	2.4
129.07054	3.5
131.08577	30.3
133.10143	19.3
134.10519	2.7
135.08055	3.9
135.11702	29.9
137.09601	4.0
137.13281	8.0
145.10135	19.7
147.11679	17.3
149.09592	4.1
149.13268	21.1
151.11168	2.4
151.14806	3.4
159.11678	17.6
161.13251	11.5
163.11172	4.6
163.14836	19.5
171.11697	2.5
173.13269	23.1
177.12758	7.5
177.16362	7.3
187.14841	10.0
219.20956	2.5
233.22656	6.8
243.21121	40.0
258.19455	3.0
261.22171	94.6
262.22528	3.7
275.19827	14.5
276.20435	10.5
279.22995	4.1
293.23151	17.2
335.26105	13.8
353.16229	4.4
353.25394	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05518	16.9
56.96560	2.3
57.03430	5.6
57.07075	4.7
58.06599	1.8
65.03928	3.4
67.05508	82.0
69.07071	11.9
69.60956	2.2
69.61369	8.1
69.73437	1.5
71.04993	2.6
71.08635	2.5
79.05060	2.5
79.05499	40.4
81.07061	100.0
83.04981	3.1
83.08621	11.9
83.69791	1.4
84.07341	1.5
85.06548	5.0
91.05479	23.6
93.07050	53.7
93.12112	1.7
95.04962	3.7
95.08613	76.3
97.06525	2.9
97.10161	4.4
98.20824	2.9
99.08076	4.0
105.07042	17.4
107.08601	38.5
108.26163	1.6
109.06546	1.7
109.10152	44.0
117.07027	9.3
118.80804	1.4
119.06093	1.7
119.08597	18.0
121.10154	29.2
123.11723	21.7
125.09614	3.3
130.65002	1.6
131.08574	20.2
133.10147	14.2
135.08119	2.2
135.11690	22.5
137.13307	7.5
143.08633	2.2
145.10130	16.1
147.11691	13.0
149.13283	20.4
151.11211	1.7
151.14813	2.1
157.10182	2.2
159.11722	15.5
161.13264	10.1
162.38272	1.8
163.14850	12.2
173.13271	15.7
175.14778	3.8
177.12778	1.8
177.16443	5.5
187.14781	9.8
201.16389	3.4
215.14441	2.2
215.17912	2.5
233.22641	3.8
243.21074	26.5
261.22153	97.1
279.09052	2.2
279.23138	8.1
311.11734	1.9
326.49023	1.7
335.25912	14.1
353.15799	3.0
353.27054	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
54.60766	1.6
55.05518	11.8
57.03432	2.3
57.07063	5.3
60.42865	1.4
60.86298	1.5
65.03934	3.3
67.05510	71.5
69.07081	8.9
69.81441	9.0
72.05012	1.4
73.70544	1.4
73.74296	1.8
79.05502	33.1
80.26678	1.4
81.07065	79.6
83.08609	5.2
85.06547	2.4
91.05489	18.1
93.07050	53.4
95.05016	2.1
95.08612	53.8
97.06532	4.2
97.10201	2.6
98.20827	2.2
99.08098	2.7
105.07045	16.4
107.08604	31.7
109.06528	1.4
109.09462	2.4
109.10174	35.5
114.45093	1.4
117.07008	8.6
119.08559	13.1
121.10145	27.8
121.10927	2.7
123.11714	19.1
127.33810	1.5
130.52760	1.7
131.08580	16.5
131.73694	1.4
133.10144	11.9
135.11708	23.7
137.13248	6.2
139.08519	1.5
145.10136	14.5
147.11710	10.7
149.13258	16.6
150.38342	1.5
151.14764	2.2
153.12624	1.8
159.11693	12.3
161.13261	9.2
163.14844	12.7
173.13249	19.4
175.14807	3.0
177.05098	1.6
177.16353	4.5
187.14806	7.3
191.14282	1.9
201.16489	3.0
205.15880	1.9
226.58263	1.5
233.22681	4.1
243.21106	26.8
261.22168	100.0
262.22504	3.3
271.99875	1.6
279.23212	2.5
284.11707	1.9
335.26007	8.0
353.26917	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05504	13.9
57.03432	7.2
57.07070	3.5
65.03951	3.3
67.05504	87.2
69.07074	11.8
71.05009	2.8
71.08659	2.9
71.21457	3.8
79.05489	39.7
79.41302	2.1
81.07059	100.0
83.08630	8.4
85.06519	2.3
91.05474	18.0
93.07044	59.0
95.08611	76.2
95.23727	2.5
96.10503	2.2
97.10164	3.7
105.07030	18.6
107.08607	33.3
109.10155	38.8
117.07031	6.5
119.08613	12.5
121.10150	28.5
123.11694	18.0
131.08563	16.0
133.10129	15.4
135.11696	26.7
137.13280	7.3
145.10110	14.9
147.11699	12.6
149.13252	17.4
151.11151	2.4
152.03722	2.3
155.08430	2.4
157.21227	2.8
159.11684	12.9
161.13301	8.9
163.14851	10.6
172.42969	2.5
173.13248	14.9
177.16331	4.7
179.14275	4.4
187.14844	7.7
205.15738	3.5
233.22787	6.4
243.21011	22.6
261.22153	84.9
279.23370	4.6
335.25732	13.3
353.26974	34.8
355.47897	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
53.95274	1.6
55.05516	11.8
57.03429	5.0
57.07064	6.1
62.90781	1.3
62.99727	1.4
65.03937	2.1
67.05508	91.6
69.07072	14.9
70.51081	1.6
71.04958	2.8
71.08614	2.1
77.03941	1.6
78.62044	1.4
79.05494	50.9
81.07059	90.7
83.08627	7.3
85.06546	1.8
90.92295	1.4
91.05488	21.8
93.07049	63.4
95.04989	2.5
95.08611	64.8
97.06486	2.7
97.10170	2.0
98.20715	3.2
99.08099	2.1
105.07022	16.5
107.08598	40.8
109.06499	2.3
109.09461	2.5
109.10159	37.1
113.09646	1.5
117.07068	8.7
119.08580	17.2
121.06496	1.7
121.10146	34.3
121.11024	1.8
123.11723	19.6
131.08580	19.9
133.10147	13.6
135.11697	30.2
137.09662	2.1
137.13277	5.4
139.11201	1.4
145.10121	18.2
147.11685	12.1
149.13264	20.6
151.11227	2.1
153.12668	1.7
159.11693	13.4
161.13258	9.3
163.14833	13.7
165.12753	2.1
173.13266	16.9
175.14850	3.5
177.12689	1.5
177.16354	4.4
187.14819	9.4
201.16319	2.6
215.17941	1.9
219.17401	2.0
233.22638	4.7
243.21057	26.1
261.22156	100.0
263.23621	1.8
279.23166	3.5
294.86066	1.4
302.10596	1.3
335.25797	10.2
353.26956	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.05521	10.7
57.03444	3.1
57.07074	2.8
65.03940	2.5
67.05508	70.0
69.07059	10.4
71.05000	2.0
79.05058	2.8
79.05495	35.3
81.07060	75.6
83.04982	1.9
83.08607	5.7
83.37987	1.7
85.06544	2.7
91.05481	19.3
91.22025	1.6
93.07050	51.5
95.08609	53.4
97.06513	3.2
97.10180	2.9
98.21609	3.0
105.07050	14.9
107.08603	33.4
109.06554	1.9
109.07367	1.7
109.10169	28.0
117.07011	6.0
119.08582	12.9
121.10149	24.5
123.11725	16.0
125.09617	2.6
131.08577	18.7
133.10133	12.9
135.11707	22.9
137.09666	1.9
137.13254	5.6
145.10136	11.3
147.11681	8.5
149.13277	18.5
151.14827	2.8
159.11716	12.0
161.13242	6.2
163.14842	12.2
173.13261	13.9
175.14828	4.3
177.16373	4.9
187.14810	7.6
201.16179	2.1
233.22650	5.4
243.21083	26.0
261.22165	100.0
279.23291	2.8
335.26059	9.7
353.26862	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05513	7.8
57.03421	4.9
57.07080	3.7
61.01279	1.9
67.05508	62.3
69.07065	9.8
75.04423	2.0
79.05495	32.0
81.07059	68.5
83.08616	4.1
91.05477	15.2
93.07047	33.8
95.08611	58.7
97.10153	4.1
105.07042	8.8
107.08585	23.6
109.10165	26.4
117.07020	6.3
119.08598	10.5
121.10135	20.5
123.11738	22.3
131.08569	15.1
133.10129	8.0
135.11717	24.0
137.13252	8.5
145.10149	11.7
147.11696	9.8
149.13264	18.8
159.11682	14.1
161.13266	6.6
163.14818	13.8
165.12741	2.7
173.13287	16.5
177.16386	7.5
187.14812	8.3
233.22668	4.8
243.21124	29.7
261.22153	100.0
279.23206	5.9
323.14249	2.0
335.25842	18.7
353.26895	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.00713	1.6
53.03939	2.2
55.05518	13.3
57.03429	6.5
57.07072	5.2
65.03944	1.7
66.77795	1.2
67.05507	97.6
69.07069	12.5
69.84019	6.2
71.04996	2.4
71.08633	2.0
72.35144	1.6
75.04472	1.3
79.05064	3.0
79.05499	41.8
81.07061	91.7
83.08627	6.7
85.06534	3.5
91.05489	19.3
93.07049	51.9
95.04992	1.4
95.08613	73.6
97.06523	1.5
97.10175	3.7
99.08055	2.3
105.07034	15.3
107.08591	36.3
109.10164	38.2
117.07002	9.8
117.42065	1.3
119.08590	12.1
121.10142	33.6
123.11716	18.0
129.61375	1.4
131.08562	18.0
133.10147	12.4
135.11699	25.2
137.13257	7.1
139.11227	1.6
144.11508	1.6
145.10136	15.5
147.11688	9.2
149.09753	1.4
149.13261	21.2
151.11166	2.3
153.12712	2.3
159.11705	12.4
160.82710	1.3
161.13287	9.2
163.14819	14.3
173.13263	17.3
175.14847	3.1
177.16376	4.6
187.14848	8.7
201.16327	3.4
205.15877	1.8
215.17860	1.9
233.22542	3.6
243.21112	26.3
261.22156	100.0
262.22409	1.5
263.23590	2.1
279.23181	7.3
317.24661	1.8
319.75858	1.5
335.25787	14.8
353.26883	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	3.7
53.42289	1.4
54.17881	1.4
55.01867	4.5
55.05513	46.3
57.03438	19.0
57.07087	8.4
57.35923	1.4
59.04987	2.0
61.56154	1.5
65.03944	2.9
65.66876	1.4
67.05505	93.9
69.03426	2.4
69.07071	48.9
70.16425	6.7
71.04986	5.4
71.08633	40.0
79.05491	44.2
79.05959	2.1
81.07056	94.2
83.04968	5.1
83.08623	23.1
85.06553	8.2
91.05483	23.0
93.07043	50.3
95.04987	2.6
95.08609	75.6
97.06544	9.8
97.10181	22.9
99.08096	30.2
105.07040	15.0
107.08592	38.3
109.06586	1.8
109.10150	40.3
111.08071	3.7
111.11688	1.8
117.07024	7.5
119.08575	12.3
121.10135	25.1
123.11691	17.3
125.09638	12.1
131.08580	10.7
133.10112	8.7
135.08072	4.6
135.11703	26.8
137.09598	2.3
137.13263	9.3
145.10130	10.8
147.11703	14.3
149.09589	2.2
149.13257	13.8
151.11179	2.3
151.14842	4.1
153.12784	8.4
159.11732	6.8
161.13252	7.5
163.11261	3.5
163.14812	10.7
165.12798	5.9
167.14322	2.2
173.11739	5.5
173.13300	10.3
175.14899	1.9
177.12749	3.0
177.16386	3.2
179.14304	3.7
181.15839	3.4
187.14897	5.6
189.11209	9.9
191.14258	2.9
195.13860	1.9
201.16333	2.0
202.15930	2.9
209.15321	1.9
210.92851	1.6
233.22723	4.8
243.21078	19.2
248.33502	1.5
261.22134	48.8
279.23132	26.2
279.25903	2.0
300.13666	4.7
335.25748	4.2
353.26941	100.0
354.27246	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03952	2.0
55.05513	11.9
57.03428	4.2
57.07069	5.6
59.61603	1.4
63.64690	1.5
65.03925	2.4
65.31979	1.4
67.05508	74.6
69.07075	11.3
70.01947	6.7
71.04961	3.1
71.08632	1.9
78.38486	1.3
79.05495	46.4
81.07060	78.7
83.04952	1.7
83.08614	7.1
85.06544	2.7
91.05489	24.1
93.07047	61.5
95.04949	3.0
95.08610	64.3
97.06518	4.5
97.10137	3.7
99.08099	4.8
99.61952	1.6
105.04499	1.8
105.07040	18.5
107.08601	39.7
109.06551	2.3
109.10151	24.0
111.11749	1.8
113.09615	2.3
117.07030	8.4
119.08586	12.6
121.10157	31.0
123.11699	13.5
131.08580	27.4
133.10138	11.2
135.11696	21.5
137.09586	2.7
137.13229	9.3
139.26852	1.6
145.10135	16.5
147.11682	12.1
149.09544	1.8
149.13260	21.6
151.14786	3.5
153.12663	1.6
159.11664	12.0
161.13298	11.1
163.14848	17.3
173.13277	14.5
175.14854	3.8
177.12871	2.9
177.16353	7.2
187.14853	14.7
191.14423	1.8
201.16341	2.6
233.22620	6.9
243.18787	3.0
243.21117	38.5
261.22165	100.0
262.22586	2.1
279.23151	4.2
335.25787	12.7
353.26874	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.8
55.05511	15.8
56.96566	2.2
57.03437	7.6
57.07070	5.0
58.46103	1.0
59.05010	1.2
61.62852	1.2
65.03932	2.6
66.43107	1.1
67.05504	90.0
69.03431	1.8
69.07069	12.5
71.05000	2.4
71.08606	2.0
72.08539	1.2
75.04475	1.5
77.03475	1.3
77.03923	1.4
79.05493	38.3
81.03436	1.1
81.07057	100.0
82.07427	1.0
83.04980	1.4
83.08611	9.1
85.06535	3.2
85.71397	1.1
91.05480	21.0
93.07043	55.5
95.04949	2.8
95.08607	73.7
97.06528	4.1
97.10169	4.5
98.09693	3.3
99.08100	2.5
100.11260	1.7
103.05447	1.2
105.07034	18.2
107.08597	31.1
109.06522	2.8
109.10154	39.2
111.08080	2.8
113.09679	1.7
117.07000	10.3
119.08571	15.6
121.10141	29.6
123.08130	1.5
123.11698	19.9
125.09653	4.3
131.08557	18.4
133.10143	13.8
135.08028	2.8
135.11688	26.1
137.09642	2.8
137.13252	8.4
139.11197	1.7
143.08653	1.3
145.10130	16.5
147.11717	9.6
148.90556	1.1
149.09665	1.3
149.13248	20.9
151.07516	1.4
151.11214	2.0
153.09152	1.2
153.12738	2.4
159.08067	3.3
159.11693	12.7
161.13278	10.6
163.11220	1.5
163.14832	12.8
165.12761	2.9
167.10655	1.1
173.13240	14.8
175.14870	2.5
177.12752	1.6
177.16441	3.3
179.14359	2.1
187.14787	8.6
191.14348	1.3
201.16379	1.8
203.12984	1.1
215.17923	1.2
229.34328	1.4
233.22597	2.8
243.21082	23.2
243.23334	1.8
261.22141	89.5
262.22375	1.6
271.16940	1.5
276.20221	1.4
279.23166	6.7
317.24622	1.7
321.91772	1.2
335.25940	13.6
353.17007	4.6
353.27094	26.4
354.26404	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.05517	26.1
57.07084	6.8
62.72133	4.0
67.05510	33.2
69.07072	49.5
69.85149	7.4
69.85564	19.6
79.05493	21.2
81.07057	48.3
83.08612	20.6
91.05502	36.6
93.07043	54.1
95.04967	16.1
95.08611	90.6
97.06522	12.6
97.10178	5.3
98.20834	7.2
105.07034	50.9
107.08598	66.3
109.06489	6.6
109.10155	39.7
111.08087	46.7
115.05437	5.4
117.07005	14.6
119.08582	100.0
121.06551	6.7
121.10139	79.2
123.11726	19.7
129.06984	5.1
131.08589	33.8
133.10138	45.4
135.08063	22.1
135.11719	17.6
137.05986	84.6
137.09637	9.3
139.07532	5.9
143.08583	18.3
145.10135	42.7
145.88599	5.0
147.08089	22.6
147.11684	17.3
149.09622	18.5
149.13257	9.9
155.08502	6.0
157.10150	38.7
158.10910	7.7
159.08109	10.8
159.11711	24.3
160.12373	4.7
161.13277	11.5
165.09169	6.4
168.09315	6.8
169.10114	12.1
171.11758	22.8
173.13216	15.4
175.14825	22.6
177.09114	13.5
177.16379	51.8
181.10118	6.7
183.11702	19.8
185.13231	19.2
187.14886	12.1
189.16402	41.9
197.13277	18.2
199.14845	10.0
201.08992	6.8
201.16425	11.5
203.10686	5.3
209.13200	5.8
211.11128	12.7
211.14825	15.8
213.16476	6.4
215.17934	10.5
225.16402	5.2
227.17981	8.6
229.12320	4.6
239.17863	9.4
241.19530	5.3
254.20322	10.8
267.21069	9.1
335.23709	14.9
353.24701	88.5
353.29425	8.6
353.30362	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
60.04526	0.4
65.28336	0.4
70.15483	1.2
79.05492	1.2
80.05006	1.2
81.07069	0.8
90.45619	0.4
92.05810	0.5
93.07043	0.4
96.71219	0.4
97.10237	0.4
98.10543	0.4
99.40562	0.3
107.08611	0.8
108.08967	0.4
132.83636	0.3
207.15651	0.5
225.16701	0.4
260.50961	0.4
276.20395	1.2
293.23083	2.3
335.21030	0.7
353.22940	100.0
354.23370	1.5
371.23251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0849
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
50.94444	0.6
56.96562	5.4
69.03419	1.7
70.54482	0.6
71.55311	1.2
85.02890	4.2
87.12095	0.8
97.02869	1.3
98.97578	3.9
100.99130	3.2
110.97582	1.1
112.89604	4.1
114.89328	1.3
116.98610	1.5
119.94643	0.7
126.97073	1.1
127.03931	1.6
128.98634	2.2
131.00209	3.8
131.02003	0.6
140.98659	0.7
143.00188	1.1
143.01894	2.1
144.98070	1.1
145.05025	0.9
146.99699	1.0
148.74284	0.8
149.01218	5.3
155.01909	1.2
158.99721	1.1
161.02946	1.5
162.99181	0.9
167.02213	1.2
172.97612	2.3
173.02933	0.9
183.05016	1.2
185.03058	1.1
190.98685	4.2
191.02217	0.9
192.05560	1.3
202.91864	0.9
203.02209	0.9
203.04047	1.9
208.97769	0.6
208.99702	3.8
214.98561	1.1
219.01781	0.8
232.99690	6.8
237.02776	4.1
245.05116	2.3
248.92500	0.7
251.00732	2.4
255.03883	2.3
263.06107	1.7
293.02286	1.3
293.05286	4.8
311.06332	3.3
314.46362	0.8
330.87454	0.8
335.02747	1.9
353.08438	100.0
365.09143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91249	14.8
55.05496	20.6
67.05508	32.3
68.23229	17.5
79.05473	34.9
81.07058	41.6
83.08621	17.8
84.82613	15.5
86.57561	16.8
91.05484	25.1
93.07034	35.1
95.08589	25.3
107.08583	26.0
121.10165	33.4
133.10120	20.0
193.05072	18.2
275.19971	100.0
307.22592	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.3
55.36609	12.3
67.05507	92.5
69.07059	36.4
69.14944	11.2
79.05502	69.6
80.37849	11.8
81.07066	80.7
91.05449	27.0
93.07053	71.1
95.04926	15.3
95.08624	78.1
97.06528	13.5
105.07034	51.2
107.04967	26.7
107.08596	51.1
109.10167	38.7
110.46964	11.0
116.81153	11.6
117.07052	15.9
119.08571	30.9
121.10146	45.6
123.11681	18.1
124.88319	11.9
125.09603	28.6
131.08528	17.9
133.10141	18.2
135.11691	33.8
145.10178	33.8
149.09665	15.6
149.13284	22.7
149.42593	12.2
159.11726	16.8
163.14810	15.8
203.12767	26.8
204.26497	12.3
243.21054	23.0
254.01076	14.2
260.20377	15.0
261.22153	72.7
275.20074	100.0
307.22617	35.6
320.23117	13.1
345.83466	14.4
348.67001	12.9
353.26813	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	352.2848
Annotation	Melophlin F
Peak:m/z	Relative Intensity
50.87712	2.5
53.16256	2.4
55.05514	12.0
56.05037	3.1
57.07071	6.3
58.02964	4.1
58.06593	4.6
67.05506	50.4
69.07068	27.7
69.26823	12.7
69.27247	10.6
70.06242	4.1
70.06593	44.3
71.08625	4.2
79.05493	22.9
81.05792	2.3
81.07061	39.6
82.06568	12.7
83.08625	11.2
84.04485	4.3
84.08163	3.0
85.06537	3.2
85.10219	2.1
91.05475	10.6
93.07047	24.7
94.06572	10.3
95.07325	3.0
95.08613	31.3
96.08144	13.5
97.10173	4.4
100.11256	4.2
105.07034	9.2
107.08570	14.1
109.08928	3.3
109.10145	16.6
114.12797	4.4
116.05591	2.2
118.60852	2.4
119.08588	7.1
121.10133	7.0
123.08115	2.7
123.11755	5.6
126.12804	31.9
131.08577	3.7
133.10124	3.9
135.11710	3.2
139.19736	2.5
145.10129	4.3
147.11688	3.9
151.11157	2.2
152.14279	2.8
154.12259	10.4
166.15942	27.9
180.13849	7.0
200.16307	2.8
212.16451	32.9
220.16980	7.4
240.15884	7.2
252.19579	36.8
283.41699	2.5
293.24680	3.6
301.56024	2.5
310.27377	4.4
320.25638	3.4
334.27429	4.9
335.29434	11.7
352.28455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01860	2.9
55.05512	10.4
56.05033	13.4
56.42294	1.2
56.96560	4.4
58.58315	1.5
60.04522	15.5
62.06104	2.5
67.05507	24.9
68.05019	4.4
69.03423	2.7
69.07065	19.8
70.02953	1.6
70.06594	4.9
70.45547	4.9
71.04954	2.2
72.08151	1.6
79.05064	2.5
79.05495	39.7
80.05025	7.2
80.05804	2.1
81.03417	7.9
81.06585	1.7
81.07055	24.7
82.03741	2.7
82.06588	6.5
83.04982	2.3
83.08628	3.8
84.08158	1.6
87.04450	1.7
87.08807	1.4
91.05471	20.9
92.05811	2.3
93.07045	34.1
94.06567	18.3
95.04945	4.6
95.07347	5.1
95.08605	20.1
96.08117	2.5
97.06512	6.1
97.10173	3.0
98.06051	1.7
98.97614	1.7
99.04439	2.3
105.07029	24.7
106.06544	3.9
106.07298	1.7
107.04944	4.8
107.08603	15.0
108.08129	8.9
109.02873	3.4
109.06519	2.7
109.08913	1.9
109.10161	7.9
110.06072	1.7
117.07012	5.2
119.08589	16.4
120.08104	4.5
121.06470	1.8
121.10139	34.5
122.09648	4.2
123.11678	1.5
125.09637	2.7
127.03899	5.9
129.07011	3.2
131.08595	9.3
133.10124	12.2
134.09627	3.3
135.11746	3.1
136.11195	3.1
137.06007	1.5
138.12781	14.5
143.00063	1.4
143.08539	2.1
145.10130	8.7
146.61285	1.4
147.11705	7.9
148.11179	2.6
149.09627	3.8
149.13353	2.1
150.12831	2.9
152.06923	1.3
157.10170	2.2
157.23328	1.8
159.08167	1.5
159.11703	4.5
161.13260	1.7
163.03906	4.0
163.11177	2.7
164.14381	1.5
171.11697	1.5
173.11917	1.3
173.13249	5.1
176.14395	2.3
177.12750	60.7
180.13840	16.7
189.11160	2.6
192.13817	1.8
194.15421	8.4
202.30768	1.4
204.13770	7.6
206.15424	3.3
208.13530	2.1
210.14935	2.6
212.16493	9.3
215.06448	1.6
218.15413	3.4
222.14876	12.0
223.15749	2.7
224.16338	4.1
226.14328	3.1
228.96265	1.5
229.19495	1.6
236.16431	13.3
239.17996	2.4
241.78084	1.3
246.22127	1.5
254.17531	5.8
257.18939	7.0
269.10779	1.7
274.21588	20.0
275.20056	37.2
292.22714	100.0
293.20981	2.2
302.09018	5.7
302.60056	1.5
310.23718	2.2
316.22665	4.2
334.13495	2.4
334.23724	31.2
340.69382	1.5
352.18176	2.1
352.24905	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01873	2.1
55.05270	1.8
55.05514	22.4
56.05027	3.9
56.96562	1.3
57.03424	1.7
58.96109	0.8
59.04983	0.9
60.04533	15.5
65.03946	0.9
67.05176	1.2
67.05508	16.5
68.05033	1.3
69.03435	2.0
69.07069	11.5
70.06586	2.6
71.05003	1.2
71.57243	1.5
79.05494	24.8
80.05019	53.6
81.03416	1.5
81.07060	19.3
82.06585	5.0
83.04971	1.6
83.08630	11.5
84.08131	1.5
85.06512	1.0
87.42930	1.0
89.88342	0.9
91.05485	19.0
93.05801	1.6
93.07052	19.3
94.06570	10.0
95.04969	3.2
95.07347	3.1
95.08609	10.6
96.08115	3.4
97.06493	1.7
97.10181	16.6
98.09701	3.4
105.06381	1.8
105.07040	24.2
106.06552	1.8
107.04944	1.1
107.08598	31.0
108.08125	7.9
109.06497	2.1
109.10174	4.9
110.09696	1.8
111.08108	1.8
117.07033	4.5
119.08574	14.7
120.08130	2.1
120.72531	1.0
121.10142	13.8
122.09664	2.2
123.08080	2.1
124.11239	2.6
125.09642	12.9
129.07010	2.4
131.08540	6.8
133.10136	13.4
134.09596	2.1
135.08049	1.9
135.11649	1.8
135.87682	1.0
136.11247	2.5
138.12759	3.5
143.08545	1.1
145.10155	4.8
147.11696	8.8
148.11229	1.4
149.09575	1.5
150.12807	1.9
152.10721	1.3
153.09100	3.4
157.10106	2.6
159.11699	4.6
161.09641	1.0
161.13300	3.1
163.11163	1.0
163.14717	1.0
170.11876	1.0
171.10307	1.3
171.11734	2.9
173.13252	1.9
174.12820	1.9
176.14365	2.4
177.12605	1.2
180.13892	1.1
183.11789	1.5
189.11223	10.1
189.12819	2.9
192.13882	4.1
193.12184	1.5
204.13815	11.5
206.15424	7.3
207.13965	1.1
210.14912	5.0
219.13608	1.0
222.14911	15.2
223.15541	1.5
224.16473	14.0
229.19559	2.1
239.18008	1.7
248.16492	1.7
257.19037	7.3
269.12369	1.7
272.20081	2.5
274.21671	14.3
275.20059	35.9
287.13492	1.4
290.21185	5.5
292.22717	75.2
293.21121	3.0
310.23816	2.1
316.22623	4.3
334.23782	15.7
352.24890	100.0
353.18713	1.8
353.22949	30.2
371.63980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01870	3.2
55.05513	18.5
56.05035	2.6
57.03431	3.1
60.04248	1.8
60.04526	12.8
61.47490	1.3
62.05976	1.4
67.05177	2.1
67.05510	27.5
69.03442	2.3
69.07075	19.7
69.80393	5.2
70.06602	2.4
71.04963	2.5
71.08632	1.7
77.80799	1.4
79.05493	28.5
80.05022	33.6
80.05775	1.5
81.03447	1.5
81.07064	26.4
82.06593	4.0
82.07385	3.6
83.04982	2.4
83.08611	8.8
84.08144	1.9
86.78689	1.4
91.05486	22.6
93.07042	24.4
94.06572	12.0
94.07417	2.4
95.04975	5.7
95.07363	2.8
95.08038	2.2
95.08608	19.0
96.08121	3.7
97.06551	3.8
97.10178	11.3
98.09695	2.8
99.08087	1.5
105.04488	2.1
105.07036	23.9
105.07677	1.7
106.06554	3.3
107.04967	2.0
107.08601	30.1
108.08137	5.6
108.08871	1.8
109.06520	3.4
109.10159	9.8
110.09714	2.5
111.08072	2.6
117.07050	3.5
119.08578	20.8
120.08099	2.5
120.08921	1.7
121.10141	12.6
122.09631	1.7
123.08075	1.6
124.11215	2.8
125.09651	8.0
127.46194	1.3
129.07019	3.3
131.08557	8.7
133.10124	16.0
134.09627	2.1
134.10515	1.9
135.08121	1.9
135.11703	6.6
138.12799	1.8
143.08611	1.5
145.10133	7.2
147.11714	10.2
148.38649	1.4
149.09662	1.9
151.04417	1.4
153.86180	1.4
154.46851	1.4
155.36197	1.5
157.10147	2.2
159.11671	6.5
161.13239	2.7
163.11197	2.6
171.11684	2.2
173.13191	2.1
177.12755	2.8
179.14323	2.5
180.13908	1.7
189.11237	5.5
192.13885	3.3
197.13297	1.4
204.13847	10.6
206.15471	5.8
210.14948	5.9
222.14902	17.8
223.15739	3.6
224.16472	5.9
229.19572	1.4
242.17216	1.3
242.19914	2.9
243.21288	1.9
257.18979	10.3
260.20996	5.6
261.22211	3.4
272.20050	3.0
274.21655	16.7
275.20059	38.4
278.22089	3.8
290.21216	3.4
292.22748	72.6
293.20981	2.9
296.32120	1.6
310.23758	2.1
316.22748	5.1
327.48016	1.4
334.23767	20.4
352.25015	100.0
366.83865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00845	1.5
53.03936	2.2
55.01867	3.4
55.05519	16.3
56.05029	4.4
56.96555	3.5
57.03418	3.4
60.04522	15.4
67.05173	2.2
67.05510	26.1
67.97114	1.4
69.06730	2.0
69.07074	29.7
70.06591	4.3
71.04988	3.8
71.56518	2.7
79.05495	25.9
80.05015	28.3
81.03413	4.6
81.07059	23.0
82.06583	4.1
83.04972	3.9
83.08617	8.0
84.08132	2.8
85.06568	1.7
91.05484	24.5
92.05026	2.0
93.05791	1.7
93.07045	22.6
94.06580	16.8
95.04963	6.0
95.07343	3.5
95.08614	15.4
96.08128	3.0
97.06534	5.3
97.10171	6.3
98.97594	2.6
103.05490	2.0
105.07037	23.4
106.06564	5.4
107.07349	1.8
107.08590	25.1
108.08118	10.1
109.06508	2.5
109.10163	7.7
111.08128	1.9
117.07027	5.4
119.08586	20.4
120.08086	6.4
121.06528	2.2
121.10146	8.6
122.09691	3.1
123.08137	2.0
124.11240	2.7
125.09652	4.5
128.98674	1.8
129.07005	2.2
131.08585	8.9
133.10135	14.6
134.09679	3.5
135.11664	3.2
139.49037	1.6
143.08528	2.5
145.10143	9.2
147.11719	10.8
148.11208	2.7
149.09581	3.9
157.10106	3.1
159.11710	9.4
161.09590	2.3
161.13235	2.7
162.12772	1.9
163.11206	4.9
173.13274	3.3
174.12770	1.8
176.14392	1.9
177.12778	2.1
180.13878	2.4
183.11751	2.2
189.11247	3.7
189.12746	1.7
192.13943	3.4
193.12129	2.0
198.14960	1.5
201.12694	1.6
204.13861	20.5
205.12347	1.6
206.15392	4.8
210.14900	5.3
222.14902	32.5
223.15672	3.9
224.16446	6.5
236.16553	2.4
239.18008	2.0
246.22232	2.4
257.18991	10.6
272.19876	2.2
274.21680	21.1
275.20050	44.2
276.20020	1.9
283.58398	1.6
290.21228	4.2
292.22717	86.3
293.21170	3.8
302.09189	2.8
310.23840	2.5
316.22678	4.8
317.75613	1.6
334.23779	20.9
352.21582	63.2
352.24896	100.0
353.25467	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	352.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05090	2.0
51.31569	1.8
53.03959	2.9
55.01859	3.1
55.05502	6.2
56.96568	6.0
57.03447	3.3
61.02930	2.6
67.05512	11.8
67.27442	1.8
69.03426	5.1
69.07059	5.3
70.06593	4.1
70.22339	5.8
70.22729	3.7
72.08160	4.4
79.05504	11.5
81.03420	100.0
81.07063	17.1
83.04990	7.3
83.08624	25.6
84.08136	2.7
85.02910	5.2
86.06092	2.5
91.05492	22.1
93.07065	12.5
95.04971	26.9
95.08614	5.9
97.02917	2.1
97.06528	7.5
98.97602	10.0
103.03940	2.6
105.07056	12.9
107.04971	6.6
107.08602	7.5
108.46297	2.3
109.06551	4.3
109.10183	4.8
111.08087	10.1
116.98578	3.7
119.08585	9.9
121.10130	8.6
123.11639	2.4
129.07007	9.6
131.08569	9.4
133.10130	12.6
137.05959	4.7
143.00130	2.5
147.08049	2.7
147.11694	8.1
149.09610	5.4
151.11180	6.3
157.10159	10.2
157.54308	2.4
158.99635	2.6
165.12735	3.2
169.08635	16.7
175.11162	13.7
193.12257	85.3
203.07394	2.7
211.13293	8.1
215.12790	2.1
219.01852	3.2
237.92003	2.2
238.18056	2.2
253.12627	6.2
259.09637	2.7
262.13333	3.8
267.15918	48.0
267.18628	4.0
285.16980	70.1
317.15915	6.6
336.53845	2.1
352.21124	4.8
352.24939	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	351.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	40.0
57.07078	18.5
67.05495	35.2
69.03438	9.4
69.07064	67.7
71.06672	22.8
79.05489	28.6
81.07059	66.2
83.08605	22.2
83.44885	10.8
91.05479	50.8
93.07050	68.4
95.04965	20.5
95.08604	76.5
96.03362	10.3
97.06526	24.8
104.77555	10.6
105.07036	92.2
107.08625	48.2
109.06535	23.5
109.10186	60.4
117.07025	10.2
119.08585	100.0
121.10149	42.6
123.11655	15.8
131.08575	45.4
133.10120	51.8
135.08105	11.5
135.11668	17.6
143.08566	35.3
145.10132	47.1
147.11687	29.4
149.09637	28.6
155.08305	10.3
156.09341	12.5
157.10146	42.6
159.11710	38.9
161.09653	40.9
161.13239	14.7
171.11717	35.1
173.13229	16.0
175.11134	11.7
175.14796	10.3
177.16406	14.9
180.14789	14.6
181.15051	12.7
183.11688	10.9
185.13297	27.8
211.14923	11.8
227.17622	9.4
263.87131	12.4
267.21420	11.8
280.09439	11.2
351.27606	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	351.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.46031	1.1
55.01874	1.4
55.05513	10.5
56.96574	5.3
57.03444	8.3
57.07074	1.2
65.03934	1.9
67.05510	22.2
69.03426	1.4
69.07076	11.1
70.88895	1.1
71.08625	1.3
71.56569	1.5
71.95230	1.2
72.77130	1.1
75.04482	1.9
79.05062	1.5
79.05498	18.9
80.05030	1.3
81.03413	1.3
81.07063	24.8
83.04984	4.4
83.08624	6.0
85.06535	1.9
89.82426	1.2
91.05487	16.8
93.07051	27.8
95.04964	2.5
95.08614	20.4
96.50155	1.1
97.06556	2.2
97.10171	3.2
99.08091	2.6
103.03966	1.2
105.07027	18.1
107.08594	18.6
109.06535	2.5
109.10162	8.0
111.08081	1.2
117.06987	3.3
119.08592	17.7
121.06490	1.6
121.10147	13.3
122.03689	2.8
123.08057	1.9
123.11720	2.5
127.24407	1.0
129.07027	2.4
131.08589	5.7
133.10132	15.6
135.08044	1.4
135.11720	11.9
137.05986	100.0
137.09598	1.8
143.08575	3.2
145.10110	5.6
147.11703	11.9
149.01279	1.0
149.09587	1.8
149.13260	6.0
151.11176	1.5
153.12723	2.1
157.10107	3.7
158.03583	1.1
159.11737	5.0
161.13287	7.7
163.14861	3.0
165.12663	1.6
170.15414	2.4
171.11734	4.1
173.13237	3.0
175.14830	3.7
177.12743	1.7
179.14427	2.1
182.15350	5.5
185.13283	2.6
187.14735	1.2
199.14923	1.8
231.21138	3.1
234.43436	1.2
241.19531	8.4
259.17972	1.0
259.20566	25.0
261.10178	1.1
275.20093	1.7
277.21567	8.5
292.22736	3.6
306.20633	7.8
314.70605	1.1
316.23059	1.2
333.17145	6.5
333.24088	2.5
351.17786	8.8
351.21408	5.1
351.25244	33.4
352.24976	4.8
356.28802	1.0
369.19250	3.6
374.19754	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32523	1.8
53.03939	4.8
55.01860	2.9
55.05516	17.7
57.03449	11.1
57.07071	2.2
65.03930	2.5
67.05177	3.1
67.05508	48.6
69.07071	16.6
70.68320	2.2
70.68656	5.3
71.08610	4.1
71.87746	2.1
75.04470	2.5
79.05499	59.2
81.06596	3.0
81.07065	53.5
83.04974	4.2
83.08623	10.5
85.06501	3.0
87.04544	2.5
91.05487	46.4
93.06480	4.0
93.07048	79.3
95.04968	4.1
95.08620	41.4
97.06501	7.2
99.08082	9.2
105.04519	2.5
105.07031	50.1
107.04937	2.6
107.08605	52.6
109.10182	16.4
111.08073	2.7
117.07016	11.3
119.08585	40.6
121.06480	2.4
121.10158	40.0
123.08038	3.4
123.11657	4.8
125.09631	2.8
129.06996	7.3
131.08580	18.0
133.10149	41.2
135.08067	3.8
135.11694	47.6
137.05963	4.4
143.08577	11.7
145.10129	23.4
147.11707	39.2
149.09703	3.3
149.13255	26.7
151.11063	2.8
157.10107	9.5
159.11703	18.0
161.13278	29.9
163.11122	2.9
163.14807	8.5
165.12743	2.2
171.11655	14.7
173.13232	6.9
175.11302	2.9
175.14836	14.3
177.12683	5.4
179.14211	2.8
180.85020	2.5
185.13249	9.2
187.14738	3.3
189.12715	4.0
191.16557	2.4
199.14813	10.1
213.16309	3.8
217.15854	2.3
217.19452	2.3
219.84863	2.3
231.21107	11.0
241.19572	30.6
259.20605	100.0
264.10037	3.7
275.61069	3.6
277.18378	4.1
277.21591	18.1
333.24176	9.2
351.20697	11.9
351.25262	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01844	3.0
55.05512	24.2
55.43089	1.4
57.03437	34.8
57.07064	3.9
63.17499	1.4
64.08276	1.5
65.03924	2.5
67.05505	47.1
68.56540	1.4
69.06782	1.3
69.07072	16.4
69.75822	8.2
71.04985	4.4
72.52325	1.6
73.05570	1.2
75.04479	1.7
79.05491	53.6
81.07059	68.4
82.30721	1.5
83.04964	5.1
83.08626	14.4
85.06538	5.0
91.05486	40.8
93.07045	67.1
95.04955	4.0
95.08614	45.1
97.06516	5.2
97.10165	4.4
98.97574	3.5
99.08069	3.2
105.04551	2.4
105.07031	39.5
107.08597	40.5
109.06489	4.0
109.10159	16.4
111.08105	3.4
111.21449	1.4
117.07024	10.2
119.07792	2.7
119.08582	31.6
121.10146	33.6
123.08103	1.8
123.11697	7.2
125.09590	3.1
129.07010	6.7
131.08580	19.3
133.10124	31.0
135.11691	30.3
137.09650	1.7
139.11134	1.7
143.08546	5.4
143.32350	1.5
145.10141	16.8
147.11693	34.8
149.13248	20.5
151.11150	2.2
157.10144	8.3
159.11691	13.6
161.13251	16.5
163.11189	2.7
163.14830	5.0
165.12737	4.7
171.08325	1.4
171.11691	6.5
173.13292	6.6
175.11298	1.6
175.14764	6.8
185.13275	7.0
187.14833	9.3
199.14870	5.3
205.15865	3.8
213.16454	1.9
215.17917	1.7
221.15378	2.1
221.19012	3.8
231.21094	3.3
241.19518	17.8
259.20575	51.8
277.21637	23.9
333.24365	8.3
351.14890	3.0
351.25308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43415	1.6
53.03941	5.1
55.01860	2.2
55.05297	1.7
55.05513	17.7
56.96551	2.4
57.03440	10.9
59.81728	1.6
65.03923	2.0
67.05508	50.8
69.03413	2.5
69.07073	15.9
70.16590	4.0
71.08606	4.5
75.04467	2.2
79.05495	67.9
81.03462	1.9
81.07062	51.0
83.04974	3.3
83.08635	8.5
85.06528	3.6
91.05488	50.9
93.07051	98.5
95.04967	6.5
95.08052	2.8
95.08611	38.3
95.41521	1.6
97.06546	5.2
97.10171	2.4
98.21529	1.5
99.08084	4.4
102.99651	1.8
105.04544	2.8
105.07040	62.0
107.08602	56.0
109.06496	3.1
109.10157	15.6
111.08112	3.0
113.09660	1.7
117.07024	12.4
119.08592	48.5
121.10155	41.4
123.08084	1.7
123.11703	4.5
125.09634	2.0
129.06984	6.7
131.08566	23.5
133.10147	53.8
133.91238	1.7
135.10672	3.4
135.11696	46.9
143.08591	7.9
145.10143	23.4
147.11702	43.5
149.09639	3.6
149.13269	25.6
151.11166	3.6
157.10181	8.6
159.11702	21.5
161.13258	33.2
163.11226	3.3
163.14862	7.7
171.11682	11.6
173.13295	9.5
175.14850	14.5
177.12756	3.6
179.14308	6.7
185.13275	10.8
187.14804	2.3
189.12718	3.0
199.14854	5.7
203.14529	2.1
213.16335	5.7
215.17838	1.9
217.15790	2.1
217.19531	2.2
231.17499	2.5
231.21075	7.9
236.08884	1.6
241.19530	33.1
255.39952	1.8
259.20590	100.0
277.21628	19.5
322.47650	1.9
333.24283	12.4
351.18442	4.1
351.25302	95.2
352.25800	2.2
369.19424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.05512	19.6
57.03436	8.1
57.07072	5.1
57.84008	2.6
67.05508	54.6
69.07062	16.2
71.00838	6.3
71.04984	3.5
79.05496	74.8
81.07069	64.4
83.05003	2.9
83.08613	12.8
85.06545	5.1
91.05481	52.1
93.07051	100.0
95.05013	5.4
95.08612	42.2
97.06519	4.6
97.10201	3.8
97.43888	2.8
99.08096	6.6
105.07044	56.2
107.08598	55.5
109.10128	16.7
117.07035	14.4
119.08591	47.5
121.10150	48.3
128.40102	2.9
129.07019	5.6
131.08580	20.0
133.10150	51.9
135.11702	48.1
143.08588	10.0
145.10129	20.7
147.11703	51.2
149.09676	5.9
149.13272	28.1
151.11171	3.4
157.10172	9.1
159.11713	16.8
161.13263	41.6
163.14867	8.5
171.11723	12.2
173.13307	11.0
175.14830	18.8
177.12694	3.2
179.14345	11.1
185.13245	17.6
187.14864	4.4
189.12804	4.9
189.16211	2.9
199.14868	6.9
203.14320	2.8
213.16473	5.0
231.17558	2.7
231.21103	8.6
241.19495	44.4
246.03163	2.5
259.20605	96.6
266.67407	2.7
277.21606	22.3
333.24268	9.0
351.25342	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01863	5.5
55.05511	23.8
55.71820	2.0
56.96560	3.0
57.03440	31.1
57.07060	5.6
60.04513	2.8
65.03939	2.9
67.05505	64.1
69.03403	1.9
69.07062	21.4
70.09468	9.6
70.11339	2.0
71.04976	5.2
71.08620	25.5
79.05493	49.4
81.03403	5.7
81.06581	3.1
81.07056	62.8
83.04994	4.1
83.08627	15.9
85.06522	7.9
85.46236	1.9
91.05482	40.8
93.06474	4.5
93.07040	66.8
95.04953	8.6
95.08604	41.9
97.06499	6.2
97.10170	10.9
99.08079	21.8
105.04562	3.1
105.07025	40.4
107.08595	43.4
109.06496	5.8
109.10160	17.7
111.08071	6.0
117.07032	11.7
119.08590	28.4
121.06509	2.3
121.10141	27.9
123.11690	4.2
125.09604	6.8
129.07005	6.0
131.08566	11.8
133.10123	24.9
135.11716	23.4
137.09616	2.4
143.08574	3.0
145.10114	12.9
147.11685	27.0
149.13287	15.2
151.11208	12.4
157.10141	5.6
159.11678	8.2
161.13248	19.9
163.11174	8.1
163.14835	4.6
165.12737	3.7
171.11700	6.7
173.13326	4.4
175.14809	9.8
177.12712	3.8
179.14305	7.6
181.12233	2.5
185.13264	6.8
187.14883	5.5
189.11194	2.6
189.12775	3.0
193.15874	2.5
199.14827	5.3
205.15771	2.7
215.17619	2.1
221.18904	2.9
231.21036	4.2
241.19473	12.9
259.20578	36.9
275.19998	3.0
277.21646	36.3
292.22644	5.1
293.20728	3.0
333.15601	3.5
333.24301	5.0
340.62744	2.2
351.17642	7.6
351.21353	100.0
351.25302	85.0
352.24991	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01861	2.0
55.05511	17.1
57.03437	8.8
57.07065	3.6
59.95777	0.9
65.03928	2.3
67.05506	43.5
69.03423	1.0
69.07066	16.0
69.38372	7.2
70.73209	0.8
71.04977	2.6
71.08627	1.1
75.04464	1.8
77.03925	2.3
79.05494	66.3
81.07058	56.3
83.04967	1.6
83.08620	8.9
85.06530	3.4
86.83542	0.7
91.05482	52.9
92.05815	0.9
92.66494	0.8
93.07046	86.6
95.04963	5.1
95.08606	37.4
97.06521	2.4
97.10174	3.2
99.08111	4.1
105.04512	2.4
105.07033	54.3
107.04941	1.3
107.08598	49.2
109.06519	3.1
109.10156	13.1
111.08088	2.6
113.09637	2.2
115.05381	0.9
117.07018	12.0
119.08582	49.9
121.06518	1.2
121.10143	38.3
122.48714	0.7
123.08032	2.4
123.11708	3.9
129.05463	1.9
129.06998	10.5
131.08574	22.2
133.10129	46.1
135.08060	2.6
135.11694	41.2
135.12537	0.5
135.95805	0.8
137.05949	2.0
137.09602	1.2
137.13181	0.8
139.11182	1.2
143.08559	9.2
145.09042	1.7
145.10120	22.0
147.08047	0.9
147.11688	46.6
148.11984	0.9
149.09599	3.1
149.13255	24.9
151.11224	1.2
157.10138	8.9
159.11687	20.1
161.09634	2.8
161.13261	37.0
163.11169	3.8
163.14862	9.6
165.12735	1.6
171.11687	16.3
173.13248	11.5
175.11261	4.0
175.14827	20.4
177.12759	4.1
177.16447	1.3
181.96866	1.0
185.13272	13.9
187.14824	4.0
189.12691	4.2
189.16400	1.5
191.14288	1.3
199.14821	7.3
201.16383	1.3
203.14253	1.8
213.16347	4.9
215.17970	1.7
217.15829	1.8
217.19521	6.3
221.15314	1.7
231.17526	4.3
231.21091	9.1
235.16849	1.1
241.19524	40.9
243.20952	1.3
252.13831	0.9
259.20572	100.0
260.20981	2.1
261.21936	1.2
263.08411	0.8
277.18362	1.9
277.21609	16.0
333.24222	11.2
340.03333	1.1
351.25296	93.4
352.25662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
53.78281	1.4
55.01861	1.7
55.05514	17.2
57.03429	5.9
57.07083	2.5
61.70604	1.4
65.03940	2.4
66.78152	1.5
67.05509	43.4
67.30058	1.3
69.07071	12.9
70.73016	1.8
70.73365	4.5
71.04979	2.0
75.04495	2.4
77.03918	2.0
79.05495	66.9
81.07061	40.8
83.08617	6.7
85.06557	2.4
87.70577	1.5
91.05486	59.8
93.07051	85.7
95.04973	4.4
95.08614	28.2
96.00583	1.4
97.06551	3.6
99.08091	2.9
103.05486	2.0
105.07031	61.4
105.65157	1.6
107.08601	41.5
109.06499	2.3
109.10156	13.9
113.09694	2.6
117.07022	14.1
119.08588	53.9
121.10155	37.0
123.11709	2.4
129.07019	9.5
131.08565	18.7
133.10138	49.9
135.11703	33.7
143.08612	8.7
145.10127	23.6
147.11687	48.7
147.12793	3.1
149.09657	2.3
149.13275	20.2
157.10161	11.1
159.11667	23.0
161.13268	32.1
163.11096	2.3
163.14815	5.7
165.12619	1.8
171.11748	12.4
173.13274	9.4
175.14830	12.4
185.13280	13.3
187.14861	2.6
199.14822	6.6
201.16368	1.9
203.14372	3.5
213.16396	3.8
215.18057	2.9
231.17470	3.6
231.21136	9.6
241.19516	32.0
259.20590	100.0
277.21536	7.4
333.24438	1.9
351.18506	3.5
351.25333	68.7
369.19836	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
51.60384	1.2
53.03943	3.0
55.01874	4.9
55.05297	1.7
55.05516	17.4
57.03442	8.2
57.07072	3.7
67.05508	46.0
69.07071	16.2
70.81367	3.5
71.04982	4.9
71.08636	3.1
75.04464	2.9
77.03909	1.9
79.05497	67.1
81.07059	58.5
82.07397	1.4
83.04974	2.3
83.08629	10.8
85.06538	3.6
91.05487	48.7
93.07050	85.8
95.04986	4.9
95.08612	36.4
97.06512	3.8
97.10157	3.4
99.08089	3.9
99.43575	1.3
105.07037	54.0
105.07769	2.7
107.07867	2.9
107.08599	52.0
109.06537	8.8
109.10160	12.3
111.04443	5.7
111.08135	1.5
113.09693	1.8
117.07013	11.8
119.08590	55.3
121.10153	42.6
123.08068	3.4
123.11728	5.2
125.09670	2.4
128.06224	2.4
129.07019	8.6
130.07813	1.3
131.08578	21.1
133.10141	43.0
135.08115	2.7
135.11699	47.5
137.05984	35.4
137.09586	2.1
143.08560	11.0
145.10120	20.8
147.08037	1.5
147.11694	49.3
149.09593	4.8
149.13260	23.6
151.11214	1.7
157.10132	9.1
159.11702	18.9
161.09674	3.0
161.13255	37.5
163.11197	6.4
163.14813	11.1
165.12747	2.6
171.11719	13.4
173.13271	10.0
175.11250	3.5
175.14838	17.0
177.12762	2.9
177.16446	1.5
179.14243	1.8
185.13239	12.8
187.14819	3.8
189.12730	3.2
199.14790	8.0
203.14253	1.5
203.17973	1.6
206.62468	1.3
213.16367	4.2
217.19507	4.2
221.15430	1.7
231.17438	7.1
231.21075	9.0
235.16885	1.6
241.19537	32.4
249.18497	3.1
257.93951	1.6
259.20584	100.0
277.18002	21.0
277.21606	15.3
295.19284	2.3
333.24271	11.5
351.21231	26.7
351.25305	87.7
352.25543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01878	1.9
55.05517	15.5
57.03421	7.6
60.56329	2.2
62.01231	1.7
67.05179	2.9
67.05508	46.1
69.07073	19.7
70.96271	5.0
71.05001	2.1
75.04481	2.3
75.53649	1.9
79.05064	4.3
79.05495	57.3
81.07058	44.6
83.08619	7.9
85.06568	2.5
85.86346	2.0
91.04965	3.3
91.05486	40.0
93.06477	4.2
93.07049	76.8
93.07632	4.1
95.04984	4.0
95.08605	28.9
97.10178	4.6
99.08076	5.3
105.07034	49.1
107.08601	41.5
109.06500	2.2
109.10168	14.1
109.10793	2.5
117.07022	10.6
119.07805	3.9
119.08594	43.2
121.09322	3.0
121.10152	40.7
123.08090	2.2
123.11671	3.6
123.73617	2.1
128.48601	2.1
129.07011	6.1
131.08583	17.7
133.10130	45.2
135.11697	38.0
137.09633	2.7
140.44812	1.8
143.08614	9.6
145.10139	17.9
147.11691	39.6
149.13258	22.1
153.44284	2.1
157.10095	9.0
159.11702	18.1
161.13258	37.3
163.11259	2.7
163.14806	6.2
164.76266	2.2
171.11699	11.1
173.13226	9.9
175.11171	3.9
175.14830	16.2
177.12654	2.4
185.13260	15.4
187.14758	2.3
189.12749	3.5
191.14217	2.6
193.12216	2.3
199.14806	7.2
212.26793	2.3
213.16397	3.8
217.15872	2.9
217.19496	3.9
231.17455	2.6
231.21062	9.9
241.19537	40.5
259.20584	100.0
260.20715	2.5
277.21603	17.6
333.24170	11.8
351.25296	98.6
352.25836	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34419	2.1
53.03945	3.1
54.52872	2.0
55.05516	13.4
55.05740	3.1
56.96583	2.5
57.03439	4.9
63.86961	2.0
67.05511	36.4
69.07080	13.7
69.97293	8.9
69.97707	4.1
71.04982	2.5
71.08628	3.3
75.04470	3.4
79.05066	3.9
79.05496	58.7
81.07058	45.5
83.08610	6.3
83.14021	2.0
85.06540	2.8
91.05483	58.4
93.06481	4.0
93.07047	68.9
95.04964	3.0
95.08603	34.8
97.06527	3.1
99.08093	4.6
105.07036	65.2
107.08595	43.7
109.06512	2.3
109.10176	11.6
117.07008	9.6
119.07803	4.0
119.08592	51.1
121.10154	31.8
122.56967	2.2
123.08094	2.4
129.06987	7.9
131.08548	19.3
133.10130	44.5
135.11690	29.0
143.08566	9.1
145.10139	17.2
147.11700	44.1
149.09605	3.4
149.13303	20.9
157.10130	11.4
159.11708	20.9
161.13266	33.1
163.03990	2.7
163.11160	3.5
163.14815	8.6
171.11702	17.5
173.13280	12.7
175.11172	3.0
175.14819	20.5
177.12766	3.0
179.65111	2.4
185.13333	19.5
187.14810	3.8
189.12730	3.8
199.14813	9.6
202.15475	2.5
213.16389	2.7
215.17987	2.8
217.19641	2.7
231.17476	3.7
231.21071	14.6
241.19539	38.1
259.20584	100.0
277.21585	5.1
277.68692	2.4
299.08817	2.5
333.20450	3.3
333.24191	4.5
351.21304	85.6
351.25308	81.8
352.25266	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98530	2.0
53.03946	4.0
55.01870	3.2
55.05511	15.8
57.03431	8.2
57.07077	3.8
63.24940	1.7
65.03928	2.6
67.05173	2.7
67.05505	37.2
69.07067	15.5
71.04985	2.6
71.08620	5.5
71.21763	3.5
75.04487	2.2
79.05495	48.2
81.06585	2.5
81.07062	42.1
83.04951	2.4
83.08627	6.4
85.06531	3.6
88.79539	1.7
91.05483	55.4
93.06474	3.6
93.07050	69.4
95.04946	5.7
95.08616	28.0
97.06531	4.8
97.10187	3.9
99.08090	7.5
105.07034	58.3
107.08599	38.3
109.06507	3.0
109.10162	12.8
109.71973	1.9
113.09677	3.4
117.07011	10.5
119.08588	52.7
121.10153	28.3
123.11721	3.1
129.07019	7.5
131.08575	17.6
133.10146	45.1
134.47917	1.8
135.05240	1.8
135.11703	31.0
143.08578	8.9
145.10120	19.4
147.11693	47.4
149.09637	2.7
149.13261	20.7
151.11153	2.4
157.10172	9.9
159.11685	16.1
161.09631	2.1
161.13271	36.0
163.11172	4.7
163.14815	6.1
165.12770	2.0
171.11717	12.8
173.13266	8.0
175.11359	3.1
175.14842	16.6
177.12807	3.4
179.14365	2.6
185.13307	16.7
187.14807	2.9
189.12769	2.1
189.16461	1.9
199.14857	6.1
203.14330	2.3
213.16321	2.8
217.19470	2.7
231.17427	2.8
231.21005	9.1
241.19514	36.4
259.20584	100.0
264.10049	2.1
277.21570	9.6
351.25299	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01860	5.0
55.05273	3.1
55.05516	38.0
56.20094	2.5
56.96576	14.7
57.03440	18.4
57.07056	5.4
65.03931	3.7
67.05506	70.4
69.03431	3.1
69.06779	2.7
69.07073	31.3
70.00271	12.3
71.04985	3.9
71.08636	22.9
73.10838	2.2
75.43765	2.4
79.05497	60.0
79.05956	3.1
81.03421	5.7
81.07064	73.3
83.04979	8.7
83.08624	22.0
85.06550	3.8
86.54453	2.3
91.05484	52.3
93.07044	73.1
95.04965	10.0
95.08611	51.7
97.06518	12.3
97.10169	9.0
98.21469	3.1
99.08089	23.1
105.07034	44.5
107.08595	49.9
109.06541	5.4
109.10166	23.9
111.08070	4.9
113.09647	4.5
117.07016	9.3
119.08578	35.1
121.06528	2.6
121.10151	36.9
123.08041	6.6
123.11741	5.5
125.09602	5.1
129.06999	9.0
131.08577	18.6
133.10130	35.9
135.11699	36.6
137.05984	15.8
137.09596	6.6
142.34360	2.4
143.08534	5.3
145.10132	12.7
147.11696	32.1
149.09616	4.1
149.13277	19.9
151.11211	15.3
157.10129	4.7
159.11674	15.0
161.13248	25.7
163.11143	7.3
163.14859	5.4
165.12769	6.1
171.11676	9.9
173.13246	5.5
175.11293	3.6
175.14818	10.0
177.12813	4.9
179.14323	43.1
185.13258	8.6
187.14934	3.1
189.12733	4.0
199.06294	2.7
199.14847	5.1
217.07515	3.6
221.15242	2.5
231.21078	6.6
241.19585	15.9
243.09018	7.6
255.09178	3.5
259.20587	43.8
259.23059	4.1
277.21652	44.5
287.82968	2.6
292.22763	5.9
296.32272	3.0
299.11633	3.1
333.17416	27.8
333.24347	6.0
351.18430	48.2
351.25327	100.0
352.25180	6.7
369.19675	14.5
374.19891	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03934	0.7
55.01862	0.7
55.05500	2.4
56.96550	1.8
57.03435	1.5
67.05510	7.1
69.07082	3.1
69.41782	0.5
70.19679	1.6
70.20088	1.1
71.08625	1.3
79.05499	4.5
81.03398	0.7
81.07060	5.2
83.04974	1.2
83.08613	1.0
85.06537	0.6
90.34429	0.5
91.05480	3.1
93.07050	4.9
95.04960	2.1
95.08617	3.2
97.10162	0.7
99.08079	1.1
105.07037	3.1
107.08585	3.2
109.06509	0.9
109.10155	2.1
117.07016	0.7
119.08598	2.8
121.10148	1.8
131.08548	1.0
133.10188	2.6
135.08038	0.9
135.11731	1.4
143.08638	0.9
145.10126	1.1
147.11708	1.1
149.13271	0.9
153.12755	0.6
159.11635	0.9
161.13292	1.5
163.11176	0.7
171.11623	0.7
173.13242	0.6
175.14841	1.0
185.13277	0.5
237.14941	0.6
241.19409	1.1
259.20663	2.1
269.10788	0.7
275.19910	0.7
277.21664	3.3
293.21106	1.9
331.15756	1.7
333.16302	0.7
349.16754	2.6
351.21432	100.0
351.25250	7.9
352.25085	0.7
367.17801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05508	2.6
57.03425	0.8
64.80219	0.5
67.05505	4.2
69.07057	1.9
69.49762	2.1
69.50177	1.1
71.04997	0.7
71.08635	0.8
77.82847	0.4
79.05494	3.3
81.03423	0.9
81.07057	3.6
83.08600	0.7
91.05476	2.4
93.07040	2.9
95.04961	1.3
95.08602	2.8
99.08108	0.8
105.07021	2.1
107.08653	2.3
107.09223	0.5
109.06567	0.7
109.10110	1.3
117.07050	0.7
119.08569	2.0
121.10132	1.1
122.30087	0.5
125.09618	0.5
131.08563	0.9
133.10133	1.4
135.11742	1.1
145.10144	0.7
147.11690	1.2
149.13306	0.8
151.11205	0.8
159.11726	0.5
161.13297	1.3
171.11690	0.6
175.14832	0.5
177.12836	0.6
179.14410	0.7
189.07835	0.5
222.14932	0.6
237.14897	0.6
241.19501	1.0
254.97357	0.5
259.20493	2.4
275.20087	0.7
277.21585	2.4
293.21100	0.5
331.15781	0.5
335.64584	0.6
349.16992	1.7
351.21423	100.0
351.25116	5.2
352.21576	1.1
352.25510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01870	4.7
55.05510	5.3
59.04975	1.3
59.92447	1.0
65.03938	1.3
66.76971	1.1
67.05495	9.7
68.13135	1.1
69.03428	3.0
69.07063	3.3
71.04986	5.1
71.08616	1.3
71.28131	2.7
79.05509	8.9
81.03421	4.7
81.07067	10.3
83.04979	2.0
83.08648	3.5
85.02930	1.4
85.06535	3.1
91.05489	16.9
93.07050	7.6
95.04967	3.0
95.08607	5.0
97.02908	2.2
97.04276	1.2
97.06561	1.5
97.10162	1.5
105.07042	14.5
107.04957	5.1
107.08606	5.0
109.10170	3.9
115.05449	1.8
115.99538	1.2
117.07037	4.6
118.68501	1.4
119.04955	25.2
119.08619	3.8
121.06532	1.4
121.10152	2.8
123.04459	2.2
123.08041	1.6
124.28750	1.1
125.02206	1.2
127.03873	1.8
128.06189	2.3
129.07051	3.2
131.05009	1.2
131.08589	4.8
133.06476	2.1
133.10133	11.3
135.04402	3.0
135.08015	1.7
135.11678	1.9
141.06996	1.7
142.35217	1.2
143.08578	2.4
145.06462	2.7
145.10156	4.1
147.04417	100.0
147.11671	1.8
149.02390	2.5
149.09607	1.4
151.03894	1.7
151.11244	3.5
155.08545	2.2
157.06447	2.3
159.04462	2.1
159.11647	2.1
159.44341	1.2
161.05960	2.3
161.09645	3.8
163.03923	3.4
163.11205	2.9
165.05542	1.2
169.12297	2.2
170.62773	1.2
173.06004	2.7
173.13318	1.4
175.03923	2.8
183.08057	1.4
185.09814	1.3
185.13310	1.4
187.07706	1.5
187.13255	2.8
189.05510	3.4
189.09082	2.7
189.43723	1.3
199.11177	1.7
217.05128	2.0
221.04446	5.3
223.11087	2.6
223.83235	1.3
227.10658	1.9
229.07428	1.2
229.12273	2.1
233.11777	2.2
233.33406	1.3
241.08731	1.3
241.12209	2.9
243.13737	1.4
251.10637	2.0
259.13449	1.8
269.11887	3.7
269.65326	2.1
279.10242	1.7
287.12854	4.5
291.10275	2.0
297.11172	3.2
304.06775	1.2
305.08176	1.3
305.13812	3.7
315.12238	12.2
319.09689	10.5
333.13339	48.9
351.12476	4.8
351.25031	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	350.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12423	0.9
55.01874	1.1
55.05505	4.3
56.05011	1.3
58.06589	1.5
59.03445	0.9
60.04504	2.6
67.05494	1.5
68.05025	1.4
69.03417	3.4
69.07065	3.2
69.57845	2.1
69.58263	4.3
70.06594	80.3
72.08157	44.9
79.05483	2.1
80.05022	1.2
81.03403	1.5
81.07040	4.4
81.18264	1.1
82.06577	3.4
83.08588	1.9
84.08142	9.2
85.02883	3.3
86.06049	2.1
86.09713	27.3
87.04474	5.6
91.05460	3.1
93.07036	2.9
93.27776	1.1
94.06565	11.8
95.08585	3.6
95.63393	0.9
96.08130	17.4
97.02882	1.2
97.22469	1.1
98.06068	7.4
105.07042	1.2
106.06567	1.6
107.07359	1.3
107.08576	2.2
108.07422	1.8
108.08121	25.1
109.02872	0.9
110.09684	37.0
112.11224	2.0
114.08426	1.1
119.08577	1.8
120.08105	18.9
121.02872	5.5
121.08852	1.6
122.09660	11.1
127.03857	1.1
127.12317	24.5
130.08643	1.2
131.00177	1.8
132.08096	4.5
133.08858	3.0
133.10130	0.9
134.09624	6.4
135.11662	3.3
140.10730	5.2
157.13364	17.2
158.11775	21.0
162.12842	1.1
163.03844	1.7
166.08643	2.2
185.12843	6.4
190.15918	1.5
202.14395	5.5
203.03165	1.2
206.15445	6.1
212.16389	7.6
218.15450	7.6
224.16447	16.7
236.16425	12.9
238.18022	50.0
244.16945	4.4
246.14896	1.1
246.18562	2.9
262.15311	2.0
262.18030	31.4
262.20825	1.8
263.21252	2.7
264.19571	13.2
269.19839	4.1
279.20728	3.2
281.22247	100.0
282.22583	1.3
288.42297	1.0
294.08527	2.4
299.11057	1.1
322.08029	5.3
323.09167	7.1
324.61664	6.8
325.11862	1.6
332.20660	7.2
332.26920	3.5
333.25342	5.0
350.07404	30.7
350.19394	3.0
350.23489	3.5
350.27985	73.0
351.08575	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	350.269
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.03936	2.2
55.01867	1.3
55.05266	1.3
55.05516	17.7
56.05038	6.7
57.03432	0.9
57.07073	5.4
58.02965	8.8
58.06598	2.5
60.04518	2.1
63.90628	0.9
65.03955	2.1
67.05508	29.3
68.05013	1.8
68.86884	0.8
69.07072	20.5
69.23746	4.8
69.24177	3.6
70.06599	17.1
71.04981	1.2
71.08632	14.3
72.04525	1.7
72.08149	3.8
73.06587	0.9
79.05499	32.2
79.05963	1.7
79.42821	0.9
80.05020	3.9
81.03407	1.6
81.05788	2.8
81.07059	32.4
82.06583	17.1
83.08631	7.4
84.04491	6.1
84.08148	30.6
85.06552	2.4
85.10206	1.3
86.06108	1.5
86.09691	1.9
88.11275	34.7
88.11818	1.9
89.06017	2.1
91.05489	21.2
93.07044	21.8
94.06572	35.2
95.04983	4.8
95.07363	4.7
95.08609	26.3
95.09050	0.7
96.04488	0.9
96.08134	13.4
97.06531	2.8
97.10172	4.1
98.09690	1.4
98.20778	2.1
100.07651	1.1
103.05487	1.1
105.04556	1.2
105.07034	16.3
106.06565	2.4
107.04993	1.1
107.07376	1.2
107.08595	18.2
108.08121	4.1
109.06521	2.3
109.08909	1.5
109.10143	8.7
110.09666	5.9
111.08044	1.3
111.11701	0.9
112.07606	7.4
112.11262	2.2
114.09179	3.1
117.07012	4.0
119.08588	12.7
120.08112	2.4
121.06554	1.0
121.10151	9.4
122.09679	3.7
123.08080	3.7
123.11723	4.5
124.07608	1.4
124.11238	16.7
129.07065	1.3
131.08612	5.0
132.08113	1.4
133.10161	6.7
134.09622	2.3
135.11681	6.5
136.11237	7.3
137.09615	1.6
137.13295	1.2
143.08594	2.3
143.14903	0.9
145.10130	4.5
147.11696	5.4
148.11324	1.2
149.09671	1.1
149.13274	2.5
151.09662	3.6
151.11082	1.0
152.10712	6.4
152.14337	1.5
156.13789	0.9
159.11668	2.3
161.09557	1.0
161.13240	1.8
162.12761	2.5
162.82388	0.9
163.11197	1.5
163.14822	1.2
164.14380	9.2
168.13863	1.1
170.15392	1.8
171.11981	1.5
173.13269	2.6
179.14352	1.3
179.18021	1.2
180.13875	4.0
182.88997	1.0
184.17079	2.1
185.13307	1.1
191.84264	0.9
193.70589	1.0
198.18529	1.4
200.16400	0.9
206.15424	2.0
210.14978	0.9
212.16473	23.5
212.19922	1.5
218.15451	1.0
220.17026	5.8
232.17049	2.0
238.18050	3.5
240.15971	3.9
240.23116	1.1
245.22673	1.4
252.19626	16.5
254.24689	1.2
264.19559	1.9
280.19016	1.6
291.23108	1.4
292.22726	10.6
300.19727	2.1
301.21771	1.4
305.25317	1.0
318.24222	1.4
320.25647	1.1
332.25784	7.8
350.26974	100.0
350.33929	33.7
351.27374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09442	1.1
55.05510	7.7
56.05021	4.5
57.07074	7.0
60.04531	10.0
63.41341	1.1
65.03940	1.3
67.05180	1.3
67.05508	13.0
69.07072	10.1
70.69199	3.2
71.08625	5.7
79.05505	19.4
79.56839	1.2
81.07061	22.4
82.06593	2.6
83.04941	1.5
83.08609	4.5
84.08147	1.6
85.06550	1.2
85.10172	3.6
89.06033	11.2
91.05489	10.7
93.06478	2.1
93.07050	34.5
95.04959	2.4
95.08622	16.4
96.08156	1.9
97.06470	1.8
97.10125	1.3
98.09684	9.9
99.08109	1.3
105.04514	1.2
105.07026	6.8
107.08595	16.4
108.08134	1.3
109.10179	6.6
110.09696	1.4
110.26855	1.1
112.11263	1.6
117.06998	2.5
119.08588	15.3
121.10148	15.7
123.08052	2.0
123.11694	2.7
124.11243	7.9
127.05270	1.0
131.08560	3.4
133.08606	2.6
133.10162	6.3
135.11690	15.2
137.09584	1.3
140.10663	2.2
145.10144	6.5
147.11674	4.4
149.13263	6.8
151.09666	12.1
157.10188	2.0
159.11758	5.6
161.13283	1.6
163.14847	1.6
171.11858	1.3
173.13202	1.2
175.14885	1.6
177.12787	6.6
177.86552	1.1
179.14247	1.3
180.14629	1.5
187.15051	1.0
194.15367	2.6
201.33492	1.2
220.17065	1.3
226.18068	4.8
241.19453	2.1
252.19626	8.0
254.21089	2.5
259.20554	8.0
276.23206	2.2
277.21671	3.5
291.23199	11.6
308.25858	11.0
318.24295	4.3
327.46484	1.0
332.26251	1.4
333.30011	2.3
350.26929	100.0
351.27069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01870	0.7
55.05512	3.5
55.78796	0.4
57.07087	2.9
67.05505	4.0
69.07069	6.8
69.35362	1.0
69.35771	2.6
71.04990	1.0
71.08619	1.0
73.53144	0.5
79.05501	2.8
81.07058	7.7
82.98959	0.5
83.04977	0.7
83.08614	2.5
85.06544	1.9
85.95374	0.5
86.48550	0.5
87.68404	0.5
91.05474	1.0
93.07057	3.7
95.08609	5.2
95.24873	0.5
97.06544	1.4
97.10159	0.9
98.20763	0.7
99.08089	1.0
105.07048	1.5
107.08601	4.0
109.06523	14.0
109.10178	2.9
111.08078	1.1
117.06988	0.6
119.08592	2.1
121.06523	0.4
121.10156	2.7
122.07324	1.1
123.08073	49.5
123.11691	1.3
125.09642	0.8
126.44033	0.5
131.08583	0.5
133.10129	2.6
135.08066	3.6
135.11699	1.4
137.09610	2.3
137.13280	0.9
145.10123	0.9
147.11664	1.9
149.09650	0.8
149.13245	1.7
159.11752	1.0
161.13278	0.9
165.12727	1.0
171.79416	0.4
173.13243	0.5
177.12720	0.5
179.14319	50.2
193.15913	1.1
233.19026	0.7
275.19971	1.0
289.25266	1.1
293.21118	10.2
303.26950	0.5
307.22824	0.5
331.26392	2.6
349.27380	100.0
350.27756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2691
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.03956	1.9
53.04200	0.7
55.05520	5.4
56.05022	2.9
57.07081	4.4
58.06603	9.1
60.04531	11.2
65.03945	0.7
67.05170	1.3
67.05507	16.2
69.07069	7.1
70.06586	2.4
70.27797	3.0
71.08631	3.7
72.08162	2.1
74.83729	0.7
77.03933	0.9
79.05495	16.7
81.07060	24.1
82.06570	2.8
83.08631	3.6
84.08125	2.0
85.06540	1.0
85.10196	2.3
89.06028	6.6
91.05485	9.7
93.07050	24.0
94.06578	4.1
95.04967	1.3
95.08022	0.6
95.08607	16.8
96.08136	2.0
97.06548	2.0
97.10165	1.7
98.09683	3.0
99.47813	0.8
100.07648	1.0
105.07026	7.5
107.07073	0.8
107.08599	12.6
108.08172	1.1
109.06519	1.1
109.10147	6.1
110.09688	2.3
117.07043	2.3
119.08589	4.9
121.10162	9.4
122.09647	1.4
123.08089	1.3
123.11705	1.6
124.11235	2.1
129.07001	1.1
131.08583	3.1
133.08653	1.2
133.10121	4.0
135.11700	7.4
136.11197	1.0
137.09575	1.0
145.10118	1.8
147.11700	4.3
149.09651	1.5
149.13277	4.2
151.09669	12.3
154.12294	3.9
159.11736	1.8
163.11247	1.0
163.14867	1.6
164.14439	3.5
171.11882	1.1
173.13304	1.0
175.14757	1.3
177.12752	4.4
179.14253	1.3
181.43883	0.8
185.13239	0.8
185.65910	0.7
186.14899	1.6
194.15483	1.2
218.15425	1.1
226.18037	2.9
241.19571	0.8
249.40268	0.7
259.20551	2.2
268.19101	0.9
276.23300	2.1
287.55679	0.7
291.23245	4.3
292.22687	7.2
308.25870	11.5
318.24435	1.8
332.26050	0.9
350.26913	100.0
351.27185	0.8
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
51.45345	0.5
51.62454	0.4
55.05515	2.7
57.07063	1.6
57.22846	0.5
67.05495	3.3
69.07069	5.8
70.07527	2.1
71.04978	1.1
71.08623	1.3
79.05505	2.2
81.07061	5.5
83.08614	1.9
85.06538	1.3
86.09702	1.9
87.10016	0.7
91.05470	1.7
93.07070	2.6
95.04954	0.7
95.08614	5.5
96.51717	0.4
97.06541	1.0
97.10165	0.8
105.07011	2.4
107.08601	3.4
109.06531	10.6
109.10167	2.0
111.08063	0.8
119.08564	3.0
121.10149	3.1
123.08071	38.2
123.11713	1.0
125.09563	0.5
131.08640	0.6
133.10135	1.7
135.08090	3.1
135.11696	1.4
136.08958	0.5
137.09630	2.4
145.10150	0.9
147.11708	1.8
149.09665	0.6
149.13298	0.7
151.09647	0.6
153.91339	0.4
157.10187	0.4
159.11714	0.6
161.13187	0.8
165.12779	0.5
167.14371	0.6
177.12701	0.6
177.29712	0.4
179.14320	33.8
189.16478	0.5
193.15875	1.1
243.59430	0.5
275.20020	1.1
293.21112	8.1
307.22659	0.9
316.60535	0.5
331.26358	3.0
349.27393	100.0
349.32455	2.9
350.27597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01874	0.7
55.05295	0.5
55.05515	4.0
57.07063	1.4
64.19908	0.4
67.05238	0.4
67.05514	4.6
69.07072	6.9
69.55607	1.2
69.56044	1.4
70.71827	0.4
71.04976	1.1
71.08616	1.0
79.05502	2.7
81.07063	6.6
83.04964	0.5
83.08621	2.9
85.06537	1.0
91.05482	2.0
93.07044	3.6
95.08599	5.4
97.06520	1.3
97.10180	0.7
99.08077	0.7
105.07044	2.4
105.07668	0.4
107.08596	3.9
109.06522	9.5
109.10152	2.5
111.08080	1.7
119.08566	2.3
121.10171	2.8
122.07282	0.9
123.08070	49.2
123.11692	1.6
125.09648	0.5
131.08589	0.5
133.10132	1.9
135.08070	3.7
135.11690	1.3
136.08847	0.5
137.09601	3.6
137.13249	0.5
145.10104	0.7
147.11710	1.6
149.09659	0.6
149.13255	1.4
159.11717	0.9
161.13275	1.4
167.14328	0.6
175.14792	0.5
177.12695	0.6
179.14314	20.5
193.15987	0.6
233.19090	0.6
275.20120	1.2
289.25223	0.5
293.21103	11.8
307.22781	0.6
320.28635	0.4
331.26413	3.3
349.27374	100.0
350.27505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.45322	0.3
53.03957	0.4
55.05309	0.4
55.05516	4.3
56.16765	0.4
57.07064	1.0
67.05508	3.8
69.06722	0.5
69.07072	7.8
69.97320	1.8
71.04990	0.8
73.06549	0.5
77.51561	0.3
79.05499	2.7
81.07056	7.0
81.46992	0.3
83.05006	0.6
83.08623	2.8
83.81927	0.3
85.06557	0.5
91.05457	1.8
93.07041	3.6
93.22063	0.4
95.08606	5.5
96.09310	0.3
97.06521	1.2
97.10174	0.6
98.21446	0.4
104.07430	0.4
105.07045	1.8
107.08604	4.1
109.06522	8.3
109.10161	3.1
111.08083	1.9
117.07041	0.5
119.08594	3.3
121.10147	3.5
122.07349	0.4
123.08070	50.7
123.11720	1.4
131.08630	0.6
133.10185	1.9
135.08052	4.0
135.11678	1.5
137.09624	3.3
137.13289	0.7
139.11259	0.4
145.10092	1.1
147.11673	1.9
149.09644	1.3
149.13235	0.9
151.11227	0.4
153.55263	0.4
159.11717	1.7
161.13214	1.0
165.12750	0.7
167.14345	0.4
173.13283	0.6
179.14299	9.8
233.18930	0.9
275.20065	1.8
289.25436	0.8
293.21115	14.5
303.26752	0.7
307.22833	0.8
329.49100	0.4
331.26306	3.2
349.27380	100.0
350.27719	1.5
358.13388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05514	4.0
57.07079	3.5
67.05511	3.4
69.07069	6.3
71.04958	0.5
71.08624	1.8
71.30110	0.8
79.05498	2.9
81.07061	7.2
83.04953	0.8
83.08633	2.4
85.06539	1.7
91.05486	1.9
93.07042	4.1
95.04939	0.5
95.08614	7.6
97.06523	1.0
97.10136	1.1
99.08085	0.9
105.07037	1.8
107.08595	3.6
109.05784	0.9
109.06526	14.5
109.10164	2.8
111.08076	1.0
119.08591	3.0
121.10159	2.9
122.07264	2.1
123.08077	45.0
123.11703	1.4
128.54390	0.5
131.08525	0.8
133.10117	1.8
135.08049	4.0
135.11694	1.0
137.09608	2.2
137.13171	0.7
144.39438	0.5
145.10178	0.8
147.11703	1.9
149.13284	1.2
151.11133	0.6
159.11708	0.8
161.13240	0.8
165.12788	0.6
179.14320	55.3
191.14360	0.8
193.15886	1.8
199.14978	0.5
237.37451	0.5
275.20175	0.5
281.07153	0.5
289.25089	0.5
293.21106	8.4
331.26395	2.3
349.27380	100.0
350.27719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.05508	18.8
57.07079	7.1
65.03933	3.6
67.05504	32.2
69.07076	26.4
70.65617	3.2
71.04993	5.8
71.57766	3.7
77.91767	4.2
79.05490	28.7
81.07057	42.3
83.08638	6.2
91.05486	37.3
93.07047	68.9
95.04986	20.1
95.08610	44.3
97.06535	10.6
103.05442	3.6
105.07036	94.9
106.28038	3.5
107.08605	54.4
109.06544	20.6
109.10171	37.9
111.08099	4.8
115.05454	4.2
117.07024	13.3
119.08583	80.2
121.06506	6.1
121.10152	70.6
123.08069	50.6
123.11712	10.5
128.06253	4.6
129.07004	10.2
130.07770	5.1
131.08601	42.9
131.47829	3.8
133.10159	47.5
135.08134	17.6
135.11737	19.1
142.07788	12.5
143.08533	27.0
144.09354	4.4
145.10130	57.4
146.07310	5.7
147.08034	6.5
147.11678	16.3
149.09631	11.9
155.08586	9.6
156.09393	10.0
157.10126	31.2
158.10968	5.0
159.08090	4.8
159.11702	27.4
161.09663	23.6
161.13326	11.5
163.11218	5.1
167.12000	4.1
169.10144	16.0
171.11713	19.2
172.12502	3.8
173.09735	4.4
173.13232	14.4
175.11189	8.0
175.14841	10.9
179.08641	4.5
179.14328	47.2
181.10117	6.0
182.10895	5.0
183.11705	15.8
185.13280	12.4
187.14835	25.1
193.10196	5.1
195.11745	9.9
196.12524	6.1
197.13342	12.2
199.14838	7.9
202.64360	3.9
204.51115	4.5
209.13304	16.0
211.14851	10.8
225.16393	5.4
227.14377	8.1
239.17953	5.7
253.19566	7.7
255.17424	5.8
265.19742	3.7
266.20294	3.8
274.82092	3.6
293.21271	7.4
331.24142	5.1
349.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.05508	18.8
57.07065	9.6
59.17598	4.0
67.05515	37.3
67.48466	3.5
69.03387	4.2
69.07069	28.1
70.69778	4.2
71.04985	7.3
71.08628	3.7
79.05489	37.2
81.07061	56.8
83.08635	9.6
91.05484	53.1
93.07059	65.0
95.05003	25.1
95.08607	58.9
97.06525	15.2
105.07026	100.0
107.08592	64.6
109.06514	16.3
109.10159	46.7
115.05447	7.3
117.07075	19.1
119.07803	6.9
119.08588	95.7
121.06498	6.5
121.10146	94.6
123.04316	3.6
123.08072	34.7
123.11710	16.0
128.06215	12.4
129.07018	17.9
130.07799	9.7
131.08575	43.9
133.10139	45.9
135.08037	14.6
135.11670	25.4
135.38733	4.1
137.09593	4.4
141.06924	3.9
142.07750	16.4
143.08553	34.3
144.09386	7.1
145.10124	55.7
146.07246	4.7
147.08023	7.4
147.11719	24.6
149.09625	12.8
155.08578	18.1
156.09315	13.7
157.10129	46.7
159.08064	5.1
159.11679	30.5
161.09662	21.6
161.13211	8.8
167.08519	4.0
168.09328	5.6
169.10127	20.7
170.10887	6.4
171.11708	26.1
173.09624	5.6
173.13283	21.9
175.11159	7.4
175.14830	11.5
179.08620	10.2
179.14305	26.9
181.10139	9.7
183.11685	15.3
184.12396	5.5
185.13242	15.1
187.14757	18.7
189.12817	4.0
194.10918	10.3
195.11668	15.1
196.12498	4.6
197.13269	12.9
199.14804	12.5
209.13222	20.3
211.14821	10.4
213.16347	6.0
223.14780	10.4
225.16376	5.3
227.14288	11.5
237.16400	5.5
239.18042	6.7
244.17195	4.1
253.19591	6.1
255.17465	5.4
265.19580	5.5
293.18814	7.4
331.23804	5.3
349.25055	35.6
349.27328	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01878	5.5
55.05518	14.9
56.96567	56.0
57.03199	1.0
57.03445	16.2
57.07066	2.4
60.11841	0.9
60.88358	1.2
65.03947	1.8
66.99122	1.0
67.05174	1.7
67.05507	30.4
69.03419	2.5
69.07072	17.6
69.65501	2.5
69.65915	4.7
70.98100	1.4
71.04974	1.6
71.12986	1.0
71.95265	10.1
72.96048	2.8
74.41434	0.9
79.05060	2.0
79.05497	26.6
81.03414	2.6
81.06585	2.3
81.07059	34.6
83.04988	7.1
83.08601	4.9
84.96030	3.4
85.06560	1.0
87.91134	1.2
91.04963	1.9
91.05483	23.1
91.06024	2.4
93.07049	33.7
95.04969	11.4
95.08609	20.3
97.06526	4.9
97.10152	1.5
97.96790	2.6
98.97581	2.4
103.00618	1.1
105.00191	1.5
105.07030	28.2
107.04960	10.1
107.08604	21.2
107.55194	1.1
109.06524	11.6
109.10175	10.1
110.97556	7.3
111.08078	2.1
114.34229	1.1
115.00737	1.5
116.98612	1.2
117.07028	11.0
119.01746	1.1
119.08593	18.0
119.99594	1.2
121.06499	9.9
121.10149	9.4
123.08081	5.3
123.11717	3.3
127.00701	1.5
128.98634	6.2
129.07007	1.8
131.00153	1.1
131.08580	19.8
133.01704	1.5
133.06514	2.3
133.10123	21.0
135.08069	6.1
135.11732	6.1
137.02747	3.0
137.09637	3.1
139.00655	2.7
141.06984	1.7
142.07780	1.7
143.08580	2.6
145.06554	1.3
145.10141	15.4
146.99596	1.7
147.08054	4.8
147.11673	11.9
149.09633	7.5
149.13243	3.4
151.00632	1.2
151.04300	1.7
151.11198	6.9
153.02264	2.3
155.03778	3.1
155.08508	2.5
157.10144	4.4
159.08051	2.0
159.11664	6.9
161.09668	5.3
161.13286	3.9
163.11214	6.1
163.14723	1.2
165.12709	2.4
167.03812	1.9
169.01703	1.4
169.05373	1.5
169.10129	1.9
171.03337	4.0
171.11763	3.0
173.04872	3.1
173.09653	3.8
173.13292	7.4
175.11160	3.0
177.09175	1.2
177.12766	3.2
179.14311	1.6
181.05322	6.3
183.06926	2.7
183.11740	3.1
185.04904	7.6
185.13342	1.6
187.11165	2.2
187.14810	1.5
189.04405	1.9
191.14333	3.3
193.05417	1.9
195.06970	4.5
197.04930	1.9
197.13290	2.4
199.06427	21.5
201.07994	4.8
201.12770	3.3
203.05977	2.7
207.13853	2.7
211.06393	12.0
213.07988	47.4
215.14333	1.3
215.17944	2.5
217.07524	12.9
219.09085	2.1
219.13840	4.7
222.08052	1.4
223.06415	1.6
225.08014	5.7
227.09598	3.2
229.07492	72.4
229.19559	3.5
230.07925	1.6
231.09044	31.5
233.19164	1.6
236.09555	2.5
237.07887	1.5
239.09596	1.4
239.17934	4.5
243.09058	22.9
245.10606	1.4
247.08549	33.3
247.20593	3.0
251.09521	2.1
252.09041	7.3
253.11017	1.5
254.10602	1.4
255.09058	3.6
257.19022	15.8
261.10138	10.2
266.10651	1.7
267.09061	3.6
267.12714	1.3
269.10626	7.4
270.10184	1.4
273.10342	1.2
275.20071	93.9
276.20419	1.6
285.10147	4.7
287.11838	2.4
293.21140	7.6
295.12012	1.4
313.14789	2.1
331.15781	18.4
349.16925	100.0
349.23596	50.9
350.17041	2.5
350.23947	1.5
367.17905	21.5
372.18423	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.2
53.03946	18.9
55.01877	20.2
55.05264	2.0
55.05510	28.0
56.96552	1.8
57.03191	1.6
57.03442	20.1
57.07076	2.6
65.03960	2.2
67.05508	71.8
69.03417	2.6
69.07071	67.1
71.04974	4.4
72.40150	1.4
77.03944	2.3
79.05496	62.0
81.03420	33.6
81.07062	100.0
83.04984	14.8
83.08234	1.2
83.08640	11.6
85.06538	5.3
91.05482	75.0
93.07049	61.3
95.01334	26.5
95.04980	19.5
95.08614	54.6
97.06535	30.7
97.10158	4.5
99.08080	2.6
103.05490	3.2
105.04497	1.6
105.07037	91.6
107.04960	43.4
107.08604	28.1
109.06517	13.6
109.10144	10.2
111.08083	5.8
115.05476	2.0
117.07024	27.1
119.04939	1.7
119.08588	50.3
121.06488	7.0
121.10144	14.0
123.04438	3.5
123.08091	11.7
123.11680	2.8
125.09620	3.5
125.82928	1.6
127.07569	1.6
129.07001	5.1
130.07813	1.6
131.08574	38.3
133.06476	2.4
133.10139	62.8
135.08029	7.7
135.11694	14.4
137.09608	4.1
139.07495	3.6
141.06989	5.4
143.08554	6.2
145.06477	8.0
145.10129	25.9
147.07996	3.1
147.11697	27.5
149.09657	7.8
149.13309	10.4
151.11121	3.5
155.08530	2.2
157.10150	6.7
159.08069	2.5
159.11710	25.5
161.09552	1.9
161.13269	8.6
163.11267	7.6
163.12398	1.3
165.09128	4.0
165.12805	1.6
169.10097	5.8
171.11693	5.5
173.09538	1.6
173.13257	5.8
175.11224	1.7
175.14841	2.2
177.12769	13.0
179.14346	30.8
183.11687	4.7
185.13319	1.5
187.11197	11.0
195.13792	2.4
197.13268	4.0
201.12883	1.4
202.28094	1.5
205.12259	3.8
211.14810	2.1
219.13817	2.0
223.13283	4.5
229.19478	3.9
233.15358	2.1
239.17989	4.6
241.14401	2.2
247.20610	5.0
257.18988	13.0
275.20071	96.9
276.20276	1.9
293.21082	2.2
343.10330	1.5
349.16034	2.6
349.19815	18.5
349.23746	69.6
350.24188	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	20.5
55.01873	16.2
55.05522	24.1
57.03438	24.3
62.75999	2.1
65.03949	2.8
66.21963	2.1
67.05507	77.6
69.06733	4.1
69.07073	68.8
69.98675	6.1
70.10551	2.5
71.04964	3.1
76.22478	2.3
79.05067	3.8
79.05496	59.3
81.02989	3.2
81.03425	36.8
81.07059	97.6
83.04980	12.8
83.08607	9.2
87.18185	2.3
91.05484	76.4
93.06484	4.5
93.07048	81.8
95.01321	24.6
95.04981	22.0
95.08607	54.9
97.06541	32.4
97.10151	5.2
98.20748	4.7
103.05490	2.4
105.07037	99.1
107.04971	40.1
107.08596	24.5
109.06512	8.4
109.10160	14.5
111.08059	4.1
113.09675	2.5
117.07014	28.5
119.08582	56.7
121.06496	7.3
121.10124	12.8
123.04443	6.5
123.08056	13.2
123.11678	3.9
125.09645	5.3
129.06984	5.3
131.08572	37.2
133.06503	2.7
133.10133	61.4
135.08031	7.0
135.11717	17.3
139.07533	3.6
141.06955	3.3
143.08582	5.6
145.06482	9.6
145.10127	29.8
147.11684	34.3
149.09610	9.7
149.13231	11.0
155.08553	3.8
157.10155	5.3
159.08131	3.7
159.11690	26.4
161.13271	10.6
163.11148	7.4
165.09073	3.1
169.10150	5.9
171.11678	5.9
173.13251	6.7
177.12787	11.5
179.14346	32.0
183.11678	3.9
187.11238	11.2
191.14088	2.5
223.13264	2.8
243.08894	2.7
247.20386	3.6
257.19067	13.6
275.20078	100.0
293.21140	3.5
331.15750	10.9
332.16821	2.4
349.17056	12.3
349.23724	76.1
361.11508	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90352	1.7
52.15833	1.8
53.03933	9.3
55.01628	2.5
55.01874	30.2
55.05513	52.8
56.96555	4.2
57.03443	18.9
59.71043	1.7
61.63944	1.8
65.03934	4.5
67.05507	64.3
69.03426	5.5
69.06725	2.6
69.07072	37.3
69.19954	21.7
71.04982	4.3
77.03899	2.2
78.43687	2.0
79.05498	100.0
81.03435	11.2
81.07057	67.3
81.78144	1.9
83.04985	27.5
83.08621	18.4
91.01719	2.1
91.05486	57.0
91.56158	1.9
93.07045	69.3
95.01304	5.7
95.04959	15.2
95.08614	38.3
97.06537	39.3
97.10164	16.5
105.04552	3.3
105.07035	63.4
106.24468	1.7
107.04285	3.0
107.04961	36.8
107.08597	58.2
109.06501	6.3
109.10155	22.6
111.08084	5.0
117.07028	20.6
118.97994	2.3
119.08582	37.9
121.06504	4.8
121.10141	17.0
123.08067	7.1
123.11689	7.4
125.09634	16.2
129.07010	5.5
131.08583	24.3
133.10127	35.6
135.08073	6.0
135.11690	9.9
143.08563	5.0
145.06425	3.2
145.10139	18.3
145.11804	2.0
147.11693	18.7
147.68359	1.9
149.09636	47.0
149.13242	5.0
151.11108	2.4
153.09114	3.0
155.08621	2.3
157.10164	4.2
159.11697	13.7
161.09782	1.9
161.13264	7.1
163.11197	8.6
163.14825	5.2
169.10184	2.9
169.12292	3.1
171.10240	2.3
171.11778	2.4
173.11847	3.5
173.13290	7.0
177.12756	4.4
179.14351	15.3
183.11752	4.8
187.11183	5.4
187.14737	2.3
189.11180	9.1
191.14233	3.8
197.13170	4.1
201.12788	3.8
205.12164	2.4
209.15385	6.4
215.18060	2.2
223.13266	3.2
229.19577	7.7
239.17859	3.3
247.20575	5.7
257.18994	11.0
273.18542	2.6
275.20071	78.9
291.19498	3.0
293.20963	2.6
308.22372	3.0
331.15796	3.4
349.12973	5.4
349.16736	4.8
349.20139	5.3
349.23724	72.0
349.27197	4.0
349.63651	1.9
350.23129	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.9
55.01871	26.4
55.05514	57.7
55.82141	2.4
56.96554	4.5
57.03444	23.2
59.05000	2.5
67.05173	4.4
67.05509	64.2
69.03413	4.0
69.07071	32.1
69.24791	6.1
69.25211	15.4
71.04990	7.0
79.05497	100.0
81.03404	12.4
81.07059	61.1
83.04990	28.0
83.08620	13.2
85.06561	2.7
91.04969	4.1
91.05487	56.6
93.07050	67.0
95.01334	4.7
95.04972	17.0
95.08611	32.5
97.06534	33.8
97.10176	14.5
103.05492	2.4
105.04529	2.4
105.07034	51.3
105.19063	2.2
107.04961	38.3
107.08601	65.0
109.06539	8.9
109.10181	22.7
111.08072	6.5
117.07001	23.5
119.08586	41.3
121.06516	5.6
121.10136	26.1
123.08082	7.1
123.11700	6.8
125.09648	15.4
129.06960	4.6
131.08591	24.0
133.10130	32.9
135.08080	9.2
135.11710	13.6
135.18845	2.0
137.09595	4.2
139.07556	2.1
143.08493	2.8
145.10149	20.0
147.08080	2.1
147.11707	21.7
149.09624	48.8
149.13257	7.9
155.10719	3.7
157.10115	4.1
159.11687	13.1
161.13258	5.6
163.11174	4.3
163.14815	2.4
169.10083	4.3
169.12241	4.7
171.10184	4.3
171.11670	3.1
173.11755	5.9
173.13284	6.4
175.11182	3.4
177.12822	6.2
179.14349	12.2
183.11684	3.5
187.11176	4.8
189.11234	8.3
191.14302	3.2
197.13309	3.7
199.06427	3.0
209.15422	8.6
229.19653	4.2
239.17963	5.3
247.20686	4.3
254.32701	2.3
257.19006	11.2
275.20078	69.4
285.16235	2.5
290.21002	2.5
291.19559	4.8
331.16077	4.6
349.13293	4.3
349.16788	7.5
349.19916	4.1
349.23730	70.1
350.23465	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.6
55.01880	18.3
55.05510	38.9
56.96568	26.9
57.03428	19.7
57.07062	3.2
58.62118	2.5
65.03916	4.5
67.05507	72.6
69.03407	4.1
69.06722	3.5
69.07067	44.0
71.01262	5.0
71.04992	4.9
71.95236	3.1
79.05492	92.7
81.03422	15.9
81.06596	3.7
81.07060	73.9
83.04975	23.9
83.08608	15.2
84.96000	3.5
85.06544	4.7
91.05483	67.9
93.07047	73.6
95.01308	10.5
95.04976	16.5
95.08614	43.0
97.06540	22.7
97.10151	8.3
103.05430	4.4
105.04520	2.7
105.07038	73.3
107.04960	37.8
107.08602	50.6
108.14521	3.1
109.06504	10.1
109.10178	27.4
110.97549	5.9
111.08047	4.5
115.05470	3.1
117.07007	22.5
119.08582	48.7
121.06470	5.3
121.10157	25.0
123.04415	3.2
123.08063	9.7
123.11692	5.3
125.09607	10.0
127.07523	2.8
128.98581	7.2
129.06970	6.3
130.07736	3.5
131.08589	28.1
133.06453	2.9
133.10126	45.6
135.08035	8.6
135.11665	13.1
137.09633	4.8
141.06972	3.3
143.00177	2.7
143.08531	4.9
145.06548	3.0
145.10106	25.3
147.11687	24.1
149.09616	32.9
149.13200	7.7
151.11269	2.7
155.08543	3.5
157.10080	4.6
159.11719	24.5
160.03957	3.5
161.09689	2.7
161.13263	12.7
163.11159	7.1
163.14821	3.5
163.22917	2.6
169.12201	3.0
171.03253	4.9
171.11674	4.1
173.11859	3.5
173.13248	9.3
177.12749	4.2
179.14259	17.4
183.11667	6.5
185.04933	3.4
187.11154	4.2
189.11125	4.8
189.12714	3.1
195.06989	2.9
195.13556	3.0
197.13205	3.2
199.06366	5.7
213.08037	5.0
229.07486	6.2
229.19406	4.2
231.09158	4.6
239.17918	5.4
243.08998	7.2
247.20593	4.3
255.09013	4.6
257.18967	14.7
261.09930	5.0
275.20081	76.1
276.20612	2.8
297.10092	3.8
331.15753	53.0
349.16763	100.0
349.23566	82.8
349.27020	3.4
367.17914	40.3
372.18466	8.0
373.76141	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03904	1.1
53.03936	2.5
53.17498	1.1
53.37104	1.1
55.01870	9.2
55.05508	18.3
57.03440	9.4
57.07074	1.9
65.03930	2.0
67.05173	1.9
67.05508	27.7
69.03418	2.4
69.07068	22.9
70.81903	1.7
70.82233	2.6
71.04995	2.1
77.03860	1.3
79.05496	40.3
81.03401	2.7
81.07059	28.2
83.04974	3.2
83.08608	6.1
91.05476	28.2
93.07045	24.8
94.47603	1.2
95.01326	1.6
95.04968	6.0
95.08599	19.4
97.06531	9.7
97.10165	5.2
105.07035	35.8
107.04958	9.7
107.08593	36.0
109.06516	4.1
109.10151	8.4
111.08080	2.2
112.46413	1.1
115.05380	1.2
117.07016	10.9
119.08572	18.8
119.09364	2.0
121.06478	3.5
121.10148	10.8
123.08061	2.9
123.11714	1.5
125.09637	7.6
128.06299	1.3
129.07051	2.9
131.08566	16.3
133.10120	22.8
135.08035	2.8
135.11694	4.8
143.08565	5.2
145.06546	1.2
145.10121	34.1
147.11688	17.4
149.09607	13.5
149.13292	2.7
151.11179	1.2
155.08434	1.6
157.10123	5.0
159.11678	12.0
161.13290	4.8
163.11151	4.9
169.10092	2.5
171.11714	4.3
173.13248	4.2
175.11241	1.8
176.08133	1.2
177.12727	2.4
179.14322	3.2
183.11758	5.8
185.13232	1.9
187.11226	1.7
187.14793	2.0
189.11237	4.2
189.12767	1.3
197.13304	3.3
215.14340	1.3
215.18025	1.5
229.19554	4.1
239.17903	9.1
241.01248	1.4
247.20753	1.7
257.18976	23.6
275.20059	37.7
331.22583	3.6
349.19791	100.0
349.23792	49.7
350.20215	1.9
350.24118	2.0
367.00943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03933	3.7
55.01870	6.7
55.05268	1.6
55.05512	18.0
56.96551	4.1
57.03186	1.7
57.03440	22.2
64.01400	1.3
65.03940	2.7
67.05506	35.3
69.06737	1.4
69.07072	18.3
71.04980	2.8
79.05492	44.5
81.03426	1.7
81.07063	39.6
83.04977	4.0
83.08630	9.1
85.02914	1.4
85.06514	4.5
91.05485	47.3
93.06474	2.1
93.07046	39.4
95.01326	2.2
95.04976	7.2
95.08048	2.0
95.08612	23.4
97.06534	9.4
97.10181	6.2
98.21510	3.1
103.05489	1.9
105.07035	58.6
106.07341	1.4
107.04958	7.0
107.08603	35.6
109.06519	6.2
109.10155	13.3
111.08084	3.2
113.09638	1.8
115.05438	2.2
117.07031	21.3
119.07801	2.7
119.08587	38.2
121.06490	2.8
121.10148	12.8
123.08096	2.5
123.11703	2.8
125.09637	4.6
128.06216	1.6
129.07014	7.9
130.07784	2.2
131.08577	26.7
133.10127	31.5
135.08037	4.6
135.11644	6.2
137.09616	2.3
141.07018	3.7
143.08574	10.1
143.10683	1.5
145.10133	60.5
147.04398	2.5
147.11685	28.0
149.09627	11.5
149.13232	3.8
151.11157	2.1
153.12791	1.5
155.08585	3.8
157.10152	10.7
159.11705	33.7
161.09631	3.5
161.13255	9.1
163.11165	5.9
169.10141	5.4
171.11722	11.8
173.13268	13.3
175.11238	2.5
175.14780	3.7
177.12758	3.0
177.57491	1.3
179.14233	1.9
183.11670	8.0
185.13260	14.1
187.11116	1.9
187.14816	1.9
189.11186	1.9
191.14449	1.6
197.13287	5.7
199.14781	1.8
201.16409	2.4
203.14417	6.4
211.14880	3.5
215.14272	1.4
215.17928	2.1
219.17415	8.1
221.15434	2.8
229.19551	4.8
233.15421	1.6
239.17973	17.7
241.11082	11.4
247.20526	1.9
257.19009	48.9
259.12183	5.5
267.08981	4.0
275.20093	44.1
277.18018	2.4
285.10156	10.5
303.11142	6.0
326.78497	1.3
331.16016	1.5
331.22574	5.1
349.19843	10.3
349.23709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.22968	1.9
53.00296	1.9
53.03952	7.4
55.01881	18.1
55.05515	42.8
56.96566	2.3
57.03441	21.0
57.07048	2.8
60.04507	3.0
65.03920	4.3
67.05511	53.3
69.03438	7.3
69.07073	43.9
70.06603	3.8
71.04985	7.7
71.57090	2.2
73.02944	2.6
79.05500	95.6
81.03423	7.3
81.07066	90.0
82.06574	2.3
83.04990	8.2
83.08628	17.7
85.02904	4.8
85.06551	4.4
91.05492	64.8
93.07050	51.7
95.04964	10.7
95.08608	34.5
97.02895	2.3
97.06534	21.2
97.10188	11.8
98.09750	3.2
99.08129	2.1
100.11266	9.3
105.04504	2.7
105.07042	70.7
107.04958	28.5
107.07867	4.4
107.08601	82.9
109.02906	3.3
109.06538	25.9
109.10174	18.5
111.04434	2.1
111.08105	5.0
115.05490	2.2
116.10745	2.4
117.07021	22.9
117.22417	2.0
119.08591	47.5
120.08121	3.7
121.06527	6.8
121.10151	23.5
123.08069	5.2
123.11736	5.3
125.09650	13.4
128.06218	2.8
128.07121	3.2
129.07040	7.9
130.07809	3.6
131.08577	34.3
133.10141	42.9
135.08104	12.9
135.11714	11.3
136.06206	10.5
136.07549	2.9
137.06583	3.4
137.09621	3.8
139.11163	2.4
141.06979	2.8
142.07777	2.9
143.08604	7.9
145.10136	77.2
147.04422	7.5
147.08046	2.7
147.11687	37.1
149.09621	29.1
149.13310	7.4
151.11234	4.0
155.08508	2.7
157.10139	10.0
159.11690	23.6
161.09659	4.0
161.13303	6.1
163.11220	12.6
163.14882	3.0
165.12801	2.5
168.74730	2.1
169.10219	7.0
171.10341	4.0
171.11736	13.4
173.13239	10.2
174.09166	4.9
177.12746	3.5
179.14334	5.1
181.12323	2.5
182.15425	3.3
183.11731	5.7
185.13293	4.1
187.11255	4.9
189.11295	9.7
193.12251	3.5
197.13333	5.8
209.16556	2.3
210.14960	3.5
226.65987	2.1
229.05228	2.3
229.19641	5.6
239.17931	20.2
247.20708	3.9
257.19034	57.3
257.21542	3.5
260.86194	2.1
275.20090	84.9
276.21100	2.7
284.76581	2.0
287.20502	5.7
327.26456	4.3
331.19394	3.2
331.22974	6.4
349.23883	100.0
350.23618	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03943	3.8
55.01878	12.1
55.05504	17.5
57.03439	38.3
59.52091	1.4
61.30544	1.6
65.03928	2.6
67.05178	3.0
67.05507	38.6
69.03404	3.2
69.07071	19.2
69.29343	9.0
69.29768	6.0
71.04980	3.6
79.05492	48.2
81.03396	3.1
81.07059	43.6
83.04965	4.9
83.08626	10.3
85.06527	7.3
87.94527	1.9
91.05485	61.6
93.06475	3.4
93.07044	53.0
93.68651	1.6
95.04957	7.8
95.08611	34.8
97.06526	17.3
97.10184	3.8
103.05479	1.7
105.07037	65.6
106.82195	1.7
107.04928	7.1
107.08591	33.6
109.06505	7.6
109.10162	7.9
111.08075	4.1
115.05448	2.8
117.07026	28.5
119.08585	51.9
119.86162	1.5
121.06463	3.4
121.10158	15.0
123.08041	5.8
123.23996	1.6
125.09660	3.7
129.07010	11.9
131.08566	37.1
133.10135	34.7
135.08025	5.2
135.11681	7.8
137.09630	3.7
141.06952	3.3
143.01880	2.4
143.08539	14.1
145.10132	41.2
147.08041	3.1
147.11697	24.7
149.09610	9.7
149.13187	1.6
151.11244	1.9
155.08577	3.8
157.10133	12.2
159.11690	49.4
161.09572	3.1
161.13255	15.1
163.11163	5.7
169.10117	6.3
171.11684	7.9
173.13255	15.1
175.11214	3.5
175.14824	5.8
177.12740	2.1
179.14281	2.7
183.11684	7.2
185.13251	19.0
187.11179	1.8
187.14688	2.3
188.45155	1.8
197.13258	6.7
201.16327	2.5
203.14337	10.3
215.17853	2.8
219.17427	15.8
229.19481	4.7
239.17946	17.2
247.20605	2.2
257.19022	36.2
275.20056	56.1
277.18100	4.3
283.84488	2.0
331.22760	6.6
349.19791	13.8
349.23700	100.0
367.17722	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
57.97587	0.4
66.07388	0.4
69.07066	0.7
71.21548	0.9
72.91203	0.4
75.09399	0.4
79.05482	0.9
81.07038	1.2
87.11170	0.5
91.05463	0.8
93.07034	0.9
95.08598	0.8
105.07009	1.2
107.08614	0.6
119.08596	0.8
121.10143	0.5
123.08063	1.1
131.08562	0.8
133.10124	1.0
135.08018	0.6
145.10016	0.5
147.02998	0.4
147.11697	0.8
179.14351	2.1
289.21707	1.0
293.21057	0.5
349.23499	100.0
349.26889	3.7
350.23874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28513	0.4
57.49319	0.4
69.92014	2.1
119.08549	0.4
129.89653	0.5
179.14304	0.5
187.07498	0.7
215.86577	0.4
217.63852	0.4
227.49045	0.4
249.14406	0.5
258.65039	0.4
328.98758	0.4
349.23508	100.0
350.23865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16727	0.4
65.63297	0.5
66.94397	0.4
67.05498	0.5
70.81057	0.7
70.81429	0.9
76.70142	0.5
81.07056	0.5
105.07044	0.6
114.54156	0.5
119.08607	0.5
123.08038	0.6
127.37615	0.4
179.14409	0.6
221.17027	0.4
235.12994	0.7
249.14470	0.7
349.23511	100.0
350.23740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01861	0.5
55.05501	1.4
56.96564	0.6
57.03431	1.2
57.31461	0.4
57.73117	0.4
58.24720	0.4
67.05508	3.9
69.03414	0.7
69.07080	2.2
69.32025	4.1
71.04991	0.6
74.58821	0.5
75.28449	0.4
76.62095	0.6
79.05486	4.9
81.07053	5.3
83.04982	0.8
83.08608	1.2
91.05485	3.7
93.07041	5.0
95.04942	1.1
95.08614	2.5
97.06533	1.0
97.10191	0.5
98.20703	0.8
98.97548	0.4
104.70799	0.4
105.07026	4.2
107.08589	4.0
109.06541	0.5
109.10152	0.9
117.07013	1.5
119.08572	3.6
119.81935	0.4
121.10148	1.3
129.07008	0.6
131.08569	2.4
133.03442	0.7
133.10162	2.3
135.11662	1.1
137.05733	2.7
141.78851	0.4
143.01846	0.7
143.08649	0.7
145.10146	3.2
147.11679	1.6
149.09627	0.5
157.10143	0.7
159.11707	1.4
161.02966	0.9
161.13235	0.6
163.11159	0.6
173.02983	0.5
173.13226	0.9
183.11600	0.6
185.13150	0.6
189.11224	0.5
221.11452	0.6
229.19566	0.8
235.13065	1.4
239.18086	0.7
240.12816	0.5
253.12958	0.7
257.18976	1.5
275.20099	3.0
277.21698	0.7
349.19870	100.0
349.23602	6.8
350.20029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01875	1.0
55.05510	3.0
57.03435	2.0
67.05508	6.3
69.07061	3.2
70.95773	1.2
76.07420	0.6
79.05492	6.6
81.07059	6.6
83.04984	1.2
83.08625	1.1
91.05476	5.9
93.07044	5.4
95.04965	1.4
95.08610	3.0
97.06538	1.0
97.10193	0.6
99.32021	0.5
105.07033	5.5
107.04995	0.7
107.08566	3.7
109.06532	0.7
109.10162	1.3
117.07020	2.5
119.08582	4.5
121.06524	0.9
121.10139	1.8
123.08060	0.6
125.09681	0.7
131.08542	3.5
133.10136	3.8
135.11690	0.8
143.08521	0.8
145.10146	4.8
145.37292	0.6
147.11717	2.9
149.09612	1.1
157.06491	0.5
157.10120	1.5
159.11720	2.7
161.13309	0.9
163.11183	0.8
171.11729	1.0
173.13275	1.2
173.31586	0.5
173.83156	0.6
229.19478	0.6
239.17937	1.0
257.19049	4.2
275.20081	7.8
279.12018	0.7
349.19901	100.0
349.23801	12.3
350.20331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05511	3.8
57.03434	3.0
65.03934	0.5
67.05507	7.4
69.07072	4.7
71.05006	0.7
77.27595	0.5
79.05495	7.6
81.07062	10.4
83.04973	0.7
83.08609	1.4
91.05485	7.9
93.07050	7.2
95.04996	0.9
95.08585	4.6
97.06516	2.6
97.10181	1.4
105.07034	9.0
107.04966	1.8
107.08600	4.1
109.06523	1.1
109.10165	2.7
117.07015	3.4
119.08590	6.7
121.06522	0.6
121.10152	3.7
123.08038	0.6
123.11684	0.6
125.09583	0.8
129.07080	0.7
131.08569	5.4
133.10129	6.3
135.08066	0.9
135.11728	2.2
135.12750	0.5
137.05760	1.0
143.08562	1.5
145.10153	6.8
147.11702	4.2
149.09644	2.0
157.10135	1.2
159.11702	5.1
161.13297	1.4
163.11223	1.0
169.10141	0.9
171.11723	1.7
173.13290	2.1
179.14351	1.1
183.11682	1.6
185.13348	0.9
187.14799	0.8
197.13272	0.8
201.16351	0.5
229.19650	0.6
239.18018	1.8
250.73206	0.6
253.12871	1.0
257.18997	5.0
261.14676	1.7
275.20078	7.2
275.22821	0.8
280.12881	1.5
331.22470	0.6
349.19907	100.0
349.23834	16.6
350.20139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01853	2.2
55.05513	4.9
57.03429	2.2
67.05504	8.6
69.07064	6.2
69.82757	3.2
79.05492	11.6
79.15580	0.5
81.03361	1.0
81.07055	9.3
83.04964	0.9
83.08608	2.2
91.05482	9.1
93.07043	7.9
95.04961	1.7
95.08614	4.7
97.06524	2.5
97.10168	1.2
103.05487	0.6
105.07028	11.8
107.04949	2.0
107.08602	9.9
109.06519	1.9
109.10143	3.1
111.08101	0.7
117.06997	4.2
119.08573	6.6
121.10165	2.8
123.11693	1.0
125.09649	1.7
129.07011	1.3
131.08554	5.2
133.10132	6.6
135.08054	1.1
135.11723	2.3
141.06915	0.5
143.08557	1.1
145.10132	7.8
147.04445	0.7
147.11667	3.6
149.09598	2.7
155.08534	1.0
157.10168	1.0
159.11694	5.1
161.13277	2.0
163.11223	1.8
169.10144	1.1
171.11722	2.1
173.13293	1.8
177.12776	0.9
179.14264	1.2
183.11699	1.5
185.13264	0.7
187.11331	0.8
189.11284	1.2
197.13344	0.9
207.41829	0.6
226.33769	0.6
229.19461	1.0
239.18018	2.3
240.92628	0.7
243.64209	0.6
257.19031	6.1
261.62714	0.6
275.20065	11.4
331.22620	0.8
349.19904	100.0
349.23856	17.6
350.20239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1779
Annotation	Imidocarb
Peak:m/z	Relative Intensity
50.25026	0.9
53.03956	1.0
55.01867	2.0
55.05504	3.6
56.96569	35.7
57.03421	4.1
67.05504	11.2
67.66132	0.9
69.03437	1.0
69.06794	1.0
69.07079	11.2
71.57025	1.3
71.95254	3.9
72.96055	2.0
74.97616	1.0
76.65123	0.9
79.05067	1.2
79.05495	12.4
81.03403	2.4
81.07064	19.4
83.05003	1.6
83.08608	1.7
84.96021	3.1
91.05484	8.4
92.05796	0.9
93.07040	8.5
95.04962	2.8
95.08605	8.0
97.06507	3.4
97.96780	1.7
98.97598	2.3
105.00155	1.0
105.07047	8.5
107.04916	1.6
107.08614	6.8
109.06528	7.4
109.10165	3.1
110.97577	12.5
116.65712	0.9
116.98564	2.0
117.07004	2.7
119.08598	7.0
121.10130	2.9
123.01154	1.5
123.08087	1.8
128.98624	10.1
129.07019	1.6
131.08568	4.5
133.10185	6.2
135.08093	1.6
135.11711	1.2
136.89195	1.0
137.02763	1.5
137.09637	1.4
139.00632	1.6
143.00127	1.5
145.10118	4.0
146.99641	2.1
147.11687	4.2
147.25212	1.0
149.09712	2.2
149.13287	1.7
151.00673	1.4
153.02182	2.3
157.01695	1.0
157.81306	1.2
159.03296	1.2
159.11682	3.1
160.03966	2.0
161.13257	1.3
163.11031	1.0
165.02290	1.3
167.03766	1.5
169.01721	2.2
169.05415	1.5
171.03319	3.6
171.11702	1.5
173.04810	1.8
173.13228	2.1
175.11301	0.9
179.03754	1.3
179.14272	3.2
181.05409	2.4
183.03178	1.2
183.11610	0.9
185.04875	4.1
187.02698	1.0
189.04446	1.4
197.04855	1.3
198.43881	1.0
199.06392	9.1
203.05946	2.1
205.07483	4.2
207.06802	1.0
209.01712	1.0
211.06366	2.7
213.08041	1.2
215.05884	1.2
217.07452	6.5
219.17499	1.6
223.02773	2.7
223.06427	1.2
223.08379	1.4
225.08000	2.6
229.07480	1.8
229.19501	1.1
235.06520	1.3
235.10010	1.2
237.08032	5.0
239.09572	2.1
239.17952	1.2
241.04181	1.0
241.11111	1.1
243.09001	5.0
247.20602	1.2
249.08206	1.1
251.09563	4.0
253.11211	2.4
255.09067	19.8
257.10614	1.4
257.19028	2.8
261.10007	2.1
265.11026	1.4
269.10486	2.2
273.10132	7.8
275.20074	13.4
277.11166	3.4
278.10651	1.5
279.08936	1.5
280.09781	4.3
281.10550	3.0
291.12592	1.4
297.10086	1.1
298.10880	1.8
299.11749	2.0
303.16293	1.2
313.14780	1.3
321.17404	1.0
331.15808	58.6
349.16888	100.0
349.23163	12.9
350.17218	2.0
367.17966	26.9
372.18509	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	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21658	0.9
52.11012	1.0
55.01866	1.7
55.05502	2.2
56.96567	34.2
57.03434	1.5
67.05491	3.8
69.07076	9.4
69.35033	7.9
69.35441	2.4
71.18395	0.9
71.95278	5.8
72.96017	1.5
74.08623	0.9
77.07974	1.2
78.96061	0.9
79.05508	5.3
79.54549	0.9
81.07035	4.1
84.96013	1.3
91.05460	2.4
93.07045	1.6
95.08605	1.6
97.06498	3.2
97.96775	2.2
98.97569	4.4
105.00149	2.1
105.07018	2.5
107.08595	2.3
109.06501	1.2
109.10175	1.1
110.97565	13.1
115.00647	1.3
115.97801	1.1
119.01719	1.0
119.08568	1.8
128.98608	9.9
131.08504	1.6
137.02721	1.2
141.02229	2.0
143.00206	2.8
145.10126	1.0
146.99619	2.0
147.11598	1.3
153.02159	2.2
155.03847	2.2
165.02202	1.4
167.03856	1.9
169.01717	1.5
171.03282	3.4
173.04875	1.3
181.05354	2.9
185.04843	3.8
187.06395	1.8
193.05373	1.5
199.06421	13.2
203.05907	3.3
205.01715	1.8
205.07436	6.8
207.06917	1.6
211.06418	3.2
213.07935	2.0
217.07541	8.0
219.17427	1.8
223.02782	3.5
223.08583	2.2
225.08000	3.5
229.07480	2.6
231.09018	1.3
237.04411	2.0
237.07941	5.9
239.09502	3.1
243.09065	4.7
249.08058	1.4
251.09525	3.2
253.11102	2.7
255.09050	28.6
257.10638	1.2
261.10245	1.5
262.08777	2.4
267.08990	1.3
269.10657	2.2
273.10080	13.0
275.20105	3.7
278.10724	3.8
279.09003	3.5
280.09790	7.4
281.10535	2.2
298.10974	1.7
303.16336	2.6
313.14902	1.4
321.17670	1.3
331.15778	57.7
332.15958	1.6
349.16873	100.0
349.23825	3.1
350.17270	1.8
367.17966	24.7
372.18457	8.4
374.89886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.0
56.96565	50.0
60.17548	3.9
67.05506	8.6
69.01252	4.2
69.07083	8.1
70.73577	8.4
70.73949	4.0
71.95254	6.9
79.05464	5.8
81.07078	7.4
93.07050	4.7
95.08601	7.7
96.61597	4.4
98.97578	3.9
105.07057	8.2
107.08589	6.2
109.06496	5.0
110.97589	17.4
114.51733	3.4
119.08482	4.2
123.08057	5.2
128.98665	5.4
131.08574	6.1
133.10150	4.4
133.39474	4.6
137.05992	12.0
146.99657	6.0
171.03256	6.8
185.04903	7.4
189.04276	5.2
189.45790	4.1
194.38879	4.4
199.06424	12.8
201.07953	4.4
203.05937	8.0
213.08086	6.8
214.82095	4.6
217.07495	10.5
225.07950	5.7
229.07426	5.6
237.08064	4.8
243.09096	5.7
251.09532	10.9
255.09061	18.4
257.19064	5.7
267.09027	22.4
269.10556	22.1
273.10083	12.2
275.20108	6.9
280.09900	3.9
285.10190	22.6
287.11688	6.4
291.12677	8.8
303.11096	4.2
303.39053	4.8
309.13647	6.7
331.15775	34.6
348.43402	5.4
349.16943	100.0
349.23880	11.2
350.17566	4.0
367.17880	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00088	1.3
53.03924	2.7
55.01863	2.7
55.05500	3.0
56.96570	43.3
57.03403	2.1
61.61287	1.4
67.05488	5.5
69.07073	10.5
71.95270	6.5
72.96040	1.9
79.05493	9.1
81.07078	6.6
83.06543	1.1
83.08582	1.5
84.96006	4.0
87.76662	1.3
91.05472	6.6
93.07042	6.7
95.04979	2.0
95.08593	2.9
97.96812	2.4
98.97581	3.7
105.00134	2.9
105.07011	3.8
107.08553	4.5
109.06532	1.6
109.10138	2.2
110.97551	9.7
115.00674	1.3
116.98614	1.4
117.07008	2.7
119.08588	3.2
121.10130	3.0
123.08051	1.9
123.93562	1.3
127.37685	1.6
128.98605	8.5
131.08519	4.0
133.10127	3.4
135.07970	1.9
135.11734	2.1
137.02737	3.5
137.05962	5.8
139.00630	2.1
141.02184	1.5
143.00131	1.6
145.10085	2.6
146.99651	3.6
147.11662	2.6
149.09570	1.7
153.02220	1.9
155.03818	2.7
159.11638	2.0
167.03761	2.2
169.01639	1.4
171.03265	3.1
173.04829	2.8
179.14320	3.1
181.05301	2.9
183.49013	1.2
185.04813	4.5
187.06493	1.8
189.04362	3.3
199.06461	11.2
203.05891	3.9
205.01718	1.4
205.07401	3.5
211.06361	5.8
213.07919	5.4
217.07452	8.1
223.02750	2.3
223.08409	2.2
225.07899	4.8
227.09509	2.4
229.07443	6.8
231.08932	2.4
237.04263	2.9
237.08025	8.2
239.09572	2.8
243.08936	6.7
251.09503	4.5
253.11087	3.4
255.09076	24.6
257.10526	1.8
257.18869	2.2
267.09125	6.9
269.10608	11.6
273.10083	10.5
275.20084	7.9
278.10556	2.4
279.09039	2.5
280.09689	4.1
285.10034	8.7
287.11542	2.4
291.12695	7.9
292.12363	2.0
295.12027	2.0
307.12207	1.5
309.13794	6.8
331.15790	46.6
331.19711	2.8
349.16797	100.0
349.23816	3.7
349.27197	3.3
350.17102	1.5
367.17871	26.2
372.18533	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	349.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18015	1.2
56.96568	7.6
57.03443	3.1
58.99871	2.2
60.04522	1.3
61.02926	6.9
68.98303	2.8
69.03429	4.3
69.26281	12.2
70.06571	2.2
70.99860	3.0
71.61896	1.4
72.08144	2.4
73.02912	1.8
77.00932	2.1
80.37123	1.4
81.03413	2.5
82.99828	8.9
85.01421	2.5
85.02914	9.2
87.10043	1.3
89.00880	1.7
91.03944	1.7
94.93002	5.2
94.99802	1.5
97.02896	6.5
98.97603	4.5
101.00886	70.9
103.02447	2.0
105.00361	2.3
109.02900	2.1
110.97549	3.7
113.00881	28.6
114.93329	1.3
115.02428	10.6
117.04045	1.7
119.01929	76.2
124.02414	1.6
125.00775	1.3
126.98788	2.7
127.02424	4.5
127.03911	3.7
128.98643	1.7
129.04010	2.4
131.01920	61.1
133.02534	2.6
133.03468	25.7
137.02960	6.0
138.05467	1.7
139.02409	4.0
139.04320	1.6
143.00192	2.6
143.01906	37.5
143.02867	1.6
143.05663	1.7
144.99799	3.9
145.03476	13.5
145.04616	1.9
145.04799	1.6
146.99585	2.1
147.01387	2.5
147.03145	2.2
147.86032	1.6
149.02951	8.3
151.04530	2.2
155.01924	13.9
156.03627	3.6
157.03493	8.6
159.01392	2.3
159.05014	2.5
161.02972	27.8
167.01770	1.5
168.99831	42.3
169.03419	7.8
169.04729	1.6
171.01399	3.6
171.05074	4.0
172.99301	4.5
173.02971	29.1
174.99126	1.8
175.04532	18.7
177.00723	1.6
177.02383	3.1
179.03995	1.5
180.99823	9.9
182.18700	1.3
185.02911	9.9
185.06531	3.7
186.99310	1.4
187.00891	34.7
187.04533	5.7
187.08476	1.3
189.00769	1.9
189.02397	3.1
190.98639	3.0
191.00336	1.8
191.03976	7.8
193.00160	2.6
196.99326	28.2
197.03000	3.1
199.00931	17.9
199.04486	2.7
201.00792	1.9
201.02525	6.8
203.03891	8.5
203.07535	1.8
205.01897	3.0
206.98270	2.2
208.99504	2.4
210.02527	2.1
211.04549	2.1
213.02483	4.4
215.00377	96.7
216.00517	2.1
217.01881	3.9
219.01648	2.2
219.03485	8.5
221.05067	19.5
227.00420	5.2
227.04204	2.0
228.03976	2.4
229.00334	1.7
229.01953	46.8
229.05469	3.0
230.02171	2.0
231.03552	9.0
232.99495	2.3
233.05138	2.4
239.06129	16.7
241.01872	10.2
245.01399	3.4
245.05113	1.7
247.03021	100.0
251.00761	2.1
251.06255	2.6
257.01309	1.8
259.03064	26.7
259.06247	2.7
261.04593	2.5
262.94705	1.9
270.04636	6.0
277.04111	4.5
287.06049	3.8
289.04053	26.9
295.08734	2.2
307.05273	1.8
317.03586	27.7
319.95947	1.5
321.06873	2.5
331.05075	5.0
349.06006	18.3
349.09772	23.6
367.07336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
51.23616	0.4
51.36280	0.4
53.03951	2.4
53.04160	0.4
55.01861	0.7
55.05519	5.5
57.03429	0.9
57.05274	0.4
58.25293	0.4
60.04518	0.4
60.21104	0.4
61.02910	0.6
61.14313	0.3
68.49596	0.3
68.99779	0.5
69.03078	0.6
69.03432	9.0
69.03808	0.5
69.07076	1.3
69.66035	2.4
70.06593	1.6
71.04993	1.4
71.55623	0.3
72.08149	0.6
73.02912	0.6
79.05502	0.6
81.03429	8.2
81.07064	2.4
83.04989	3.3
83.08629	6.7
84.04472	0.5
84.08136	0.9
85.02904	7.9
86.09692	1.0
86.65174	0.4
87.00848	3.0
91.05495	0.6
93.07030	0.6
95.04979	0.6
95.08575	0.4
97.02892	1.8
97.06514	0.8
98.48431	0.4
98.97607	0.9
99.04469	3.1
99.08109	3.6
101.09684	2.2
105.01865	2.1
109.02888	7.8
109.10172	0.8
111.04448	0.4
111.08092	0.7
118.94434	0.4
119.04941	0.5
120.04506	0.4
127.03928	19.3
127.11208	1.1
129.09212	0.3
129.10286	0.4
131.01920	0.5
145.04929	0.9
147.04424	2.6
153.12740	3.3
171.13841	1.7
173.03003	0.4
175.09671	1.1
176.35129	0.4
177.05515	0.9
178.68217	0.4
185.04236	1.7
187.03706	1.7
189.05469	0.7
204.06680	0.4
213.03940	0.8
229.03294	0.5
231.05006	4.1
234.98979	0.4
247.04468	2.8
252.77271	0.4
262.00876	0.4
265.05551	2.5
267.11099	0.4
307.06573	1.3
313.12091	0.5
326.30859	0.4
331.13098	1.6
349.08960	100.0
350.09329	0.7
367.08694	1.3
367.80060	0.4
371.95187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57390	0.6
56.05042	0.6
56.96568	0.8
65.02219	0.5
69.03419	0.8
69.07040	0.5
70.06571	0.9
71.56407	1.0
74.06057	1.3
80.48103	0.6
84.04511	1.0
85.02897	1.5
86.09705	0.7
86.51543	0.6
87.10009	1.1
88.03989	0.6
91.05500	0.6
97.02850	0.7
98.97575	1.3
107.04998	0.5
114.63225	0.5
119.01914	0.6
122.06105	0.6
126.05507	0.9
127.03919	0.7
127.05880	0.8
132.88719	0.5
138.05476	0.9
144.06540	1.4
145.06844	0.9
147.04431	1.9
155.01929	0.6
162.96938	0.8
179.68759	0.5
187.09476	5.5
189.05547	0.8
189.08781	0.9
190.09077	1.1
218.08517	1.1
219.01691	1.1
234.98990	1.1
247.04482	0.6
278.37653	0.6
289.11426	0.7
331.04602	1.0
331.13229	0.7
331.16818	0.7
349.08981	15.3
349.14651	100.0
350.14774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75906	1.1
56.55540	1.3
56.96561	7.6
57.03428	3.3
58.04998	1.3
60.04504	1.2
61.02923	6.6
68.98303	2.1
69.03429	3.9
69.25121	11.7
70.06596	2.0
70.99831	1.2
73.02905	2.3
77.00903	1.9
81.03413	1.9
82.99842	7.7
85.02916	9.4
86.99317	1.5
89.00887	1.8
94.06554	3.6
94.99815	1.6
97.02879	5.1
98.20790	2.6
98.97597	6.6
101.00891	65.3
103.02457	2.1
108.97739	1.3
110.97574	5.1
113.00890	24.9
115.02453	12.5
116.07040	1.7
116.98642	1.2
119.01931	78.5
120.02027	1.4
124.52102	1.2
126.98750	2.5
127.02438	5.0
127.03915	3.9
128.98631	2.6
129.04042	2.9
131.01917	56.3
133.03477	26.7
137.02007	1.3
137.02956	5.9
138.05518	1.3
139.02415	2.3
143.00145	3.1
143.01909	27.5
144.99849	3.8
145.03458	13.6
145.04617	1.8
145.04973	1.8
146.99615	2.0
147.03204	2.0
149.02946	8.2
151.04523	1.6
155.01878	12.9
156.03674	2.4
157.03531	7.8
158.99643	1.8
159.01413	2.9
159.05128	3.3
161.02972	26.0
163.04520	3.1
168.99843	42.8
169.03452	4.0
170.99622	1.8
171.01439	2.0
171.04993	2.5
172.99326	3.8
173.02975	26.3
174.99136	4.4
175.04552	9.9
177.00851	1.2
177.02499	2.8
179.02322	1.2
180.99809	9.3
184.04761	1.3
185.02913	8.6
185.06485	2.4
187.00900	37.2
187.02614	2.5
187.04530	5.4
189.00723	1.4
189.02464	2.4
189.06197	2.0
190.98657	2.0
191.00330	1.2
191.04047	7.7
193.00266	1.9
196.04686	1.6
196.99329	30.0
197.02927	2.0
199.00920	16.9
199.04417	1.2
199.08192	1.3
201.02498	8.3
203.02281	2.0
203.04015	7.7
205.00119	1.4
210.02371	1.8
213.02432	4.0
215.00388	90.6
216.00586	1.5
217.01999	2.0
219.01897	1.3
219.03578	9.5
221.03171	1.4
221.05109	15.6
223.00958	1.4
227.00385	5.4
228.03922	1.4
229.01991	50.1
229.05624	4.1
231.03551	10.5
233.01479	3.8
233.05009	2.5
234.05380	1.5
235.06734	1.7
238.01955	3.1
238.05595	1.3
239.00270	1.6
239.06145	17.5
241.01938	9.4
245.01447	4.9
245.05179	1.6
247.03029	100.0
248.03200	1.7
250.05074	2.9
257.01425	2.5
259.03036	26.0
259.06229	1.6
261.04660	2.3
267.03943	2.0
270.04584	4.2
271.02859	1.9
277.04047	5.1
277.10339	1.5
287.06137	1.5
289.04144	30.1
289.10580	1.6
295.08694	2.3
307.04993	2.8
317.03568	22.7
317.06863	1.1
331.04910	3.8
349.05389	13.7
349.09909	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	348.2747
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03934	0.9
55.01870	1.5
55.05518	6.5
56.05040	3.1
56.96572	1.6
57.03429	2.2
57.07069	0.8
60.04530	60.6
61.02913	0.8
67.05508	12.4
68.05051	1.6
69.03428	2.6
69.07074	6.3
70.06586	1.4
70.59653	2.1
71.04989	1.2
72.04522	4.9
72.08157	2.9
73.02919	1.0
74.06097	1.4
79.05484	7.0
80.05017	2.5
81.03424	1.8
81.07065	12.0
82.06577	1.5
83.04977	0.9
83.08636	2.9
84.04529	1.1
85.02908	1.3
86.06081	1.2
88.07640	0.9
89.88136	0.7
90.05569	5.5
91.05489	6.1
93.07053	6.9
94.06568	2.9
95.04978	2.3
95.08613	8.9
96.04517	1.2
97.02898	1.0
97.06548	1.9
97.10171	1.3
98.06053	0.8
98.21472	0.7
98.97586	0.8
105.07053	4.7
106.06525	1.3
107.04950	1.0
107.08617	4.2
108.08134	0.8
109.06504	0.9
109.10184	4.4
110.06068	1.5
114.05531	1.4
116.07124	0.8
116.98668	1.0
117.05757	0.9
117.07042	1.0
118.06578	0.8
119.08591	2.5
120.08099	1.5
121.10155	3.9
123.11697	1.4
123.55703	0.6
128.07068	1.1
129.06989	1.1
131.08572	2.3
132.06560	6.6
132.08060	2.9
133.06473	0.7
133.10159	2.3
135.11717	1.9
136.06233	1.6
145.10127	2.2
146.06026	3.4
146.09598	0.9
147.04387	2.0
147.11702	2.0
149.09616	0.7
157.10135	1.1
158.09602	0.9
159.11693	0.8
160.07573	0.7
162.09175	2.0
163.11250	0.8
176.10719	5.8
177.11542	3.3
190.08643	7.9
204.10188	1.1
246.22284	1.6
252.23239	1.9
255.01611	0.9
257.19009	1.7
264.23273	0.8
275.20160	2.1
276.23294	1.7
277.19128	2.1
286.18021	1.7
294.24319	3.5
312.25339	16.1
312.65253	0.6
330.26419	21.6
335.79147	0.6
348.21738	47.4
348.27441	100.0
349.23608	2.1
349.27750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.05515	3.2
56.05028	1.5
57.03442	1.1
57.07079	2.7
58.06594	0.6
60.04259	0.8
60.04529	9.7
61.04993	0.6
61.45433	0.6
65.03948	0.5
67.05509	4.3
68.05017	2.2
69.03420	1.0
69.07070	3.3
70.06586	3.6
70.82218	1.1
71.05005	3.2
72.04507	2.5
79.05514	2.6
80.05013	5.2
80.97940	0.5
81.07059	5.6
82.06590	1.2
83.08620	1.5
83.30645	0.6
84.04490	0.7
84.08139	1.1
85.06543	1.5
86.06071	0.6
90.05556	1.0
91.05473	2.3
93.00751	0.5
93.07041	2.5
94.06579	10.1
95.04981	0.7
95.06093	3.3
95.08609	4.8
98.06040	1.7
105.06989	1.0
107.08591	1.6
108.08151	0.7
108.12853	0.5
109.10166	2.1
110.09570	0.7
116.07161	0.5
119.08614	1.1
120.08099	0.7
121.06503	1.2
121.10169	1.6
131.08585	0.6
133.10143	1.4
135.11713	0.8
147.11679	0.9
149.13242	0.6
156.49423	0.6
159.72101	0.6
174.10315	0.9
184.16920	0.9
220.20613	0.6
226.21677	1.2
238.21661	8.1
248.23854	0.7
256.22687	5.1
258.20663	0.8
264.23355	3.2
266.24673	1.0
268.18100	1.2
274.23816	1.6
276.23251	4.1
285.14990	0.6
286.19122	1.1
294.24271	5.6
304.20224	3.6
312.25415	5.8
330.26410	10.8
348.27448	100.0
349.27853	1.3
374.58603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
50.23394	0.3
51.70584	0.3
53.03929	0.5
55.01859	0.3
55.05272	0.3
55.05515	4.0
56.05040	2.5
57.03432	1.3
60.04533	11.7
65.03938	0.6
67.05511	6.9
68.05024	1.5
69.03439	0.8
69.07074	3.1
70.06592	2.5
70.81969	0.9
71.04988	1.0
72.04508	1.7
72.08172	0.4
74.06047	0.7
79.05500	3.8
80.05022	9.1
81.07061	8.7
82.06590	2.3
83.08617	1.7
84.04494	1.0
84.08151	0.7
85.02885	0.5
85.06555	0.4
86.06067	0.9
87.04475	0.7
90.05555	1.1
91.05483	2.4
93.07050	4.2
94.06571	9.1
95.05019	0.5
95.08617	6.5
96.04488	0.4
96.08132	1.1
97.06545	0.6
97.10149	0.7
98.06064	1.7
102.05531	0.4
105.07034	1.4
106.06542	0.4
107.08592	2.2
108.08136	0.9
109.10153	2.5
110.06045	1.0
110.09685	0.4
112.07610	1.0
114.05530	0.6
116.07104	1.2
119.08599	1.6
120.08096	1.1
121.10139	1.8
122.09644	0.5
123.11700	0.8
124.07606	0.8
126.05491	0.4
126.09149	0.5
132.06554	1.6
133.07594	0.3
133.10138	0.9
134.09628	1.1
135.11691	0.9
136.11275	0.4
148.11165	0.4
150.77907	0.3
152.10727	0.5
162.12869	0.3
220.20612	1.1
226.21689	1.2
231.05620	0.3
238.21672	8.6
246.22263	0.5
253.93077	0.3
256.22736	7.3
258.22266	0.7
262.75775	0.3
264.23212	1.8
266.24841	0.6
271.27655	0.4
276.23218	5.3
294.24310	5.3
312.25363	5.9
330.26398	34.1
331.26663	0.6
348.27451	100.0
349.27679	1.6
353.95941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
55.05506	39.9
57.03425	11.5
57.07069	4.3
65.03959	3.1
67.05505	100.0
67.12549	3.1
69.03436	4.8
69.07067	27.4
69.78524	12.8
71.04989	7.0
71.08630	12.0
79.05495	35.4
81.03436	3.6
81.07064	86.3
83.04974	5.4
83.08630	31.9
85.06512	7.4
89.71584	2.7
91.05483	24.0
93.07051	44.1
95.05006	5.0
95.08617	29.1
95.49427	3.1
97.06535	11.5
97.10172	21.3
98.20825	4.2
99.08094	15.0
105.07019	19.0
107.04931	4.2
107.08601	29.0
109.06530	4.3
109.10169	46.4
111.08069	10.3
117.07037	8.3
119.04932	3.3
119.08607	13.9
121.10131	15.3
123.11683	7.3
125.09660	23.1
131.08565	9.6
133.10126	22.4
134.96936	3.1
135.08057	5.1
135.11702	15.5
137.09604	7.1
145.10185	3.9
147.04411	6.8
147.11681	8.0
149.13252	30.4
151.11192	9.3
153.09070	3.8
155.10651	34.0
159.11711	20.5
161.13232	11.2
163.11176	6.5
171.10191	5.4
171.11746	3.3
173.11752	74.9
173.13127	2.8
176.28531	2.8
177.12746	8.8
179.14261	4.7
189.11246	24.0
190.14319	3.9
195.13815	96.8
213.14844	45.8
226.67632	3.2
241.19545	3.8
259.20618	9.4
277.21631	61.0
295.22736	27.8
349.19797	7.3
349.23782	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2534
Annotation	Dictysine
Peak:m/z	Relative Intensity
51.88971	0.3
52.29010	0.3
55.05515	2.1
57.03423	0.6
60.04513	0.6
61.66111	0.3
67.05508	5.2
69.07047	1.0
70.04477	0.7
71.08611	0.6
79.05489	1.6
81.07050	2.7
83.08604	1.4
85.06585	0.4
91.05476	3.2
93.07053	2.3
95.08589	1.5
97.06510	0.4
97.10171	1.7
97.10717	0.3
99.08099	0.8
105.07016	1.4
105.59582	0.3
106.06553	1.2
107.08584	1.1
109.10162	6.1
117.07043	0.6
118.06539	3.7
119.04939	2.3
119.08551	1.1
120.08076	0.5
121.10085	0.6
125.09629	1.0
126.78245	0.3
130.06496	0.7
131.07283	1.0
131.08595	0.5
132.08075	2.3
133.08908	0.6
133.10127	1.0
134.09637	0.9
135.11697	0.6
137.09583	0.5
144.08080	0.9
145.10114	0.6
146.09656	3.1
147.04419	8.3
147.11691	0.4
148.04762	0.4
148.11237	0.5
151.11186	0.5
155.10677	3.4
159.11671	0.5
160.11203	2.0
162.09155	5.6
162.12781	0.4
171.10101	0.4
172.11113	0.5
173.11755	8.3
173.13052	0.3
174.12749	0.6
176.10719	4.2
176.95088	0.3
177.11511	0.6
177.12910	0.3
189.11238	1.4
190.12289	8.2
195.13840	0.4
204.13873	1.4
218.15552	0.5
244.20695	1.5
259.20294	0.4
272.20096	10.9
275.19922	0.5
277.21683	2.9
295.22800	0.9
304.19717	0.3
304.22641	1.9
330.24200	0.5
348.25342	100.0
349.19772	2.1
349.25592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01864	3.1
55.05511	3.8
56.05036	3.8
57.07077	1.2
60.04528	39.1
61.75809	1.1
62.24265	1.0
67.05510	7.7
68.05022	4.7
69.03436	5.9
69.07056	4.2
70.06593	5.5
70.08079	3.1
71.05002	9.9
72.04515	5.1
72.08134	1.2
73.02937	1.4
79.05495	7.2
80.05017	8.7
81.03408	4.3
81.07075	8.7
82.06578	3.9
83.04985	4.2
83.08615	2.1
84.08173	1.3
86.06090	2.9
86.09711	1.9
88.42848	1.3
90.05558	5.0
91.05473	6.3
92.05007	1.6
93.07053	7.3
94.06577	6.6
95.04973	2.7
95.08645	5.6
96.04488	4.0
96.08163	3.0
97.05922	1.7
97.06535	20.6
98.06057	5.3
100.37708	1.1
105.07034	4.5
106.06561	2.6
107.07337	1.2
107.08614	5.6
108.08150	1.7
109.06497	2.1
109.10195	2.4
110.06050	6.6
110.07169	1.5
111.08081	2.0
114.05530	4.3
116.07046	1.9
119.08575	3.7
120.08112	4.7
121.06523	1.6
121.10127	2.7
122.06027	3.6
125.09704	1.3
131.08594	2.2
132.06581	29.5
132.08066	1.6
133.10138	3.2
134.09680	2.7
135.11682	1.5
136.07585	1.7
140.07068	1.2
147.11725	2.0
148.11235	2.4
149.09637	2.0
151.11221	1.5
162.09186	1.2
165.12791	3.0
168.13802	1.8
168.31898	1.7
174.12766	2.1
175.11151	1.7
178.08664	1.7
197.15198	1.4
204.13828	2.3
208.09686	2.8
210.18536	2.7
223.16847	1.7
224.20035	1.8
233.15350	4.5
234.14868	1.5
234.18649	4.1
246.18542	14.2
248.16458	1.3
248.20100	5.5
252.19603	8.4
258.18610	10.4
264.19604	5.3
276.19611	18.0
290.17490	2.7
294.20660	13.0
295.62994	1.1
312.21692	25.3
321.75397	1.4
330.22800	76.7
336.74298	1.2
348.24118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.217
Annotation	Consabatine
Peak:m/z	Relative Intensity
55.05511	1.7
56.96561	0.9
57.07075	0.3
60.04534	2.2
67.05508	1.3
68.05006	0.4
69.03417	0.6
69.07050	1.1
69.62993	1.7
70.06586	0.8
72.08164	0.8
79.05492	0.6
80.05008	0.9
81.07059	1.3
83.08623	0.7
84.08137	0.5
85.02904	0.4
91.05489	1.0
91.11803	0.3
92.05027	0.3
93.07045	0.6
94.06561	0.4
95.04970	0.3
95.08629	0.8
97.06538	0.6
98.06052	0.6
98.97585	1.0
105.07020	0.6
115.05573	0.3
117.05756	1.2
118.06546	2.3
119.04968	0.5
119.08558	0.5
120.08147	0.5
123.08150	0.4
130.06517	1.1
131.08563	0.4
132.04468	0.3
132.06653	1.4
132.08096	6.0
133.08882	1.4
133.10034	0.5
134.06010	0.5
134.09657	0.9
136.06204	2.0
144.08116	1.1
146.06023	6.9
146.09674	0.8
147.04417	2.2
147.06761	0.5
150.09155	0.3
150.69879	0.3
156.08052	0.4
158.09688	0.6
160.07584	1.1
160.11269	0.4
161.08467	0.4
162.09113	3.8
174.09129	0.6
176.07146	0.4
176.10716	9.5
176.12268	0.5
177.11481	6.5
178.12297	0.7
188.10701	0.5
190.08638	16.4
191.09395	0.6
202.12350	0.5
204.10236	1.0
205.11043	0.7
205.61435	0.3
218.11819	0.7
220.13313	2.0
236.16534	0.3
243.07703	0.3
246.22192	0.3
258.18497	0.7
264.23322	0.6
266.12650	0.3
266.63211	0.4
268.16333	0.3
270.24380	0.5
275.20169	0.3
276.23206	0.5
277.19208	0.8
286.17825	3.7
286.20740	0.4
294.24252	0.8
304.19052	1.1
312.25400	1.0
320.22400	0.4
330.22888	0.4
330.26221	2.4
341.89194	0.3
348.21704	100.0
348.27179	7.6
349.22049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.56028	0.3
55.05519	1.6
56.96551	0.6
60.04529	1.6
67.05502	1.8
69.03426	0.5
69.07047	1.2
69.59322	0.3
70.06582	0.7
70.09009	1.1
72.08134	0.7
79.05477	0.9
81.07047	1.5
82.42024	0.3
83.08636	0.4
87.04473	27.3
91.05482	3.0
92.04489	0.4
92.05011	5.4
93.05780	0.8
93.07021	0.9
94.06586	1.5
95.08591	0.7
97.06535	0.8
98.97577	0.9
103.00134	0.3
105.07019	0.9
106.06558	1.8
107.08569	0.7
109.10161	0.6
117.05753	1.2
118.06548	17.2
119.07301	1.4
119.08601	0.4
120.08099	1.1
121.10105	0.5
123.11659	0.3
128.07060	0.4
129.07014	0.5
130.06546	1.7
130.28896	0.4
131.07289	0.7
132.08095	2.0
133.08904	0.3
133.10106	0.6
134.09589	0.7
146.09639	0.6
147.04424	0.8
160.11195	0.4
163.03841	0.3
202.15921	6.5
204.10201	0.6
204.13670	0.3
230.15411	51.8
231.15643	0.4
261.88330	0.3
262.18042	13.1
277.19199	0.6
310.54257	0.3
312.25116	0.5
330.26392	1.2
348.21710	100.0
349.22360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2172
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.03934	1.0
55.01861	0.7
55.05508	5.1
56.05021	1.0
56.05837	0.8
56.96569	0.6
57.03409	1.0
60.04520	2.8
67.04837	0.5
67.05503	3.1
68.05035	2.7
69.03409	2.0
69.07062	2.6
69.89425	2.4
70.06595	12.4
71.04970	1.8
72.04543	0.5
72.08149	3.2
73.02903	0.9
74.06056	0.5
78.27963	0.5
79.05487	2.6
80.05004	1.3
81.03413	5.7
81.07058	3.8
82.06548	0.8
83.04549	0.7
83.04981	7.6
83.08621	2.5
84.04491	1.2
84.08119	2.0
84.08921	0.5
85.02902	3.1
85.06540	0.8
86.09720	3.4
87.09982	0.7
91.05477	4.6
93.07053	8.2
94.06560	3.0
95.04974	3.8
95.08587	2.3
96.08112	2.0
97.02866	1.1
97.06503	2.3
98.06085	3.3
98.97547	0.7
99.04449	0.8
100.07592	2.0
102.05525	1.0
105.07022	7.8
106.06561	0.7
107.04919	1.2
107.08591	9.8
109.06529	4.0
109.10120	1.6
110.06054	5.9
110.07128	1.2
111.04426	0.9
112.07552	0.7
114.05531	7.4
114.65057	0.6
115.03897	1.5
116.04240	0.7
116.07063	2.2
117.06956	1.5
118.06522	1.1
119.04919	0.8
119.08571	4.2
120.08139	3.6
121.06474	2.2
121.10148	6.1
122.02701	0.7
122.06055	0.7
122.09626	0.8
123.08051	1.2
123.11710	0.8
125.09593	2.3
126.05515	0.7
128.07056	2.1
129.06946	2.1
129.10315	0.5
130.06473	1.4
131.08580	2.7
132.06512	0.7
132.08124	0.7
133.06447	1.9
133.10147	6.9
134.09616	2.1
135.08052	0.7
135.11639	2.0
136.06168	0.8
136.07494	0.6
136.11192	0.9
137.05942	0.7
138.09123	0.6
139.11176	0.7
140.07022	0.9
144.06512	0.9
144.08090	1.2
144.09225	0.8
145.10066	2.2
146.09659	0.6
147.04359	1.2
147.11659	2.2
148.07599	0.7
148.11243	3.3
149.09636	6.1
151.06281	0.8
151.11140	0.7
155.10625	0.7
156.08095	3.6
157.08836	0.6
157.10104	1.1
158.09601	0.7
158.10901	0.6
159.08046	1.1
159.11684	3.4
160.11130	1.3
161.13225	0.8
162.09167	2.6
164.07104	0.6
164.10669	1.0
166.08607	2.1
167.10672	4.0
168.10147	0.8
171.14928	0.6
172.07510	0.8
173.13141	1.1
175.11186	4.1
175.14801	0.8
177.12627	0.8
178.08621	5.9
180.10085	1.5
182.11758	2.8
186.12746	0.7
187.14621	0.6
189.12666	0.9
191.14238	1.3
192.10127	1.7
193.11026	2.6
194.11737	0.7
200.14311	0.9
201.12413	0.6
202.15891	3.5
206.11653	0.7
208.09695	9.9
215.14279	1.5
224.12604	0.5
232.13164	0.9
233.15370	18.1
234.99010	0.9
244.16470	0.5
246.14816	1.2
247.15666	4.1
248.12729	0.9
248.16431	6.4
264.15875	1.4
284.09079	0.6
288.08527	0.9
290.17432	6.7
304.21170	0.8
312.01450	0.6
312.22098	0.7
330.09543	0.8
330.19641	6.8
330.22983	3.8
348.21561	100.0
349.08856	7.1
349.21780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04883	1.4
55.01868	2.4
55.05510	8.0
56.05029	3.2
57.03440	2.0
60.04530	33.5
63.14453	1.4
63.41545	1.9
64.57902	1.5
67.05506	11.9
68.05021	10.6
69.03428	6.0
69.07066	3.7
69.37350	10.8
70.06592	25.5
71.04985	19.1
72.04516	4.2
72.08160	2.2
73.02905	1.4
74.06086	2.1
78.57680	1.4
79.05489	12.7
80.05018	6.9
81.03420	2.3
81.07057	15.1
82.06586	2.3
83.02953	1.3
83.04971	7.2
83.08624	2.9
84.04501	3.6
84.08138	3.0
85.02912	3.6
85.06535	2.6
86.06087	2.5
86.09704	3.7
90.05531	2.5
91.05480	15.3
91.44207	1.3
93.07044	19.2
94.06572	8.2
94.69638	1.5
95.04975	4.0
95.08604	26.6
96.04482	4.3
96.08143	10.2
97.06530	58.8
98.06060	14.6
98.20673	3.0
99.57227	1.8
100.07635	7.6
100.67516	1.3
102.05532	1.9
105.07024	19.5
106.06525	4.0
107.04971	2.9
107.08597	23.1
107.49063	1.5
108.08130	3.7
109.06525	13.2
109.10168	4.2
110.06051	7.2
111.08046	3.6
113.09635	29.2
114.05530	25.4
116.07108	15.3
117.07030	3.8
118.06496	1.7
119.04929	2.7
119.08553	13.6
120.08071	10.0
121.06490	3.2
121.10178	9.1
122.09662	1.9
123.08058	6.2
124.07547	2.0
125.09623	3.4
126.05585	2.5
128.07115	10.7
129.07002	3.8
131.08562	14.4
132.06584	19.2
132.08093	2.6
133.10121	14.0
134.09636	3.1
135.08083	2.3
135.11717	6.7
136.06227	2.0
136.11212	6.9
137.09642	3.5
138.09198	2.2
140.07094	3.7
142.07692	1.7
142.08659	4.1
143.08571	3.0
144.09308	2.5
145.10133	7.6
146.09573	2.0
146.10930	1.9
147.04384	2.7
147.08107	2.9
147.11673	18.9
148.11215	6.6
149.09641	4.3
149.13249	2.5
155.10666	100.0
156.09265	2.2
157.10143	11.2
158.08220	1.9
159.11679	16.1
160.11261	3.1
162.09222	2.0
162.12764	2.1
163.11147	2.7
164.10567	2.0
166.08682	2.2
167.26437	1.5
168.10202	17.9
172.11253	1.8
173.13254	4.1
174.05481	5.6
175.11197	22.1
175.14828	2.5
176.14288	2.2
177.12784	3.0
178.08673	8.7
182.11897	1.8
187.14838	3.2
189.12706	2.5
191.14204	2.1
192.10266	3.6
194.11780	9.1
197.13318	3.3
199.14807	1.6
202.15945	5.0
206.11723	2.0
208.09747	1.9
215.14339	13.5
222.15019	1.6
232.13211	2.1
233.15364	5.2
246.14967	4.5
246.18558	8.9
247.15674	6.2
248.16331	9.7
252.19749	3.6
258.18661	3.2
262.14401	1.6
262.18134	2.3
263.63950	1.7
264.15857	2.0
264.19589	3.9
274.14243	2.1
276.19626	10.2
286.16501	4.9
290.17538	8.5
294.20602	10.2
294.23712	1.9
312.18170	2.6
312.21631	15.1
330.19669	4.9
330.22778	85.4
348.21664	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	348.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05519	7.1
56.05024	3.7
57.03426	1.7
57.07064	0.7
60.04531	18.2
65.03936	0.7
67.05505	12.3
67.53288	0.7
68.05027	4.4
69.03431	19.6
69.07079	8.6
70.06596	15.5
70.89597	2.0
71.04987	3.3
72.04148	0.9
72.04519	7.2
72.08147	2.0
74.06086	1.9
79.05491	7.5
80.05018	10.0
81.03400	2.2
81.07061	12.7
82.06583	7.0
83.04983	2.2
83.08611	3.3
84.04499	3.2
84.08152	10.6
85.02901	2.3
85.06542	1.2
86.06069	9.2
86.09691	3.0
87.04473	29.0
90.05556	1.1
91.05486	7.4
93.07051	8.4
94.06583	10.8
95.04969	2.1
95.08617	11.5
96.04488	1.5
96.08113	4.4
97.02888	1.3
97.05919	0.9
97.06538	15.9
97.10162	1.5
98.05409	1.3
98.06056	22.6
98.97579	1.3
99.06857	1.2
100.07619	2.9
100.11245	2.4
102.05552	3.5
103.05435	1.2
104.07095	2.5
105.07039	6.5
106.06581	1.8
107.04950	1.0
107.08600	6.7
109.06532	2.1
109.10152	3.9
110.06042	3.1
110.07166	0.9
110.09700	1.8
111.04478	0.8
112.07613	32.4
113.09666	4.6
114.05538	6.6
116.07101	5.7
119.04984	0.9
119.08575	5.3
120.08103	2.2
121.06509	1.1
121.10170	3.9
122.09702	0.8
123.08100	1.1
124.07615	3.8
125.09660	1.5
126.05528	22.8
126.09122	1.0
128.07085	2.8
129.07022	1.7
130.08636	4.6
131.08575	3.1
132.06552	3.7
133.10152	4.6
134.09637	1.6
135.08014	0.8
135.11707	2.2
136.06181	3.0
136.11238	2.1
137.09630	3.3
138.05460	1.0
138.09135	2.8
140.07076	6.8
140.14351	1.2
142.08652	5.3
144.06554	17.3
145.10115	2.1
147.08031	1.4
147.11694	3.8
148.11182	1.2
149.01175	0.9
149.09621	3.3
150.12791	0.8
154.08632	0.8
155.10672	15.1
156.10161	3.4
157.10155	2.1
158.08134	17.5
159.11699	3.5
160.11197	1.6
163.11226	1.3
166.08635	1.0
168.10214	4.0
170.11749	0.9
173.13246	1.1
175.11197	4.2
178.08627	2.1
182.11769	2.0
182.15425	1.6
184.13350	0.9
192.10248	0.9
194.11726	2.1
194.95886	0.8
196.13405	1.8
198.14958	0.9
200.12836	9.0
202.15945	1.8
208.13281	0.9
210.14804	1.4
213.17506	1.0
214.14378	4.1
215.14308	2.5
222.14952	1.0
223.66180	0.7
228.12280	1.6
228.15952	2.8
232.13356	2.2
234.15021	0.9
238.21680	4.3
242.13919	4.7
242.51031	0.7
246.22128	0.8
247.15706	1.3
248.16464	1.0
250.14343	1.1
252.23463	0.8
256.22672	3.5
258.17023	8.3
258.22134	1.1
264.23068	1.3
267.18375	0.9
268.15421	1.5
269.16174	1.2
270.07678	1.5
270.20840	1.0
275.22012	0.7
276.23172	5.0
276.72748	2.0
277.19260	4.0
286.16571	4.5
287.17258	7.2
290.17407	1.3
294.17038	1.2
294.24274	6.2
304.17505	1.7
312.17920	2.0
312.25385	11.2
330.19122	2.0
330.26309	34.5
340.26028	1.5
348.20389	61.2
348.27274	100.0
349.20480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20911	3.1
56.05039	4.4
56.96570	6.4
57.03433	13.3
58.94522	3.1
59.74580	2.8
60.04553	3.3
61.02932	100.0
69.03426	7.9
70.99823	3.1
71.55750	4.4
73.02926	12.1
74.06067	10.9
82.99850	4.9
84.04500	9.1
84.08137	5.0
85.02908	32.3
86.09719	15.8
97.02892	13.6
98.97585	6.9
99.04462	4.4
101.00906	31.0
101.01535	5.2
101.02391	6.0
102.00945	4.8
103.02393	5.2
110.02153	3.6
110.97606	4.6
113.00862	12.7
113.02342	3.7
115.02453	5.7
115.03909	4.3
119.01930	51.6
120.02023	3.8
126.05489	11.6
126.98815	6.8
127.03940	9.5
129.00401	3.1
129.01823	5.1
131.01907	34.6
132.10211	11.2
133.02519	5.5
133.03435	22.5
134.03551	4.3
137.00891	3.2
139.02386	4.5
142.02942	9.4
143.01912	13.7
144.06564	20.9
144.99838	15.7
145.03479	9.9
145.05042	5.6
148.02957	7.5
148.04782	5.3
149.02893	7.5
155.01855	7.8
157.03438	5.9
158.01393	4.9
159.01372	5.4
161.02982	13.4
161.04274	5.6
167.01881	10.4
168.99812	21.1
169.78937	3.1
171.01396	5.6
172.99318	10.8
173.02972	12.7
174.02957	5.1
175.04576	5.0
176.02443	5.4
177.02475	11.2
177.04070	5.7
183.03294	4.4
185.02974	12.8
186.04666	6.4
187.00905	32.0
188.02469	21.7
188.52467	3.3
189.02495	7.8
189.04015	5.3
189.08755	21.4
191.00383	4.3
191.02130	4.2
191.04004	9.3
196.99324	13.0
197.02983	32.0
197.53040	6.7
199.00908	6.4
200.04695	3.6
201.02481	7.5
203.04073	8.4
205.01967	14.3
215.00383	35.5
217.01959	7.9
217.08141	17.4
218.03517	44.2
218.53596	13.5
219.03563	8.0
220.06891	7.7
220.57004	15.5
221.05014	5.4
221.06972	8.0
227.00365	11.5
227.03990	77.2
227.54076	14.8
229.01949	18.1
231.03497	5.5
235.02838	4.3
236.04530	9.3
238.54893	4.8
239.06093	6.3
245.01505	8.7
247.03018	45.4
254.99847	8.6
259.03021	10.5
266.59299	6.0
267.07248	9.9
273.00909	9.3
277.04092	3.6
287.02548	5.6
289.03955	11.1
301.00473	4.9
305.03549	4.5
312.15302	3.8
315.01791	8.4
317.03656	9.5
330.16339	4.0
333.03040	10.8
347.04596	5.3
349.06171	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	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.94659	0.5
69.90822	3.0
98.21471	0.5
261.14609	3.5
293.85324	0.5
347.21951	100.0
348.22198	1.1
363.99561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.21434	0.4
55.36992	0.4
61.67974	0.3
70.82211	0.8
91.35831	0.4
107.93352	0.3
116.14756	0.4
117.79181	0.4
128.12233	0.3
203.63538	0.3
235.13054	0.5
249.14743	0.5
260.03546	0.4
347.21936	100.0
348.22281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
58.19021	0.4
67.30114	0.4
70.08001	2.0
81.07079	0.4
83.34405	0.4
98.22997	0.5
125.05141	0.4
149.01266	0.6
171.99475	0.4
213.95927	0.4
266.14575	0.6
277.14297	0.6
347.21954	100.0
347.67633	0.6
348.22247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00142	27.9
54.70491	25.9
55.05486	32.7
56.38879	25.9
58.19615	24.8
66.93879	24.8
71.20941	63.5
74.19597	29.3
81.07056	28.7
95.08633	31.8
106.89182	27.3
112.71758	27.8
121.09280	27.4
218.43896	25.3
231.10655	51.3
347.20090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86007	0.9
52.23842	0.8
55.05516	1.1
56.96569	65.1
66.31158	0.9
67.05507	2.0
70.98122	11.6
71.57560	1.3
71.95275	4.6
74.97657	1.3
81.07088	1.0
83.08590	1.1
84.96042	2.1
88.99181	2.8
93.07043	1.5
95.08613	1.3
97.99213	1.0
98.21585	0.9
105.00180	1.5
113.92226	0.9
116.67894	0.9
123.01238	2.7
132.99655	1.2
135.08078	1.1
139.00693	1.2
141.02258	1.9
151.00711	2.2
152.01466	1.2
153.02260	1.0
159.03386	1.6
165.02245	2.3
167.03911	1.5
169.01794	3.5
169.05463	1.9
170.02576	1.6
171.03372	2.4
173.04921	2.5
181.05443	1.2
184.04152	1.5
185.04945	1.8
186.02039	1.4
187.02826	1.9
187.06503	2.4
195.07056	1.4
197.04837	2.2
199.06456	1.2
211.06514	1.5
213.08020	1.4
223.06560	1.3
227.49106	1.0
236.07344	1.3
237.08101	1.6
251.09691	1.1
263.09769	2.1
265.11169	1.1
268.09982	2.9
277.11142	1.1
278.08325	1.1
280.04443	0.9
281.10696	1.3
286.11136	1.8
295.12421	3.5
297.14105	1.2
310.10904	16.7
313.14902	1.6
315.16306	23.3
315.19781	1.6
317.17880	16.5
328.12128	2.4
329.14450	1.2
329.18121	1.2
331.15729	1.3
333.17361	22.7
347.18991	9.0
347.22128	100.0
351.13651	3.0
351.18036	1.8
356.18973	7.4
358.20682	1.4
363.18591	1.6
365.20007	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	347.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	0.7
55.05502	0.9
56.05046	0.7
60.04518	1.3
60.12471	0.4
68.05025	0.8
69.03439	3.1
69.68279	2.2
70.06585	1.3
71.05000	0.7
72.04517	0.6
80.05015	0.9
81.03419	3.6
82.06573	0.6
83.04982	0.7
84.04041	0.6
84.04508	6.7
85.02900	0.7
86.09692	0.6
90.05571	1.9
96.04496	18.4
97.02902	3.8
98.06059	8.4
98.97591	0.6
99.04458	1.3
108.04491	0.7
109.02887	4.2
110.06051	0.7
114.05536	1.0
116.07093	3.5
124.03909	0.6
126.05523	16.6
127.03918	1.4
137.05986	0.5
138.05507	100.0
138.47997	0.4
139.05861	0.7
140.07112	0.6
144.06566	17.9
147.04408	0.6
147.11177	0.4
162.07639	5.0
168.06573	22.4
186.07635	13.0
186.09341	0.6
264.52716	0.5
301.13867	0.5
347.14133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	13.5
57.17351	14.0
67.05500	31.1
69.07065	18.7
69.19952	84.6
69.20387	64.3
69.24010	13.7
81.07051	50.0
91.05467	13.7
93.07054	24.9
95.08614	30.4
98.20766	24.5
104.18505	13.6
107.04985	20.8
107.08575	27.0
112.08147	16.3
121.10139	28.8
133.10153	17.7
137.05949	80.5
147.11647	13.6
177.12730	16.2
190.49612	15.0
233.30411	13.9
315.19672	31.9
347.21896	100.0
347.26007	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01869	7.8
55.05513	100.0
56.05010	1.6
56.96564	4.8
57.03440	10.7
57.99626	1.5
60.04514	2.6
61.02920	2.7
65.03954	1.7
67.05509	2.6
69.03432	26.4
69.07066	2.5
69.27947	12.1
70.06601	11.8
71.01347	2.2
71.04994	5.3
72.08153	8.6
73.02908	5.4
74.06051	2.9
76.67332	1.4
79.05487	4.1
81.03404	5.9
81.07053	8.9
83.04966	2.5
83.08622	63.8
83.84702	1.6
84.04498	3.6
84.08143	12.0
84.96048	1.8
85.02909	33.4
86.09717	19.4
87.00813	13.3
87.04469	5.4
87.10033	3.9
91.05453	7.5
93.07035	3.1
94.06495	1.6
95.04959	2.8
95.08603	1.8
97.02893	28.2
97.06543	2.3
98.06035	1.5
98.97597	9.3
99.04445	3.2
101.09666	5.1
105.01854	12.9
105.07027	2.1
107.04951	3.1
109.06509	5.4
110.07162	1.5
110.97575	2.9
111.33156	1.2
113.07156	1.6
114.05547	1.8
115.03938	46.1
116.07078	2.8
116.98653	3.1
119.04955	3.5
120.08091	5.5
121.02862	1.6
125.02335	9.2
127.03914	6.5
127.07636	1.5
128.98569	2.0
129.10246	5.3
133.04955	9.0
136.07536	2.7
137.05965	6.6
138.05501	2.6
143.00215	2.2
145.04915	3.1
147.04422	4.3
155.07074	2.5
158.99661	3.3
161.01082	1.5
161.04460	20.6
166.08607	2.0
177.00690	4.0
179.05510	2.6
193.04405	1.8
199.18086	2.0
200.18459	4.4
201.03957	7.7
204.56697	1.4
219.01778	3.0
219.05009	8.7
222.06306	1.5
226.08614	2.6
237.02861	3.1
241.09656	3.6
247.04573	5.3
260.04788	1.5
269.47592	1.6
299.09253	1.6
311.11072	2.4
329.11719	2.1
329.21548	3.0
347.12289	8.0
347.16156	8.3
347.22543	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	347.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
53.08576	1.3
55.01872	9.1
55.05513	100.0
56.05036	1.9
56.22208	1.3
56.96552	4.7
57.03446	11.8
59.05006	1.7
60.04509	2.5
61.02917	3.7
67.05498	2.4
69.03433	25.6
69.07057	1.8
70.06585	9.3
70.08012	6.4
71.01343	2.7
71.05006	7.2
72.08144	5.9
73.02911	5.2
74.06056	1.8
78.68059	1.3
79.05472	2.6
81.03410	6.0
81.07066	8.8
83.04988	2.6
83.08624	66.8
84.04520	2.3
84.08149	12.3
85.02908	29.7
86.09708	12.7
87.00839	14.7
87.04485	3.6
87.10024	3.5
91.05466	7.1
95.04979	2.1
97.02891	32.1
97.06528	2.9
98.97593	5.2
99.04433	2.6
101.09637	6.0
105.01871	8.9
109.06520	2.9
110.07166	3.0
110.97548	1.9
111.04475	1.8
113.91415	1.3
115.03935	52.4
116.98645	2.6
119.04906	2.2
119.41074	1.5
120.08121	3.6
125.02339	10.5
127.03942	4.8
127.07513	1.5
129.10260	5.2
130.04904	1.6
132.08018	1.5
133.04976	11.5
137.05975	5.5
138.05464	1.6
143.03380	2.4
145.04956	3.1
147.04413	2.0
158.99655	1.8
161.04459	19.8
177.00697	1.6
179.05585	1.7
183.02908	1.7
192.25819	1.6
200.18356	2.3
201.04037	7.9
219.04951	6.6
241.09703	3.2
247.04543	6.2
311.11206	2.3
329.11475	2.5
329.21744	2.4
347.12585	14.0
347.16666	3.8
347.22461	4.0
367.05658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
57.07081	6.2
58.06565	1.3
61.79636	0.3
69.65633	0.5
69.66042	1.3
70.06598	14.2
71.08636	2.1
85.10143	0.9
86.09681	0.4
88.07633	17.9
102.09187	11.6
132.10170	0.8
146.11722	0.8
150.11269	0.4
240.26927	0.9
258.28006	0.4
259.04095	0.3
284.29483	40.3
285.29877	0.6
328.32156	2.8
346.33173	100.0
347.33554	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	6.6
58.06604	1.5
64.52576	0.2
69.07054	0.4
70.06595	14.6
71.08278	0.3
71.08628	2.9
72.08129	0.7
74.59579	0.2
84.08138	0.6
85.10188	1.2
86.09703	0.3
88.07635	19.6
88.80321	0.2
89.06009	0.2
93.40147	0.2
98.20696	0.5
102.09182	12.7
132.10188	0.6
146.11766	0.6
150.11255	0.7
155.20341	0.2
235.59796	0.2
240.26894	0.8
258.27811	0.3
284.29486	42.0
285.29642	0.6
328.32144	3.4
346.20789	1.4
346.33160	100.0
347.33560	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	1.9
55.05467	2.5
55.05710	0.7
56.04983	2.9
57.03402	0.9
57.07024	0.6
60.04472	17.8
67.05510	5.5
68.04971	2.0
68.05305	0.6
69.03368	2.7
69.07012	2.8
70.06528	2.6
70.67157	1.7
71.04992	4.4
72.04466	2.4
79.05498	3.2
80.05017	10.7
81.03355	1.8
81.07070	4.9
81.07492	1.3
82.06575	6.0
83.04931	1.0
83.08577	1.1
84.04456	0.7
84.08128	0.7
85.02833	0.6
87.04440	0.9
90.05520	1.5
91.05424	2.2
93.07052	5.3
94.06577	11.8
95.04890	0.7
95.08606	5.5
96.08078	1.3
97.06530	8.7
98.05996	2.0
100.10370	0.6
105.06977	2.2
107.08537	2.3
108.08122	4.0
109.10098	1.7
111.08040	1.3
119.08533	1.0
120.08056	1.9
121.10108	1.4
122.09631	0.6
123.07967	0.7
133.10063	1.2
134.09599	1.8
135.11591	0.7
148.11188	1.0
220.16898	0.9
224.19974	3.0
232.16954	0.7
236.20110	10.5
244.20589	1.6
246.22148	0.8
250.17935	0.7
250.21646	0.9
254.21210	6.6
262.21695	4.5
264.23221	2.0
274.21628	12.2
282.24329	0.8
292.22723	8.1
310.23755	4.1
328.24826	81.1
329.25046	0.8
346.25894	100.0
347.26245	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	346.2588
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
50.45456	0.3
51.29099	0.3
53.03882	0.5
53.04108	0.3
55.01786	1.6
55.02078	0.6
55.05425	3.4
55.05717	0.7
56.04943	2.3
56.05242	0.9
57.03344	1.4
57.07010	0.4
58.06511	1.0
59.16064	0.3
60.04431	4.9
60.04765	0.9
60.28576	0.3
67.05408	5.8
67.05794	0.8
68.04935	1.0
68.05246	0.3
69.03333	1.9
69.06971	2.5
69.70444	1.5
70.06496	4.3
70.06912	0.6
71.04896	4.1
71.05317	0.5
72.04430	0.7
72.04768	0.3
73.02833	0.6
74.05980	3.1
74.06430	0.8
79.05389	4.7
80.04916	5.5
80.05428	0.6
81.03333	1.0
81.06952	7.0
81.07462	0.6
82.06474	4.5
83.04874	2.2
83.07308	0.4
83.08512	1.0
84.04389	0.9
84.08032	1.8
85.06434	1.4
86.06006	0.7
86.09605	1.1
87.04372	0.4
90.05492	0.6
90.05995	0.4
91.05370	3.4
93.05682	0.5
93.06934	5.8
93.07557	0.5
94.06454	8.9
95.04912	0.8
95.08493	5.7
96.04417	0.6
96.08017	2.4
97.06420	4.6
98.05940	2.5
98.09618	0.5
98.21461	0.7
99.07977	0.4
100.07530	0.3
105.06908	2.4
106.06435	1.6
107.07261	0.6
107.08590	2.8
108.08114	2.5
109.06413	1.1
109.10151	1.9
110.05926	1.2
110.09560	0.9
111.08061	2.5
112.07561	0.6
113.09560	0.6
114.05466	0.6
116.07099	8.4
117.06924	0.8
118.06396	0.3
119.08566	1.9
120.08099	1.8
121.06432	0.5
121.10157	1.9
122.09548	0.9
123.07960	1.0
124.07456	1.2
124.11172	0.6
126.09082	0.6
129.06873	0.4
131.08453	1.3
132.06477	0.8
133.10121	1.5
134.09561	1.2
135.11584	1.3
136.07455	0.5
138.12682	0.7
145.10037	0.9
146.11688	0.5
147.11627	0.7
148.11180	0.5
152.14209	1.2
157.10043	0.3
159.11607	0.7
171.11542	0.4
179.14302	2.2
180.13710	0.6
187.14412	0.6
190.15907	0.4
194.15381	0.7
208.17036	0.7
208.20418	0.7
210.18439	0.8
218.15318	0.9
218.18842	0.5
219.17361	0.4
222.18405	1.1
224.20067	2.7
236.20099	21.1
237.18520	1.9
238.21616	0.7
244.20529	0.7
246.18498	2.3
248.20096	0.3
250.21651	4.5
254.21164	12.7
256.17999	0.5
262.21741	1.6
264.19775	0.5
264.23181	3.6
268.22726	1.7
272.22122	0.4
274.18524	0.4
274.21677	9.2
282.24393	0.4
292.22699	14.7
302.18646	0.4
310.20392	0.5
310.23734	7.8
328.21390	3.2
328.24820	61.6
329.25064	0.8
346.25894	100.0
347.26248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
51.11488	0.5
51.64929	0.5
55.01878	1.0
55.05511	4.2
56.05037	3.1
57.03431	1.2
60.04531	14.1
67.04266	0.5
67.05502	4.2
68.05037	1.2
69.03414	0.8
69.07066	2.4
69.39742	3.6
70.06603	3.0
71.04978	1.7
72.04494	1.7
74.06072	0.6
79.05503	3.9
80.05019	12.9
81.03419	0.7
81.07064	4.3
82.06568	4.3
83.04973	1.9
83.08618	0.7
84.04506	1.1
84.08150	0.7
85.06538	1.1
90.05544	1.1
91.05489	1.9
93.07042	4.1
94.06572	12.1
94.91549	0.5
95.04947	0.9
95.08607	4.3
96.08142	1.0
97.06529	1.1
98.06037	2.0
105.07040	0.9
106.06570	0.6
107.08601	1.5
108.08106	1.9
109.10146	1.3
110.06014	0.5
110.09608	0.6
111.08098	2.1
116.07071	1.0
117.06974	0.6
119.08592	1.2
120.08112	1.3
121.10143	1.5
122.09666	0.9
131.08527	0.5
133.10115	1.4
134.09651	1.1
135.11732	0.6
137.09599	0.6
138.12717	0.4
145.10110	1.2
148.11220	0.6
148.79056	0.4
162.12727	0.6
176.14284	0.6
178.15773	0.5
179.14285	2.4
185.65675	0.4
190.15941	0.6
206.15396	0.8
208.16971	0.9
224.20082	2.8
230.73842	0.5
236.20090	6.1
244.20584	1.3
246.18443	0.5
248.20007	0.7
250.21689	0.7
254.21202	6.1
262.21649	2.6
264.19571	0.9
264.23199	0.9
272.22086	0.8
274.21695	5.5
280.22479	0.6
292.22696	7.3
300.21863	0.5
310.23651	3.0
328.24854	29.5
329.25174	0.5
346.25894	100.0
347.22235	0.6
347.26306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2591
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
51.69278	0.4
53.03914	0.5
55.01852	0.5
55.05526	2.2
55.05790	0.4
56.05036	2.2
56.28295	0.4
57.03452	0.6
57.07066	1.7
58.06617	0.6
58.82117	0.4
60.04259	0.5
60.04534	7.7
67.05513	3.6
68.05025	0.9
69.03426	2.0
69.07059	1.4
69.33970	3.2
70.06593	2.3
71.05001	6.4
72.04512	1.1
74.06074	0.5
79.05495	2.2
80.05024	7.1
81.03407	0.9
81.07075	4.1
82.06591	3.0
83.04987	1.4
83.08636	0.8
84.04500	0.9
84.08136	0.8
85.06538	1.3
86.06067	1.9
86.09727	0.5
87.04482	1.5
90.05557	1.0
91.05470	2.2
93.07051	2.8
94.06572	6.1
95.04952	1.0
95.08606	3.0
96.04520	0.4
96.08133	0.7
97.06540	1.3
97.10154	0.6
98.06052	2.7
98.21574	0.7
98.97590	1.3
99.08097	0.7
104.07123	1.1
105.07024	1.5
107.08609	1.9
108.08095	0.5
109.10157	1.2
110.09635	0.6
111.08128	0.7
112.07578	0.7
116.07092	0.6
119.08603	1.5
120.08135	0.6
121.10134	1.1
122.09712	0.4
124.07527	0.5
124.11198	0.8
131.08618	0.8
133.10147	1.1
134.09694	0.6
135.11755	0.7
136.06204	1.6
136.07368	0.3
136.11241	0.7
137.06078	0.5
140.06862	0.4
145.10124	0.8
147.11682	0.5
149.09616	0.8
158.99669	0.5
173.01199	0.6
178.09424	0.4
180.13853	0.5
193.12254	1.0
210.80396	0.4
222.18539	0.5
224.20166	0.9
225.14822	0.6
236.20122	3.9
254.21162	6.1
262.21588	0.9
264.23270	0.8
268.22629	0.6
272.22202	4.8
274.21713	1.6
280.22617	1.0
284.18552	0.5
289.69922	0.4
292.22726	7.2
310.23691	2.5
316.83041	0.4
328.21182	7.6
328.24905	7.4
346.25906	100.0
347.26248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01867	1.8
55.05263	0.3
55.05510	4.6
56.05037	2.8
57.03439	2.2
57.07069	0.6
58.06580	0.8
60.04528	14.8
65.03938	0.4
67.04241	0.3
67.05173	0.4
67.05508	5.5
68.05038	1.6
69.03413	1.0
69.07072	2.6
70.06593	6.3
71.04996	5.6
71.57168	0.5
72.04518	2.2
72.08147	0.9
73.02915	0.4
73.75159	0.2
74.06065	0.6
76.07397	0.2
79.05493	5.2
80.05016	7.6
81.03416	1.5
81.07059	7.9
82.06113	0.3
82.06582	4.0
83.04986	2.7
83.08602	0.8
84.04502	1.5
84.08143	1.1
85.02906	0.7
85.06538	2.0
86.06088	0.5
86.09703	1.7
87.04444	0.3
88.03979	0.4
88.04636	0.2
90.05563	2.0
91.05481	7.7
92.05018	0.5
92.05798	0.3
93.05791	0.4
93.07043	7.0
94.06570	7.8
95.04970	1.3
95.08604	5.9
96.04474	0.7
96.08131	2.4
97.05928	0.3
97.06532	3.8
97.10166	0.5
97.36790	0.2
98.06051	2.1
98.09649	0.2
98.97546	0.6
99.08084	1.3
101.06026	0.3
102.05512	0.3
103.05462	0.3
105.07037	2.7
106.06555	3.9
107.07364	0.3
107.08596	2.8
108.08118	1.8
109.06504	0.9
109.10148	1.6
110.06039	0.8
110.09677	0.4
111.04254	0.2
111.08083	2.7
112.07581	0.4
113.09643	4.6
114.05515	0.6
116.07095	0.5
117.07037	0.9
118.06532	1.0
118.08639	0.4
119.08577	3.1
120.08117	2.1
121.10145	2.9
122.06015	0.5
122.09684	0.9
123.08060	1.5
123.11677	0.4
124.07583	1.2
124.11218	0.4
126.09144	0.4
129.07043	0.3
131.08591	1.6
132.06564	3.4
132.08063	0.6
133.10153	1.7
134.06880	0.2
134.09659	1.5
135.08029	0.4
135.11700	1.4
136.07570	3.4
136.11185	0.6
137.09622	0.7
138.12801	1.8
139.11212	0.3
141.09090	1.0
142.08607	0.6
143.08611	0.3
144.08107	0.2
145.10104	1.4
146.09653	0.4
147.08018	0.4
147.11684	0.7
148.11172	0.5
149.05971	0.3
149.09631	0.5
149.13345	0.6
150.09122	1.3
151.11160	0.6
152.14326	0.8
154.08606	0.9
158.08136	0.4
158.99632	0.3
159.11667	0.9
160.07529	0.3
160.11200	0.6
161.13219	0.6
162.12862	0.4
163.11234	0.3
164.10637	0.6
170.09630	0.3
173.13165	0.4
176.10703	0.7
176.14258	0.3
177.12724	0.4
179.14308	5.2
180.13832	1.7
187.10806	0.3
188.10687	0.8
194.11685	0.3
201.16365	0.6
204.13860	0.4
206.11784	0.6
206.15504	0.4
208.16985	1.3
211.13243	0.4
218.19067	0.5
219.17479	1.1
220.06465	0.7
220.16931	0.5
224.20033	1.1
233.15276	0.2
234.18547	0.3
236.16701	1.2
236.20102	15.5
238.18016	0.7
238.21719	0.6
239.19945	0.3
244.17004	0.5
244.20697	0.8
246.18581	0.8
254.21150	19.6
256.16675	0.3
256.18994	0.9
262.18054	2.6
262.21658	1.3
263.20071	0.3
264.19577	1.5
264.23132	1.0
266.21194	0.3
268.19009	0.4
272.22220	2.3
273.75247	0.3
274.18018	2.6
274.21652	3.6
280.19095	0.3
282.20715	0.3
282.24231	0.3
292.19092	2.6
292.22714	7.6
299.62897	0.3
300.21609	0.4
302.19470	0.8
310.20108	3.0
310.23755	2.7
327.89117	0.3
328.21146	22.8
328.24832	28.5
346.22177	12.2
346.25882	100.0
347.12354	0.4
347.26279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2224
Annotation	sebacoylcarnitine
Peak:m/z	Relative Intensity
53.03928	0.8
55.01880	7.8
55.05507	2.7
55.51292	0.7
56.05028	1.9
57.03434	1.6
60.04529	30.1
62.06094	0.9
67.05499	5.4
68.05019	2.1
69.03426	3.0
69.07059	1.9
70.02947	1.0
70.06586	2.6
70.71001	1.7
70.71374	1.7
71.04998	6.1
72.04500	2.5
72.08157	18.4
73.02920	1.8
74.06078	1.2
79.05488	6.6
80.05003	2.4
81.03420	2.0
81.07067	5.9
82.06564	2.8
83.04999	1.1
84.04499	2.0
84.08144	1.3
85.02911	1.2
86.09706	21.0
87.04478	2.0
88.03976	2.7
90.05542	3.3
91.05473	8.1
93.07039	3.6
94.06573	6.0
95.04937	1.0
95.08595	3.4
96.04497	2.4
96.08139	1.6
97.06535	37.9
98.02428	1.6
98.06052	2.5
98.97584	2.2
100.03946	0.9
101.88138	1.0
102.05552	1.1
105.07028	3.1
106.06539	3.8
107.08572	2.4
108.08105	1.1
109.06528	0.8
109.10116	0.9
110.06038	3.6
111.08086	1.7
112.07612	0.9
114.05553	1.0
116.07086	1.3
117.06993	1.7
118.06541	1.0
119.08564	3.8
120.08099	3.3
121.10119	2.2
122.06001	2.7
122.09635	1.5
123.08072	1.6
124.07581	2.7
127.08686	4.1
128.07077	1.5
129.07021	0.9
130.04984	0.8
131.08542	3.8
132.06569	15.3
132.08070	1.1
132.10188	2.2
133.10135	2.5
134.09641	1.3
136.07590	4.9
137.09657	1.0
138.09149	1.5
140.07037	2.6
141.09120	1.6
141.10219	1.7
142.08609	7.2
145.10069	1.6
146.09631	1.4
147.11716	1.5
148.07541	1.1
149.09685	0.9
150.09174	1.6
150.12671	0.9
151.11131	1.0
154.08694	1.1
156.10208	1.4
158.08116	3.5
159.11630	1.5
160.11235	0.9
164.10696	2.6
165.12732	1.2
166.74158	0.9
168.10393	1.0
169.09805	1.2
173.01300	0.9
173.13353	1.0
177.12822	1.5
187.10791	28.2
189.12816	1.1
190.12355	1.6
201.12344	13.1
202.10748	2.6
208.13316	1.2
215.10260	7.1
217.15335	1.6
229.11856	3.3
232.16843	0.8
236.19569	0.8
244.17073	2.5
246.18582	1.8
250.17909	1.1
256.17215	1.5
262.18048	6.8
264.19556	1.5
274.18039	7.6
292.19150	8.4
302.19562	1.3
310.20187	11.2
328.21194	75.8
328.24533	3.6
329.21417	1.0
346.22211	100.0
346.25735	9.3
347.22522	1.3
356.00323	0.9
366.07108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
55.05512	8.8
56.96563	10.2
57.03434	2.5
59.05004	1.8
67.05507	26.0
67.47754	1.1
69.03421	3.7
69.07069	12.6
70.08015	4.3
71.04992	1.8
73.02926	1.6
79.05492	14.0
81.03448	1.5
81.07062	29.7
83.04974	3.1
83.08625	9.4
84.96052	3.4
85.02905	1.3
88.22685	1.1
91.05476	10.7
93.07047	12.0
95.05001	2.0
95.08614	13.6
97.02882	1.3
97.06541	4.4
97.10177	3.7
98.97588	100.0
105.07047	10.0
107.04997	2.9
107.08601	16.7
109.06486	2.9
109.10172	13.7
110.97585	4.6
111.08107	2.0
112.99133	20.5
112.99846	2.1
114.29676	1.3
116.98629	28.6
117.07028	3.8
119.08595	8.6
121.06478	2.4
121.10165	5.9
123.08113	1.6
123.11724	1.5
124.95509	2.9
125.09655	4.8
126.97017	1.4
128.98610	1.8
129.07019	2.1
131.00188	20.3
131.08571	5.4
133.10155	9.3
134.99666	4.9
135.08041	1.6
135.11713	4.8
140.00198	2.6
140.98634	3.3
142.96529	4.2
144.98088	3.5
145.10141	3.8
147.11699	4.3
149.01228	9.0
149.09613	4.0
149.13275	5.4
154.01768	2.6
155.10674	4.3
158.99657	36.6
159.08151	1.1
159.11676	6.8
160.97578	2.5
162.99187	2.7
163.11250	2.3
170.99699	1.6
173.01236	38.1
173.11787	14.3
173.13181	2.0
177.00725	21.9
177.12694	1.4
182.99677	1.5
184.97586	7.0
189.00664	2.3
189.11235	4.8
191.02298	23.2
195.13829	14.8
200.02235	2.8
201.00690	9.9
202.98628	11.9
205.75452	1.1
213.14822	7.5
214.03902	3.8
219.01768	13.3
220.99805	2.1
226.00128	1.5
226.98689	3.5
229.25459	1.3
231.01781	1.9
244.99724	38.4
254.34576	1.1
257.19016	3.4
263.00836	8.7
264.11310	2.4
264.61414	1.8
265.10211	3.8
275.17264	2.2
275.20084	24.6
275.23093	1.4
276.62881	1.3
286.02100	1.6
293.21121	5.4
315.85205	1.4
323.02618	1.4
328.24826	2.3
332.39893	1.3
337.14059	8.3
345.63812	2.9
346.13361	3.3
346.26331	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	346.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18496	1.0
55.01850	1.3
55.05504	5.2
55.93860	0.9
56.05032	1.1
56.96561	9.2
60.04524	8.5
67.05494	4.3
69.03418	2.7
69.07076	4.6
70.02703	2.0
70.03108	3.4
70.06586	2.3
71.05006	1.8
79.05484	3.1
80.05025	3.7
81.03426	1.7
81.06699	0.8
81.07065	8.4
82.06574	1.9
83.04995	1.3
83.08611	3.0
84.04480	1.1
84.08131	2.9
84.96034	3.8
85.02908	3.0
85.06533	2.0
91.05468	3.3
91.90995	0.9
92.66302	1.1
93.07043	4.1
94.06573	4.5
95.04995	1.9
95.08614	5.9
97.06538	2.6
97.10194	1.3
98.97588	100.0
100.11240	1.0
105.07043	1.6
107.08595	4.1
109.10149	4.4
110.97569	3.1
111.08092	1.8
112.99125	18.0
116.07055	1.3
116.98627	30.6
119.04933	1.1
119.08595	2.7
120.08118	1.1
121.10215	1.2
124.59364	1.1
124.95515	3.9
126.97042	1.1
128.98602	1.6
131.00162	19.6
131.08595	1.1
132.06619	1.2
133.10083	1.0
134.09616	1.1
134.99663	7.9
135.11690	1.7
137.09651	0.9
140.00208	3.8
140.98654	2.5
142.96538	3.5
143.00124	1.1
144.98062	2.4
147.04407	2.9
147.11685	1.4
149.01247	8.6
149.13264	2.1
158.01349	1.0
158.99666	34.4
160.97552	2.6
161.01184	1.7
162.99138	2.6
164.64783	1.0
167.02306	1.9
173.01236	39.8
177.00719	22.9
184.97559	6.8
191.02286	24.0
195.01715	1.5
200.02370	2.0
200.04858	1.2
201.00722	10.7
202.98653	12.1
214.03931	4.3
219.01762	12.1
220.99698	2.9
226.00150	1.4
226.98642	2.8
231.63730	1.0
236.20094	2.8
242.03404	1.8
244.99704	40.5
254.21246	2.2
263.00711	9.9
265.62524	1.3
268.01282	2.0
274.21707	2.7
283.15347	1.8
286.02460	1.5
292.22760	3.2
301.09653	1.2
302.42068	1.1
305.01755	1.7
310.23654	2.1
327.23532	1.7
328.24887	12.9
333.04526	1.1
345.24478	6.8
346.13647	1.1
346.25900	32.5
346.64813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22907	25.7
52.28118	24.8
56.24240	26.1
58.93522	22.9
59.18999	25.0
69.79174	100.0
69.79587	53.7
70.80298	27.4
85.02496	29.7
85.74602	27.7
86.75230	30.9
93.07095	31.0
121.23924	29.7
231.81395	28.1
325.40210	29.8
368.86179	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2638
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.95788	1.3
53.03954	4.3
55.01884	3.3
55.05517	80.4
56.96565	3.3
57.03185	2.0
57.03443	24.3
57.07084	11.7
60.04540	9.0
63.89086	1.3
65.03944	2.4
67.05511	76.3
68.05851	1.7
69.03436	5.7
69.07073	92.6
70.06609	2.2
70.73729	1.7
70.74061	2.8
71.05012	9.5
71.08634	2.0
72.04526	1.7
73.02927	2.2
73.06556	2.3
79.05501	31.6
80.00686	1.3
81.03438	3.8
81.07065	100.0
83.05002	5.8
83.08626	55.5
83.09118	3.0
85.02929	3.6
85.06546	8.4
91.05490	21.0
93.07051	37.9
94.07374	1.6
95.04995	3.9
95.08616	95.2
96.08996	1.8
97.02907	2.7
97.06532	16.9
97.10174	37.0
98.97597	13.0
99.04491	1.9
99.08116	6.3
101.06040	1.4
105.07036	17.8
107.04996	3.1
107.08604	25.2
107.09285	1.9
109.06559	4.2
109.10166	40.4
109.54652	1.3
111.08089	7.6
111.11734	13.1
112.99176	2.0
113.05996	1.5
113.09696	2.7
115.07587	1.3
116.98664	4.7
119.08582	18.9
121.06547	1.9
121.10155	34.8
123.08112	5.4
123.11723	15.6
125.09671	7.9
125.13317	5.3
129.05528	1.7
131.00215	2.0
131.08652	2.1
132.06673	1.7
133.10155	20.5
135.11703	30.1
137.05978	1.7
137.09656	5.5
137.13277	8.9
139.11229	6.7
141.09106	1.6
145.10130	2.2
147.11702	12.0
149.09660	1.9
149.13269	7.9
150.09196	3.3
151.11232	5.3
151.14877	4.8
153.12746	7.5
154.42865	1.4
158.99734	5.4
159.08136	1.6
161.03069	1.5
161.13260	12.2
163.07608	1.4
165.09239	2.1
165.12840	5.1
167.14377	1.5
173.01314	4.2
174.09235	2.3
175.14903	5.9
177.00897	2.9
179.14378	4.0
189.09200	2.3
191.02278	2.2
193.19594	2.3
201.00835	2.0
217.19562	23.6
217.21600	1.9
218.07129	1.5
219.01831	2.1
235.20583	21.1
244.99791	3.5
253.21660	10.5
255.98459	1.4
264.11426	2.3
291.19528	2.8
292.22989	1.9
309.24396	18.5
327.25394	72.3
328.21686	1.6
328.25418	5.7
345.09872	1.6
345.26492	90.9
346.23587	2.2
346.26202	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21443	3.3
53.03923	5.2
55.01873	6.5
55.05518	38.8
57.03447	6.1
57.07074	17.7
61.44991	3.0
62.25952	3.4
67.05506	71.8
69.03423	5.9
69.07074	54.4
70.28144	12.3
71.05003	8.4
71.08649	23.8
79.05497	41.7
81.03419	8.6
81.07060	67.0
83.04974	15.1
83.08618	29.6
85.06543	5.6
85.10182	29.7
91.05496	27.7
93.07045	69.1
95.04954	7.4
95.08610	100.0
97.06519	11.9
97.10191	20.7
99.08100	29.6
105.07033	31.6
107.08604	36.6
109.06532	11.1
109.10142	21.9
111.08105	5.5
113.09644	55.5
117.06989	6.8
119.08568	26.3
121.10145	71.1
123.08132	7.9
123.11726	8.8
125.09655	11.1
129.07092	4.2
131.08556	22.7
133.10130	17.7
135.11717	16.4
139.11188	38.6
141.12733	9.2
145.10172	12.1
147.11699	26.4
149.09639	30.5
149.13313	5.9
151.11226	6.0
153.04086	3.7
155.10672	5.6
157.10164	10.8
157.12184	4.9
161.13283	11.5
163.11266	11.0
165.12778	25.1
167.10660	9.8
169.12225	5.6
171.11696	4.8
171.13660	3.8
173.13194	3.9
179.14258	5.6
181.12225	6.2
183.13881	6.5
185.11719	10.8
185.13187	3.9
188.82619	4.2
189.11218	11.8
189.12764	3.4
193.12230	18.1
203.12851	4.9
207.13901	4.4
217.14369	14.2
217.19513	3.6
225.14925	7.3
231.21196	6.3
241.19572	8.4
259.20596	16.4
277.21640	50.6
277.24377	5.3
295.22723	37.5
309.24261	10.2
344.38193	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	7.4
55.05519	52.8
57.07079	9.6
66.89574	7.1
67.05518	83.4
69.07061	36.7
69.41613	40.5
69.42030	19.7
71.04993	7.5
71.08641	36.6
71.64281	7.2
79.05500	60.0
81.07056	100.0
83.04986	27.8
83.08608	15.8
91.05485	37.5
93.07047	86.9
95.04979	19.6
95.08605	45.8
97.06543	22.9
97.10184	6.9
99.08089	50.3
105.07043	32.6
107.08601	39.7
108.20836	6.5
109.10157	24.3
111.08097	13.2
112.26198	6.9
117.07009	7.9
119.08611	20.3
121.10151	29.5
123.11721	8.9
125.09612	13.6
131.08578	17.3
133.10150	22.1
135.08032	8.7
135.11700	30.9
139.11183	41.1
145.10049	8.9
147.11678	25.6
149.13261	28.2
151.11211	21.1
157.05574	8.0
159.11685	17.6
160.79976	8.0
161.13246	13.4
163.11244	13.7
171.11687	12.0
173.13235	7.7
175.14882	13.6
177.12714	15.1
193.12413	9.1
195.13863	22.4
211.40918	9.1
217.19481	6.6
241.19598	19.5
259.20627	13.4
277.21658	85.4
291.23193	31.5
309.24265	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.9
55.05516	43.1
57.03427	7.3
57.07053	11.7
58.55741	5.7
60.40061	6.0
67.05509	100.0
68.56875	6.0
69.07084	36.7
70.16376	20.0
71.08617	21.1
79.05493	45.7
81.03393	5.4
81.07056	97.2
83.04968	14.1
83.08617	22.4
85.06518	8.8
91.05478	39.6
93.07037	68.5
95.04954	12.4
95.08603	45.5
97.06541	18.7
97.10161	9.5
98.20827	6.7
99.08080	19.6
105.07023	31.8
107.08591	33.3
109.06497	5.8
109.10162	41.0
111.08073	12.5
117.07004	6.9
119.08560	19.4
121.10126	24.3
123.11697	6.4
125.09587	6.9
129.06978	9.4
131.08533	12.5
133.10117	23.8
135.08113	5.5
135.11694	14.0
137.09598	7.6
139.11169	22.2
147.11655	19.4
149.13261	38.1
151.11209	7.1
155.10643	17.4
159.11674	17.9
161.13321	14.5
163.11215	7.0
171.11691	5.8
173.11777	39.4
177.12656	13.4
187.13264	8.4
193.12277	12.5
195.13808	48.8
213.14893	5.9
217.19354	6.9
259.20465	9.5
277.21677	48.4
291.23242	14.9
309.24319	11.7
316.87131	5.8
344.37973	15.3
345.20328	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.01867	14.6
55.05513	54.6
57.03433	7.5
57.07076	12.2
66.78278	5.2
67.05506	70.3
69.03421	18.8
69.07071	45.8
71.04995	9.9
71.08111	10.7
71.08622	21.3
78.90804	5.1
79.05495	60.8
81.03416	7.5
81.07060	100.0
81.11504	4.9
81.45865	4.8
83.04992	28.7
83.08611	28.2
85.06533	14.3
88.07642	8.5
91.05477	46.3
92.36618	4.6
93.06481	5.4
93.07053	84.0
95.04973	20.4
95.08611	61.4
97.06559	27.9
97.10187	21.2
99.08103	10.9
100.26446	5.0
105.07034	33.2
107.08598	44.1
109.06548	6.1
109.10144	17.0
111.08089	11.3
117.07011	10.5
119.08582	25.7
121.10131	33.3
123.11716	8.5
125.09631	14.3
131.08574	16.5
133.10118	33.0
135.08032	6.3
135.11658	30.0
139.11183	44.9
145.10144	5.1
147.11653	23.5
149.13264	36.7
157.10121	6.1
159.11705	20.0
161.13269	15.4
163.11134	7.8
163.14807	9.4
165.12743	5.4
171.11671	7.2
173.13264	9.2
175.11220	7.0
175.14830	15.1
177.12709	5.6
193.12224	6.0
195.13867	21.9
203.12753	13.7
213.14877	6.0
221.15442	5.3
241.19557	16.7
249.22099	5.7
259.20560	14.5
277.18719	9.5
277.21597	90.1
291.23090	21.7
305.00464	5.9
309.24237	29.7
345.20450	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63036	1.5
55.01867	3.7
55.05264	2.7
55.05515	36.8
55.81013	1.5
57.03433	1.6
57.07072	1.8
59.05012	1.8
63.40371	1.5
67.05508	20.4
69.03437	4.6
69.07072	9.8
71.08635	37.0
79.05508	17.9
81.03423	2.3
81.07057	16.8
82.44066	1.5
83.04972	3.7
83.08624	29.8
84.18519	1.4
91.05476	4.8
93.07043	14.4
95.04947	4.1
95.08595	4.6
97.06547	2.9
97.09550	2.8
97.10175	58.3
99.08101	30.8
105.07055	5.4
107.08602	26.6
107.35870	1.6
109.10147	5.3
109.97417	1.5
111.08080	4.1
117.06973	1.8
119.08585	2.7
121.10160	3.6
125.09634	66.4
126.12833	3.2
133.10132	2.9
135.08058	15.0
135.11697	5.0
139.07542	4.0
143.08575	1.8
145.10103	4.0
147.11693	2.4
149.13271	2.9
151.11188	13.8
153.09113	14.1
157.08646	2.5
157.12253	4.9
161.13245	5.8
163.09840	1.5
163.11186	6.5
171.10173	5.3
171.11708	2.3
175.14816	2.6
177.12695	2.1
179.14339	3.8
185.11824	2.3
189.12912	1.8
193.15906	1.9
203.12790	100.0
212.16493	2.0
225.18478	5.7
231.21092	2.0
239.20131	2.2
241.19548	4.8
259.20578	9.2
277.21640	52.7
285.03958	1.8
291.23218	16.0
309.24268	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.0
55.01874	7.9
55.05519	71.0
57.03428	21.9
58.94902	6.9
67.05176	7.0
67.05510	82.0
69.03450	10.0
69.07071	55.8
71.04989	16.7
76.42712	6.9
79.05495	91.5
81.03433	38.3
81.07058	86.5
82.06591	8.5
83.04964	20.4
83.08613	28.3
88.07642	7.4
91.05481	48.1
93.06558	8.8
93.07061	100.0
95.04958	29.5
95.08593	51.4
97.06555	48.7
97.10174	57.7
105.06995	37.3
107.04966	7.4
107.08608	46.2
109.06521	35.2
109.10166	34.2
111.08158	10.2
113.06003	19.7
117.07021	18.0
119.08616	38.0
119.77837	6.6
121.06506	8.2
121.10152	30.6
123.08075	32.2
125.09644	43.3
131.08553	26.1
133.10101	24.5
135.08067	11.3
137.09598	14.2
139.11124	6.9
143.08478	7.3
145.10143	15.0
147.11668	15.4
149.13208	6.3
151.11206	6.6
157.10097	8.7
159.11681	20.7
161.09581	10.1
161.13097	7.3
163.11151	12.5
165.09149	6.6
173.11763	8.5
173.13211	7.3
175.11169	7.8
177.12729	12.0
187.11145	10.9
189.11182	38.4
193.12184	7.1
217.15944	8.4
221.15334	9.7
223.13229	19.1
227.12735	7.0
273.18491	20.6
291.19617	47.3
308.22348	7.7
309.20596	14.9
326.23535	9.2
344.24319	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Broussonetine V
Peak:m/z	Relative Intensity
53.03937	0.4
55.01863	1.2
55.05513	3.3
56.05021	1.2
57.03431	1.0
57.07063	1.2
60.04531	13.5
65.03906	0.4
67.05505	4.1
68.05021	1.4
69.03417	2.3
69.07067	1.1
69.31882	3.3
70.06591	2.0
71.05005	3.5
72.04514	1.9
74.06056	0.6
79.05508	3.4
80.04636	0.5
80.05025	6.5
81.03400	0.5
81.07062	4.7
81.95959	0.4
82.06584	2.2
83.04961	1.5
84.04493	1.2
84.08125	0.5
85.06532	1.1
86.09719	0.4
90.05535	0.6
91.05483	4.0
93.07056	3.5
94.06576	6.5
95.04959	0.9
95.08627	2.5
96.04462	0.6
96.08145	0.8
97.06539	4.0
97.10198	0.4
98.06062	3.2
98.09709	0.4
102.05505	0.4
105.07058	1.9
105.47626	0.4
106.06564	0.8
107.08588	1.7
108.08128	1.0
109.10159	1.0
110.06049	2.1
111.08101	1.5
112.07632	0.6
114.05523	0.8
116.07079	1.0
117.07015	1.1
119.08573	1.8
120.08097	1.5
121.10147	1.2
122.09604	0.4
123.08077	0.6
124.07568	0.7
125.09653	0.5
127.77217	0.3
128.02454	0.4
128.07100	0.6
131.08577	1.5
132.06589	3.3
132.08099	0.6
133.10121	1.0
134.09653	1.3
135.11655	0.6
136.11201	0.7
137.09615	0.7
138.09093	0.6
145.10117	1.0
147.11665	0.8
148.11229	0.8
158.08104	0.4
161.13280	0.7
169.10190	0.3
172.09702	1.0
189.16386	0.4
219.73041	0.4
222.18744	0.4
234.18533	1.2
252.19635	3.4
260.20181	0.9
262.21780	0.8
266.21292	0.5
270.20667	2.7
272.20193	0.8
278.21088	0.8
290.21075	2.2
300.17917	0.5
308.22177	2.8
326.19421	0.6
326.23273	14.9
344.24323	100.0
345.24744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.5
55.05502	19.6
57.03427	20.8
67.05505	55.0
69.07067	92.4
71.04995	44.3
71.07446	10.8
73.02887	4.9
76.47133	4.7
79.05492	51.9
81.03421	37.0
81.07054	69.1
82.91139	4.6
83.04985	11.8
83.08622	10.4
85.06532	8.3
91.05470	37.9
93.07046	55.7
95.04964	47.0
95.08627	24.3
97.06536	100.0
99.08097	15.3
105.07024	25.8
107.04961	12.8
107.08583	30.8
109.06511	30.1
109.10141	13.8
111.08078	6.0
113.05995	9.3
115.07569	64.3
117.07000	12.8
119.08579	26.2
121.06535	9.4
121.10126	19.8
123.08031	10.1
129.07004	9.9
130.57034	4.6
131.08577	30.6
133.10101	12.1
135.08035	14.6
135.11664	11.8
145.10095	15.4
147.11717	6.0
149.09641	12.0
149.13277	11.3
158.98210	4.9
159.11708	13.5
161.09645	5.5
171.11734	7.3
173.13371	6.7
175.11131	6.3
177.12715	13.8
195.13803	14.1
211.13235	7.6
221.15242	5.4
223.13300	13.2
239.16351	7.9
245.18903	5.3
261.48926	4.5
273.18408	14.0
291.19562	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	344.2434
Annotation	Broussonetine V
Peak:m/z	Relative Intensity
52.83613	0.6
55.01873	1.4
55.05515	3.3
56.05027	1.5
57.03435	0.8
57.07072	0.8
60.04528	27.5
63.53789	0.6
67.05506	6.0
68.05025	1.1
69.03433	1.2
69.07069	4.2
70.06595	0.6
70.96091	1.1
71.04977	1.0
72.04524	2.6
72.69512	0.5
73.02931	0.7
76.45770	0.6
79.05496	5.7
80.05024	3.9
81.03413	1.4
81.07050	6.8
83.04964	2.8
83.08609	1.4
83.95541	0.5
84.04503	1.5
85.06529	1.3
90.05563	4.2
91.05484	3.4
92.04989	0.6
93.07048	6.4
94.06554	2.2
95.04950	0.9
95.08614	6.5
95.28634	0.5
96.04502	3.5
96.08155	0.8
97.06523	2.3
97.10140	1.2
98.06046	1.3
102.05511	0.8
105.07026	1.9
106.06552	8.5
107.04953	0.7
107.08585	2.2
108.04473	0.9
108.08131	1.3
109.06496	0.6
109.10143	2.3
110.06018	1.7
111.11666	0.6
114.05524	1.0
116.07037	0.5
117.07056	0.6
118.06541	1.6
119.08578	2.2
120.08105	4.4
121.06549	0.7
121.10172	3.5
122.06014	2.1
123.11739	0.7
124.03950	0.5
124.07584	2.5
130.04996	1.9
131.08583	1.1
132.06580	13.0
132.08110	1.0
133.10136	1.3
134.09654	2.6
134.19528	0.5
135.08060	0.6
135.11705	0.7
136.07578	5.3
137.06021	1.0
138.09146	0.6
139.11105	0.6
142.08601	1.2
145.10072	0.7
147.11700	1.0
148.07565	0.8
148.11209	0.8
149.13264	1.3
150.09119	3.0
151.14804	0.5
152.10680	0.6
154.08646	2.5
160.07666	0.6
162.09091	1.5
163.14725	0.5
164.10735	1.5
165.35507	0.5
167.14384	2.7
172.11168	0.8
175.14845	2.6
176.10722	0.9
177.16399	0.7
180.10330	0.6
188.10658	1.2
190.12265	0.6
193.15886	3.8
232.20583	0.7
235.16914	0.6
242.19102	1.2
248.20180	1.4
260.20181	6.7
266.21158	3.7
272.20038	5.0
278.21146	7.4
290.21152	9.0
308.22202	14.6
326.19354	1.1
326.23254	23.2
344.24323	100.0
345.24680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Broussonetine V
Peak:m/z	Relative Intensity
55.01864	2.6
55.05520	4.2
56.05028	1.7
57.03428	1.5
60.04527	16.7
60.97675	0.6
65.03927	0.9
67.05228	0.6
67.05511	6.5
68.05025	2.3
69.03409	1.4
69.07082	1.0
70.06583	2.7
70.80549	1.2
70.80882	0.9
71.04989	2.2
72.04495	2.4
72.08161	0.9
79.05489	4.9
80.05018	8.7
81.03419	0.9
81.07068	4.7
81.93859	0.6
82.06567	2.4
83.04961	1.1
84.04507	0.9
85.06533	1.0
86.09708	1.9
89.62157	0.6
90.05560	1.4
91.05486	5.8
93.07053	6.3
94.06571	8.8
95.04971	1.5
95.08624	3.8
96.04492	0.8
96.08114	1.7
96.86360	0.6
97.06531	4.8
98.06032	2.8
101.06016	0.8
105.07023	3.3
106.06570	1.4
107.08590	2.3
108.08133	1.2
109.06522	1.0
110.06052	3.3
111.08078	2.7
114.05525	1.4
116.07081	1.9
117.07021	1.5
119.08585	2.7
120.08109	2.9
121.10115	1.5
122.09671	0.8
129.06964	0.7
131.08565	1.5
132.06563	5.5
133.10155	1.2
134.09607	2.0
135.11656	1.3
137.09659	1.4
141.19592	0.6
145.10123	1.3
146.09702	0.8
156.86131	0.7
172.09691	1.4
190.02361	0.7
192.13844	0.7
198.45097	0.6
222.18497	1.4
224.19974	0.7
234.18500	2.8
237.70149	0.6
244.17006	0.8
252.19624	7.0
260.20169	1.0
270.20810	1.1
272.20099	1.4
290.21146	3.9
308.22171	4.6
326.20001	1.7
326.23254	52.4
344.24316	100.0
345.24725	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.1
54.06679	3.3
55.01868	5.9
55.05265	4.3
55.05515	59.0
56.96563	8.1
57.03435	16.7
67.05500	30.8
69.03433	15.7
69.07060	16.6
70.29889	10.7
70.30244	4.8
71.04987	5.8
79.05064	5.5
79.05499	82.1
81.03425	17.5
81.07059	36.2
83.04976	6.4
83.08627	28.8
85.06515	5.1
86.06065	8.2
91.05482	24.1
93.07047	100.0
93.38879	3.7
95.04963	11.7
95.08612	32.8
97.06541	5.9
97.10173	66.1
98.97588	9.9
101.06002	3.7
105.04504	5.5
105.07011	14.4
107.04952	5.5
107.08624	24.9
109.06522	4.1
109.10168	8.1
111.97863	3.7
112.07637	16.2
117.07028	6.8
119.08584	12.9
121.10131	46.9
123.08102	20.4
125.09644	55.2
131.08565	7.5
135.08009	3.8
135.11703	3.8
137.09579	5.0
139.11189	4.4
139.69493	3.5
140.07054	9.3
141.09097	10.4
145.10135	6.9
147.07964	3.9
147.11729	5.0
153.09126	7.6
171.10104	7.7
189.11217	71.7
193.12358	3.8
221.15396	20.1
223.13277	21.8
239.16499	4.4
246.15863	9.2
254.13551	12.8
260.64560	3.8
273.18289	15.9
291.19586	19.7
300.18436	3.6
302.59641	5.3
309.20544	22.3
326.23312	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	344.2431
Annotation	Broussonetine U
Peak:m/z	Relative Intensity
51.64558	0.5
53.03936	0.8
55.01867	2.3
55.05509	5.3
56.05024	1.7
57.03428	1.1
60.04224	0.8
60.04526	15.5
67.05508	7.2
68.05016	1.9
69.03416	1.2
69.07062	1.1
70.06585	2.2
70.69355	1.0
71.04980	1.9
72.04498	1.7
73.06539	0.8
74.06075	0.6
78.16025	0.5
79.05127	0.5
79.05501	5.4
80.04639	0.7
80.05027	7.8
81.03398	1.0
81.07057	7.9
82.06586	3.8
83.04977	2.9
84.04493	1.4
84.08136	1.0
85.06531	2.9
90.05533	1.2
91.05474	7.6
93.07051	4.8
94.06570	8.3
94.08952	0.5
95.04948	1.4
95.08617	5.3
96.04481	0.5
96.08133	1.8
97.06511	1.3
98.06039	3.9
101.06006	0.9
103.05470	0.7
105.07018	3.8
106.06538	1.5
107.08604	2.5
109.06513	0.6
109.10091	0.7
110.06027	2.1
111.08093	4.9
112.07617	0.9
114.05528	1.1
116.07072	1.7
117.07005	2.0
119.08578	4.0
120.08093	2.3
121.10150	2.1
123.08062	0.6
124.07614	0.9
128.07092	1.0
131.08546	1.8
132.06566	5.6
132.08078	1.0
133.10117	1.8
134.09621	1.5
135.11674	0.8
136.11212	1.1
137.09584	1.2
138.09149	0.7
145.10069	1.2
146.09612	0.8
147.11687	0.7
158.08072	0.6
172.09695	1.4
174.12743	0.9
177.12790	0.6
199.14775	0.5
203.97461	0.5
222.18539	0.8
224.20032	0.6
234.18555	3.4
252.19586	9.6
254.17368	0.9
260.20013	0.9
261.17859	0.5
262.18195	0.6
265.80905	0.5
270.20651	1.3
272.20093	1.2
290.21039	3.2
298.20041	0.8
308.22150	3.7
326.19998	1.4
326.23251	38.4
344.24307	100.0
345.24557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
50.44469	0.4
53.04017	0.4
55.05348	0.6
55.05587	1.4
56.96608	0.5
57.03489	0.7
57.17622	0.5
60.04595	0.7
63.14266	0.4
66.96537	0.4
67.05274	0.5
67.05586	1.7
69.03499	0.5
69.07140	1.2
69.27332	3.9
77.52190	0.4
79.05115	1.0
79.05594	5.1
79.42235	0.4
80.05086	0.5
80.26890	0.6
81.07074	2.6
83.05050	0.8
84.08230	0.5
91.05492	5.1
93.07150	3.4
94.06635	0.5
95.05020	0.7
95.08714	2.6
97.06615	0.7
98.00234	0.4
98.06086	0.5
98.21499	1.0
98.97666	0.9
103.05473	9.1
105.07037	3.5
107.04955	5.5
107.08588	2.8
108.08118	12.9
109.09013	0.9
109.10258	1.3
110.09077	0.5
110.09790	1.3
110.69794	0.4
117.07111	0.7
119.08673	0.9
120.08125	2.7
121.06605	0.5
121.10213	0.6
122.09677	9.3
123.10551	1.9
130.06583	2.4
131.04929	4.7
131.08676	0.9
132.06641	0.7
132.08070	2.4
133.10245	0.9
134.09727	0.7
135.11664	2.4
136.11208	4.0
137.13373	1.0
145.10188	0.5
150.12787	22.8
151.13564	7.4
152.14346	3.5
158.09782	0.7
161.13336	0.6
164.14473	0.7
166.08728	0.6
166.12349	0.9
170.09651	0.4
180.10223	4.8
200.14452	1.2
226.15854	0.7
228.10269	2.1
230.11765	0.5
246.11258	0.6
246.15016	1.5
254.19122	3.7
264.11166	0.5
270.15002	1.9
272.20093	0.5
290.20993	0.5
298.17917	0.9
300.19589	100.0
301.19864	1.1
302.21179	3.6
308.22205	0.5
326.23349	1.3
344.22150	76.9
345.22351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01870	3.2
55.05505	2.8
56.96565	3.7
57.03444	2.1
57.07061	1.3
59.04992	0.9
60.04520	2.1
65.03941	0.9
67.05508	18.6
69.03436	3.1
69.07076	4.2
70.06602	1.6
71.04990	1.9
71.57264	1.3
72.04519	1.2
72.08152	1.3
79.05503	16.0
79.62160	0.9
80.05032	0.9
81.03427	7.0
81.06593	0.9
81.07064	16.3
82.06591	1.0
82.07363	1.1
83.04984	4.7
83.08608	2.3
84.04477	2.0
84.08100	1.0
85.06557	6.9
86.06073	13.7
87.04479	7.5
91.05476	10.4
93.07061	12.2
94.06532	1.0
95.01335	1.5
95.04977	10.3
95.08620	4.7
97.06534	8.7
98.06070	0.9
98.97581	2.3
99.08104	1.1
103.05437	1.2
104.07124	6.5
105.07034	4.8
107.04963	20.7
107.08607	8.0
108.08176	1.3
109.02843	0.9
109.06517	3.8
109.10136	2.2
111.04449	3.8
111.08086	1.8
113.06010	12.5
113.11755	0.9
117.07018	6.8
119.08567	7.6
120.08114	0.9
121.06507	2.3
121.10147	15.8
123.04423	1.0
123.08071	1.1
124.07614	1.9
125.05942	0.8
125.09637	1.3
129.07008	3.2
130.07776	1.4
131.04947	3.0
131.08566	5.4
133.10155	1.6
135.08043	1.4
135.11702	10.5
143.00154	1.5
145.06525	4.3
145.10130	18.3
145.11272	0.9
147.04439	1.2
149.09669	1.5
151.79207	0.8
153.12674	1.2
154.13411	1.0
155.08586	5.8
163.03981	1.3
163.11172	19.8
164.93039	0.8
173.09645	17.2
181.12213	2.2
191.10713	8.0
195.13818	2.1
208.13391	0.9
209.11662	1.3
215.56595	1.0
223.13336	1.1
227.12813	6.5
230.74997	0.9
231.01860	1.2
241.14325	2.1
273.18546	3.2
276.15955	2.0
291.19623	7.6
300.19553	5.4
308.22296	2.7
309.20633	2.6
326.19653	100.0
326.23123	5.1
327.19809	1.4
344.21597	3.3
344.25528	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12087	0.3
53.03958	0.4
55.01880	0.6
56.05040	0.5
57.03446	1.0
61.02934	1.4
65.03963	0.4
67.05496	0.5
69.03432	3.7
70.06590	2.2
71.00521	0.9
71.05000	0.5
73.02917	1.0
81.03413	1.8
84.08154	1.3
85.02905	17.0
86.09709	1.8
91.03988	0.8
91.05486	4.0
95.08560	0.4
97.02908	3.3
99.04469	0.8
104.05368	0.3
109.02891	1.6
116.07087	1.0
118.44939	0.3
119.04944	16.5
123.04440	1.8
127.03925	3.0
129.10233	1.8
139.44846	0.3
145.04979	3.9
147.04413	100.0
148.04744	0.7
163.06053	0.5
165.05479	59.1
166.05940	0.3
172.11638	0.7
180.08652	2.4
182.08121	1.1
211.13290	0.3
217.13731	1.3
221.63629	0.4
246.16985	0.7
254.92932	0.4
297.60645	0.3
309.09848	0.6
326.23233	0.4
344.13400	1.9
344.24203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04122	0.4
53.82990	0.4
55.01872	0.8
55.05512	1.2
56.05029	1.4
56.33051	0.4
56.96563	2.8
57.03423	1.1
60.04533	4.8
61.02921	0.7
67.05515	0.7
68.05016	1.0
69.03440	3.0
69.07066	1.6
70.00201	1.5
70.00616	0.8
70.06253	0.7
70.06598	8.5
72.04514	1.0
72.08154	2.0
73.02912	1.1
79.05490	1.0
80.05024	4.9
81.03416	1.4
81.07043	2.0
82.06570	1.6
83.06109	0.8
83.07378	3.9
84.04497	1.6
84.08150	4.4
84.96053	0.6
85.02916	6.0
86.06063	0.7
86.09686	1.5
91.05470	2.1
93.05768	0.5
93.07039	1.3
94.06581	2.5
95.08618	0.7
96.07557	0.7
96.08139	9.6
97.02894	3.4
97.08923	1.9
98.06077	0.7
98.09708	0.5
98.97588	4.7
99.04483	0.5
102.05538	0.5
105.07030	0.7
106.06571	1.1
107.08575	0.5
108.08130	0.7
109.02875	1.4
110.06040	1.0
110.07178	1.1
110.09663	3.8
110.97601	1.3
114.05534	1.0
116.07063	1.1
116.98608	1.6
119.01894	0.6
119.04930	1.7
120.08128	1.0
122.09670	1.0
124.11241	0.8
124.99154	0.5
127.03892	2.4
128.98595	1.4
129.10257	1.5
132.06560	6.3
134.09720	0.8
136.07564	1.5
136.11220	1.3
138.12770	0.6
139.03925	0.7
145.04974	1.3
146.99701	0.9
147.04436	7.2
149.01126	0.5
150.12762	1.5
151.03931	0.8
152.14363	1.0
158.99644	1.3
162.12869	0.5
164.02296	0.5
164.14403	1.1
165.05489	2.2
170.99651	0.7
173.53023	0.5
176.14412	1.0
177.00677	0.6
178.15935	1.7
180.17403	0.9
188.14395	0.8
189.00684	1.0
190.15977	0.5
191.54149	0.6
192.17474	1.9
194.19084	3.5
200.14116	0.6
204.17627	0.8
206.19044	0.8
210.18552	9.3
219.01817	1.1
221.20113	0.9
223.21713	1.4
228.13443	1.0
233.20041	1.0
236.20088	6.0
237.02884	1.1
237.23415	0.7
239.21355	0.7
246.11488	0.5
247.21707	11.4
248.20164	1.6
249.23306	0.9
251.21259	3.0
252.55879	1.6
259.21750	12.2
260.20126	0.7
261.23352	1.5
261.56458	1.4
262.06659	0.9
266.21176	2.8
271.21744	3.5
272.20013	0.7
277.22766	6.0
289.22766	8.7
307.23819	0.6
325.18774	0.7
325.21954	0.4
325.24860	15.9
343.25955	100.0
344.26047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01869	2.4
55.05511	10.9
55.63893	2.2
57.03439	5.0
57.07070	6.7
59.04991	4.2
65.03931	2.0
67.05506	17.9
69.03415	7.5
69.07067	4.3
71.05000	15.0
79.05503	14.9
81.03416	2.1
81.07065	18.4
83.04984	6.6
83.08618	2.6
91.05486	25.7
93.06475	3.1
93.07050	51.8
95.04978	36.5
95.08613	50.8
97.06536	10.9
102.03671	1.8
103.05457	1.8
105.07034	50.3
107.04910	3.1
107.08600	39.2
109.06516	12.9
109.10153	3.8
115.05476	3.3
117.07030	17.7
119.08587	20.0
121.06507	14.8
121.10173	14.0
123.08096	16.3
129.07011	4.6
130.07796	12.3
131.08551	6.6
133.06473	5.6
133.10127	12.1
135.08084	16.9
135.11696	14.0
137.09592	4.0
142.07811	2.4
143.08537	6.8
145.10136	60.7
147.08028	10.8
147.11687	4.3
149.09602	3.4
151.07550	32.1
153.09102	2.8
155.08574	2.6
157.10136	8.2
159.08095	2.7
159.11699	7.5
161.09612	5.9
161.13258	2.5
163.11188	42.9
165.09137	12.4
169.10091	3.7
171.11723	5.6
173.09637	4.1
173.13240	2.2
175.11180	5.2
177.09158	4.0
181.12280	2.9
185.09590	2.4
185.13271	4.1
187.11159	4.3
189.12738	7.4
197.13234	3.5
201.12729	2.8
203.14319	6.5
207.10141	2.7
207.13800	5.8
209.15268	4.0
211.11095	2.5
213.12706	2.4
215.14209	2.7
217.12170	3.2
221.15367	26.5
233.15407	4.5
241.15681	2.8
263.16519	4.8
269.15387	2.9
286.19223	4.1
325.21472	12.0
343.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	3.9
55.01863	7.3
55.05519	13.0
57.03426	5.7
57.07066	6.3
58.43255	1.8
59.04984	5.0
63.47852	2.2
65.03944	1.8
67.05511	21.6
69.03413	7.3
69.07059	8.9
69.86615	9.9
71.05002	12.6
74.15425	2.0
74.76786	1.8
79.05508	18.9
81.03400	2.8
81.07068	22.0
83.04998	4.9
83.08617	3.8
85.06534	4.7
91.05480	26.0
93.06484	2.8
93.07051	45.9
95.04979	44.2
95.08609	61.3
97.06529	13.9
97.10147	7.5
103.05480	2.1
105.07032	63.9
107.04938	3.1
107.08598	50.8
108.08932	5.1
109.06509	12.0
109.10134	3.6
109.48866	1.8
111.08085	2.2
115.05448	6.6
117.07015	24.8
119.08588	23.6
121.06500	11.4
121.10126	12.6
123.08068	20.5
125.09599	4.9
126.09937	2.7
128.06171	2.5
129.07001	4.9
130.07796	9.5
131.08586	8.1
133.06441	5.8
133.10118	11.9
135.08043	18.8
135.11684	14.4
137.06010	2.9
137.09650	2.8
143.08542	9.0
145.10130	62.2
147.08038	7.7
147.11694	6.3
149.09627	6.1
151.07538	33.9
153.09142	3.7
157.10132	7.7
159.11702	6.2
161.09654	5.7
161.13264	3.4
163.11198	53.0
165.09123	14.6
171.11723	4.7
173.09558	2.6
173.13274	3.7
175.11205	3.6
177.09077	4.4
179.06985	2.7
179.08604	2.2
181.09970	2.4
183.11597	2.9
187.11217	4.9
189.12775	6.9
191.14275	3.8
197.13332	3.8
203.12695	4.5
203.14281	6.3
204.13150	6.4
207.13815	6.2
209.15305	3.8
215.14406	5.5
217.12257	2.7
221.15373	25.4
225.12718	2.3
245.15529	2.2
258.19263	3.2
263.16315	5.8
269.15381	4.3
276.20285	4.5
286.19211	6.0
290.21817	2.5
308.22906	2.9
325.21667	6.6
343.18750	60.7
343.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02381	1.8
53.03943	3.2
55.01855	3.8
55.05511	12.0
57.03420	6.2
57.07064	7.0
58.52111	1.8
59.04984	3.5
65.03926	2.4
67.05501	25.0
69.03434	10.4
69.07056	6.3
70.80867	4.8
71.04995	17.4
76.29285	1.7
79.05492	19.8
81.03403	2.7
81.07056	27.4
83.04988	4.3
83.08569	2.8
85.06548	3.3
91.05482	27.7
92.71414	2.3
93.06482	2.8
93.07047	55.8
95.04974	45.3
95.08611	71.5
97.06549	13.5
100.79594	1.6
103.05455	3.6
105.07031	72.2
107.04964	3.2
107.08595	45.9
109.06513	12.7
109.10158	7.2
115.05451	3.8
117.07017	26.6
119.08578	22.2
121.06516	15.0
121.10168	14.6
123.08072	24.9
125.06025	2.4
128.06267	2.4
129.06976	6.3
129.35118	1.8
130.07808	13.7
131.08575	10.7
133.06467	4.1
133.10123	16.9
135.08066	19.5
135.11713	12.3
137.05997	2.4
137.09607	4.3
142.07765	3.6
142.19595	1.6
143.08545	11.9
145.06427	2.6
145.10132	69.1
145.11299	4.0
147.08051	11.1
147.11665	6.7
149.09637	5.5
151.07544	40.1
153.09052	4.0
157.10107	8.3
159.08078	4.8
159.11691	8.4
161.09636	7.0
161.13286	4.8
163.07594	2.2
163.11185	59.3
165.09134	12.9
169.10115	4.0
171.11729	4.8
173.09654	4.2
173.13297	3.6
175.11191	6.8
177.09148	5.4
178.98045	2.0
179.07043	4.9
179.10785	2.3
181.10172	2.8
182.10959	2.2
183.11717	4.2
185.09732	2.1
185.13281	2.2
187.11234	4.3
189.12743	5.7
191.14374	3.7
195.11684	2.0
195.99124	2.0
197.13315	3.2
197.73994	1.9
201.12767	2.9
203.14299	7.9
207.10092	2.6
207.11827	3.0
207.13799	5.1
209.15254	4.2
213.12602	2.2
215.14362	4.0
221.15395	26.3
223.14919	2.7
233.15291	2.9
238.79597	2.0
245.15489	2.6
246.75378	1.9
250.59549	1.8
255.44865	1.9
263.16418	5.8
269.15387	2.6
286.19339	3.7
287.16312	2.7
307.20532	2.1
323.65356	2.0
325.21811	13.0
343.19205	3.9
343.22659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	4.8
55.01865	5.8
55.05503	15.9
57.03416	5.8
57.07068	5.7
59.05001	3.6
67.05516	29.5
69.03432	8.0
69.07069	7.8
69.55313	16.6
71.05007	14.5
77.03942	3.0
79.05491	20.8
81.07066	21.4
83.04960	6.2
83.08607	4.2
91.05486	27.3
93.07050	59.4
95.04977	52.2
95.08052	5.0
95.08614	66.4
97.06546	16.7
105.07034	73.6
107.04977	4.4
107.08599	41.2
109.06519	13.0
109.10184	7.6
115.05487	2.5
117.07023	24.3
119.08586	26.2
121.06514	13.6
121.10178	13.5
123.08084	25.1
128.06210	5.1
129.07005	4.0
130.07802	19.5
131.08553	9.2
133.06509	7.7
133.10155	15.3
135.08066	19.3
135.11734	14.3
137.09613	5.2
142.07727	3.7
143.08563	8.6
145.10136	70.1
147.08051	9.7
147.11670	5.3
149.09636	4.8
151.07559	38.6
153.09157	5.2
155.08524	3.4
156.09349	4.2
157.10123	7.6
159.08069	5.0
159.11694	11.3
161.09636	9.7
161.13248	4.0
163.11176	59.2
165.09164	12.0
169.10114	4.4
171.11765	8.0
173.09689	7.4
173.13290	4.4
175.11258	4.5
177.09117	4.6
181.12186	4.2
183.11710	6.4
187.11186	3.1
187.14766	3.1
189.12776	6.8
191.10645	3.1
191.14337	4.4
197.13287	5.5
199.14935	3.6
203.14351	8.4
207.13821	5.2
209.15323	3.2
221.15344	25.6
223.14857	2.9
225.16270	3.2
263.16464	4.7
286.19528	3.9
287.16647	4.2
325.21692	12.2
343.22726	100.0
343.26901	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	343.2117
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
53.03944	6.5
55.01878	11.7
55.05517	35.4
56.96569	5.9
57.03440	19.7
59.05003	2.1
60.04529	2.2
66.57513	1.6
67.05513	33.7
69.03429	5.5
69.07062	11.4
70.16276	6.5
71.04995	4.9
72.80512	1.6
79.05493	19.6
81.03423	31.4
81.07063	28.0
83.04982	8.9
83.08624	22.9
84.08196	1.4
85.02897	2.4
85.06536	11.7
91.05479	16.3
93.07059	18.4
95.04981	23.1
95.08610	14.4
96.08170	2.1
97.02895	3.8
97.06541	15.2
97.10181	37.3
98.20878	2.0
98.97598	7.8
102.50698	1.6
105.07019	9.5
107.04961	13.6
107.08609	20.8
109.06526	100.0
109.10155	12.8
111.04469	4.5
111.08073	4.6
113.06009	26.1
115.07556	2.8
116.80157	1.7
116.98685	1.7
117.07030	4.1
119.04933	3.6
119.08591	9.0
121.06510	13.0
121.10179	4.9
123.08073	28.6
125.09641	30.8
126.22805	1.5
129.07013	3.4
131.08597	6.7
133.06499	2.9
133.10146	6.4
135.08043	13.7
135.11705	3.3
137.06000	2.0
137.09621	24.7
139.07570	9.7
141.09123	8.8
143.00186	3.2
143.08583	2.0
145.06526	2.3
145.10181	3.3
147.04422	10.5
147.08032	4.1
147.11694	3.2
148.04692	2.4
149.09613	3.7
151.07585	5.1
153.09177	7.6
155.10681	7.5
158.99698	5.3
159.08089	24.4
159.11693	2.4
161.09671	3.6
163.03906	2.6
163.07556	4.1
163.11209	4.3
165.09244	2.7
169.08690	2.4
169.10110	3.7
171.10197	4.0
173.09612	2.1
175.11087	2.0
177.00639	1.9
185.09676	2.0
189.11234	29.1
189.12796	1.5
191.10660	3.3
193.12231	2.9
193.54427	1.7
199.11185	4.0
211.13298	4.8
215.06609	2.2
215.14307	2.9
215.18388	3.5
221.11589	2.4
233.15402	6.5
235.13295	4.8
235.16936	9.4
237.14951	4.6
243.17458	2.1
247.55669	1.9
251.16489	2.8
253.15898	7.4
253.18207	3.1
261.18512	5.1
271.16992	13.8
289.18011	46.2
293.08542	1.8
302.09259	2.6
307.19070	37.5
325.20117	7.2
343.13507	3.6
343.26056	5.7
344.24307	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82317	3.4
55.01868	5.5
55.05507	12.0
67.05497	20.5
69.07075	19.2
69.07395	4.6
69.36425	18.7
69.36842	7.5
79.05494	23.4
81.03407	4.0
81.07066	68.6
83.04986	3.8
83.08611	12.7
85.06536	4.2
87.38359	3.5
91.05489	18.3
93.07061	18.5
95.04970	10.9
95.08614	21.4
97.06517	9.1
97.10194	3.9
99.08083	8.5
105.07040	15.5
107.04953	6.2
107.08594	14.1
109.06523	29.6
109.10150	6.2
114.65199	3.7
117.07001	5.5
119.08579	14.7
121.10163	10.6
123.08044	7.7
125.09585	4.2
131.08583	10.0
133.10170	14.5
135.11638	4.3
137.09552	3.1
145.10129	10.9
147.11678	15.7
149.09625	8.7
149.13257	9.7
151.11104	4.2
159.11751	8.6
161.13254	4.5
163.11201	8.4
165.12799	5.0
173.13246	3.5
177.12834	6.9
183.06743	3.1
187.11182	3.4
191.71065	3.2
193.12270	4.8
239.18050	5.8
247.20598	7.0
257.19043	7.7
275.20078	100.0
293.21140	12.3
296.71722	3.0
307.22647	48.4
342.25153	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	342.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.3
54.38581	0.3
55.01870	0.4
55.05511	1.8
57.07082	6.4
58.06592	1.0
62.06097	2.4
67.05506	1.6
69.07064	1.3
71.08634	3.7
71.57372	0.5
72.08145	1.3
79.05478	1.5
80.22031	0.2
81.07062	1.4
83.04983	0.4
83.08618	1.0
85.06545	0.3
85.10169	0.6
91.05472	1.0
93.07050	1.7
95.05017	0.4
95.08597	1.1
96.28555	0.3
97.06504	0.4
97.10129	0.4
105.07014	1.1
107.08598	1.4
109.10159	0.8
111.08102	0.6
117.06990	0.3
119.08572	0.8
121.10129	0.7
125.09656	0.4
137.09642	0.5
147.11641	0.3
149.09634	0.4
156.17496	1.4
166.72881	0.3
170.19160	0.5
174.18552	4.7
203.12762	0.7
207.41829	0.3
212.23737	0.9
230.24797	3.7
275.20013	1.1
307.22821	0.4
324.36246	1.1
342.37326	100.0
343.37646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.0
55.01873	7.1
55.05518	29.8
65.03967	6.3
65.43367	3.5
65.78632	3.8
67.05174	6.2
67.05509	93.6
69.03416	12.1
69.07072	38.3
70.17790	11.9
79.05497	79.7
81.03413	7.7
81.07064	78.1
83.04990	7.5
83.08604	16.2
91.05489	70.0
93.06474	6.8
93.07049	100.0
95.04957	25.3
95.08608	44.5
97.06546	20.8
97.10169	12.1
105.07037	62.8
107.04945	6.8
107.08601	53.1
109.06538	10.6
109.10151	25.9
111.08098	5.4
117.07008	11.9
119.08588	47.3
120.21202	4.6
121.06507	7.1
121.10133	32.1
122.47069	4.0
123.08049	11.8
123.11700	4.9
125.09636	7.1
127.49666	4.1
129.07002	6.0
131.08534	23.3
133.10133	49.4
135.08064	9.1
135.11716	33.3
137.09625	10.9
143.08429	6.0
145.10098	27.2
147.11723	22.3
149.09593	9.4
149.13280	14.5
151.11182	4.9
154.56976	3.9
157.10129	6.3
159.11720	13.9
161.13245	9.2
163.11179	9.6
164.25447	4.7
169.10315	6.1
171.11748	8.4
173.11787	4.9
173.13263	8.9
177.12735	6.7
181.12244	10.2
195.13783	15.8
199.15010	6.1
201.12697	4.0
203.12799	6.8
216.28398	4.7
217.15913	6.0
229.19516	4.5
235.16997	7.8
239.17924	6.9
247.20732	4.6
257.19073	9.4
265.18005	5.6
275.20071	51.1
285.67593	4.5
289.21664	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01860	1.2
55.05515	2.4
56.05018	1.1
56.96574	0.5
57.03421	0.4
57.07059	1.2
58.02935	0.3
60.04253	0.5
60.04528	5.3
60.88053	0.3
67.05511	2.5
67.09891	0.3
68.05025	0.7
69.03429	0.8
69.07062	0.8
69.39648	0.8
69.40057	1.6
70.06574	1.1
71.04987	1.2
72.04508	1.1
72.08129	0.7
72.67572	0.3
79.05494	3.8
80.05014	2.2
81.03402	1.2
81.07055	2.8
82.06570	1.0
83.04980	1.1
83.08613	0.5
84.04488	1.3
84.08111	0.6
85.02882	0.5
85.06564	1.9
86.06055	1.4
86.09695	1.1
91.05479	2.8
91.91059	0.3
93.07047	4.6
94.06550	0.9
95.04951	1.2
95.08608	1.8
96.04477	1.3
96.08099	0.3
97.02900	0.6
97.06509	0.5
98.06026	0.8
101.06008	0.5
102.51245	0.3
104.02084	0.3
105.07037	1.7
106.06551	0.7
107.04926	0.3
107.08600	1.1
108.08121	0.9
109.06496	0.4
109.10113	0.7
110.06033	1.3
110.09682	0.7
111.08080	3.5
113.09608	0.6
114.05533	1.6
116.07130	0.3
117.07032	0.7
118.06513	0.4
119.08592	1.3
120.08078	1.2
121.06485	0.4
121.10146	1.0
122.06037	0.4
122.09645	1.0
123.08065	0.4
124.07590	0.9
125.09615	0.4
127.11224	0.6
130.05003	0.5
131.08559	1.0
132.06566	6.2
132.08067	0.5
132.10149	0.4
133.10147	0.9
134.09634	1.9
135.08029	0.4
135.11679	0.5
136.07587	1.1
137.05995	1.3
137.09634	0.9
138.06322	0.7
138.09132	0.5
143.08533	0.5
145.10129	0.6
146.09637	0.8
147.11604	0.4
148.07599	0.4
148.11238	0.6
149.09586	0.3
149.13133	0.3
150.09120	0.6
151.11201	0.5
152.10696	0.5
158.08170	0.6
159.11665	0.5
160.11221	1.2
162.09126	0.4
164.10776	0.5
168.13823	0.4
170.09621	0.4
171.06839	0.3
172.09723	3.0
172.11137	0.4
175.07611	0.4
175.14735	0.3
176.10716	0.6
177.12856	0.5
178.12292	1.0
188.10706	1.4
190.12221	0.3
193.12271	0.6
196.13416	0.7
206.11758	1.1
208.13344	0.5
211.13254	0.7
212.12730	0.6
214.14447	1.6
224.12819	10.0
226.14180	0.4
230.13846	1.1
232.16805	0.4
242.13876	19.7
250.18048	0.9
252.09267	0.7
252.59813	0.4
268.19208	0.4
288.19537	1.4
297.07559	0.4
306.20657	1.8
316.62885	0.4
324.21701	10.7
342.22760	100.0
343.08139	1.2
343.23102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05508	7.5
57.03419	2.2
67.05495	3.1
69.03415	0.9
69.07058	2.2
70.06584	1.3
71.04987	0.8
71.08636	4.6
71.56933	1.5
72.08150	1.0
72.27493	0.7
79.05488	3.4
81.03417	1.2
81.07060	6.2
83.04989	7.1
83.08617	2.3
84.08162	1.3
85.02905	1.2
86.06068	12.3
86.40625	0.7
91.05481	2.9
93.07043	5.0
95.04959	1.2
95.08591	3.0
95.58163	0.7
96.08134	6.3
97.06524	1.8
97.10142	1.0
98.09706	10.0
98.97597	1.0
99.04411	0.8
99.08094	1.7
101.06037	4.8
105.07023	1.5
107.04951	1.3
107.08595	3.6
108.08096	2.0
109.06473	0.8
109.10148	1.8
110.06020	0.7
111.04450	9.3
111.08089	1.0
112.07645	1.0
114.09219	0.8
116.10737	24.0
117.07000	1.3
119.08594	5.7
121.06506	0.7
121.10176	2.4
122.09652	1.0
123.08092	1.0
124.07613	1.7
125.09595	1.6
129.05464	1.2
134.09648	1.4
135.08017	0.8
135.11670	1.3
136.11182	0.9
137.05971	1.8
137.09607	1.5
142.08650	11.1
142.12254	1.2
143.10663	5.9
145.10133	2.4
146.09618	0.9
147.08131	1.0
149.05789	0.8
149.09596	0.9
153.12738	1.2
154.08609	0.7
154.15961	0.9
155.07025	2.0
163.03856	0.8
163.11176	5.4
164.10732	4.7
173.08211	1.6
173.09604	1.3
180.13785	1.2
181.12230	2.3
182.15361	4.2
184.13336	1.3
187.62035	0.7
190.12274	3.5
191.10652	2.7
193.60327	0.7
196.16951	2.5
198.14919	2.2
208.13419	4.9
209.11691	5.6
214.18019	38.2
215.06743	0.8
226.14374	32.0
227.12794	8.0
244.15457	100.0
245.15694	0.9
289.17999	3.3
307.19034	3.2
324.21490	1.0
342.22852	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.1
55.01860	10.1
55.05513	40.9
56.96562	17.1
57.03433	9.1
67.05519	42.6
69.03415	10.3
69.07072	20.8
70.20656	11.4
70.21059	8.1
71.04975	10.7
79.05499	38.7
81.03425	28.4
81.07065	59.0
83.04993	100.0
83.08623	15.6
91.05499	29.8
93.07066	30.8
95.04992	26.3
95.08582	25.6
97.06552	35.2
97.10170	14.5
98.97581	16.0
99.04435	7.4
105.07044	32.9
107.04965	13.1
107.08623	25.8
109.06538	7.8
109.10166	20.7
111.04423	8.7
111.08096	11.2
117.07056	12.5
119.08562	19.9
121.06509	11.1
121.10112	7.5
123.08056	21.3
125.05977	7.2
125.09643	10.4
128.85260	5.3
129.06978	6.9
131.08574	9.6
133.06516	6.6
133.10135	30.3
135.08046	9.7
135.11694	10.2
137.05965	9.3
137.09625	6.7
139.03961	5.2
145.10109	8.6
147.11690	6.4
149.09657	7.9
151.11189	14.9
161.09633	7.0
163.07593	7.2
163.11217	7.0
171.11772	5.0
187.11009	5.6
190.11548	9.0
193.12166	8.6
207.13762	5.9
235.13315	7.4
237.00613	7.4
240.23433	6.4
243.17236	5.8
255.09570	13.1
261.18549	7.3
264.10193	7.7
266.60303	8.4
271.16943	10.9
289.17957	55.8
292.19882	13.8
295.96057	7.2
307.19058	21.9
342.28647	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21993	7.1
53.03944	11.0
55.01880	16.6
55.05516	94.1
56.96561	20.7
57.03440	30.4
60.04516	7.1
60.88650	6.0
65.03947	6.2
67.05505	82.5
69.03416	19.7
69.07078	55.4
71.04996	15.4
71.56561	7.5
79.05500	77.9
81.03423	28.2
81.07055	63.3
83.04977	22.9
83.08633	50.3
85.02901	15.1
91.05481	59.8
93.07059	43.7
95.01349	19.6
95.04967	59.9
95.08613	26.6
97.02911	9.8
97.06556	52.3
97.10174	64.3
98.97581	14.4
105.07018	35.3
107.04965	38.7
107.08621	48.1
109.02885	9.7
109.06542	40.4
109.10139	16.6
111.04449	8.4
111.08075	11.3
115.07557	15.2
117.07031	12.8
119.08593	35.0
121.02889	49.4
121.06511	41.4
121.10126	13.2
123.04475	19.7
123.08034	13.9
125.09616	47.1
129.07024	10.6
131.08612	22.0
133.06479	10.5
133.10135	20.1
135.08061	33.5
143.08582	9.9
143.10507	7.7
145.06557	11.5
145.10124	11.9
147.08046	9.2
147.11699	32.4
149.09676	9.7
153.09137	10.1
154.98587	8.2
157.10162	14.7
159.08063	100.0
161.91148	6.5
163.07591	12.2
165.55119	6.7
173.13286	8.2
175.07581	7.1
175.11195	18.1
185.09622	12.5
189.11302	62.1
193.12286	30.4
199.11275	10.4
211.11221	9.9
211.13220	16.8
215.14540	7.2
219.13803	16.1
221.11740	50.0
233.15419	14.5
237.14919	17.2
239.12871	24.7
243.17313	9.8
247.13281	21.1
253.15982	17.8
271.17007	24.3
289.18039	57.9
292.50259	7.0
307.19156	13.1
342.13409	6.5
342.23911	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	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19810	0.9
53.03963	1.2
53.12322	0.9
55.01858	1.5
55.05516	8.0
55.82128	0.9
57.03434	2.2
57.07077	9.4
60.04516	1.5
61.02911	1.4
69.03428	4.5
69.31400	8.2
70.06596	3.9
71.04982	1.7
71.90134	0.9
79.05497	4.8
81.03429	1.8
81.07054	5.5
83.08624	4.5
84.04459	1.0
85.02914	12.6
86.09736	1.0
89.06033	29.9
91.03951	1.0
91.05473	1.6
93.07052	3.2
95.08607	1.4
97.02883	3.2
97.06557	1.2
101.09659	13.3
107.07074	32.2
107.08581	2.7
111.08104	5.4
114.05505	1.0
115.26064	1.1
116.07123	1.4
118.42801	1.0
119.08615	1.1
121.10139	1.6
122.99263	1.1
123.11713	2.9
125.09646	1.8
127.03931	2.3
128.07010	0.9
142.08723	1.0
145.04984	1.9
151.11180	0.9
163.13301	100.0
165.12811	1.1
177.85172	1.1
179.14272	1.1
183.13791	1.8
188.09154	1.1
215.35640	1.1
248.49844	0.9
252.09375	1.9
288.19373	1.5
306.20667	2.4
310.20129	7.8
324.21646	13.6
329.51398	0.9
333.12021	1.1
334.96442	0.9
342.22775	12.0
350.68585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01862	17.6
55.05512	70.7
57.03433	9.3
67.05230	3.5
67.05518	40.8
68.30119	3.3
69.03430	7.8
69.07080	23.1
71.00966	7.6
71.04990	5.5
79.05494	46.3
81.03407	13.1
81.07060	100.0
82.07423	4.3
83.04984	12.8
83.08620	34.4
91.05472	23.1
91.21120	3.3
93.07049	29.5
95.04955	19.1
95.08604	42.7
97.06544	13.7
97.10178	64.2
99.08088	34.9
103.05434	3.9
105.07039	23.2
107.04957	10.5
107.08593	34.0
108.15981	4.2
109.06518	11.8
109.10177	14.2
111.04438	10.1
111.08076	10.8
117.07025	11.2
119.08595	21.1
121.06541	8.1
121.10143	11.2
123.08070	38.5
125.09640	60.9
129.06929	5.9
131.08594	11.6
133.10126	9.7
135.08099	19.9
135.11700	6.9
137.06032	5.8
137.09625	10.5
143.08569	5.1
145.10159	11.8
147.08040	10.1
147.11728	6.8
149.09583	5.0
153.09100	7.6
153.12778	5.6
157.10152	8.9
159.11668	6.1
163.11148	20.7
165.09100	9.9
171.11653	5.0
173.13112	4.2
175.11105	3.9
177.12885	3.8
181.10161	4.9
181.12167	6.6
185.13229	3.8
189.11223	20.1
191.10695	5.4
193.12262	12.2
203.12781	35.4
209.11786	4.6
210.23724	3.8
223.13362	3.9
227.12747	9.8
237.14853	5.5
245.19063	4.9
251.16490	4.0
255.17395	6.1
273.18463	31.4
291.16473	7.6
291.19562	91.5
291.22897	5.7
305.21106	25.8
309.20581	5.3
323.22211	47.6
341.21143	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	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01883	1.6
55.05518	4.5
56.96570	2.0
57.03448	2.1
57.74451	0.8
60.04528	3.5
61.02937	1.9
61.04867	1.0
65.40256	0.9
67.05494	2.2
68.05046	1.2
69.03432	7.1
69.07051	1.7
70.06595	6.9
71.04988	2.2
71.56856	1.2
71.97997	0.8
72.08151	3.0
73.02917	2.7
79.05490	4.2
80.49619	1.0
81.03407	2.9
81.07056	3.2
82.06585	1.1
83.06100	2.0
84.08150	6.3
85.02901	12.5
86.09707	3.0
87.00808	1.1
87.04472	1.8
89.06033	2.0
91.05477	12.9
93.07066	6.0
93.97450	0.9
94.35085	1.1
95.04977	1.9
95.06096	3.4
95.08597	1.0
96.04414	0.9
96.06419	1.6
96.08112	1.9
97.02902	4.2
97.06519	1.7
97.08906	6.4
98.97578	1.7
103.03944	3.2
103.05460	3.4
105.07037	53.2
107.04957	1.7
107.08591	2.7
109.02875	0.9
109.06503	2.2
109.10192	1.1
110.07198	2.7
110.09685	5.8
111.04421	1.4
112.08691	1.2
113.03464	2.6
115.05447	2.1
117.06989	2.5
119.04951	2.2
119.08597	9.8
119.86143	0.9
120.08138	2.2
120.08910	1.3
121.06516	6.9
121.10139	1.1
122.03634	3.7
123.04493	1.2
123.08118	1.1
125.06036	1.6
127.03934	2.5
128.06226	2.8
129.06996	3.9
129.10274	2.0
130.04950	1.3
131.04919	5.0
131.08556	6.9
133.02840	1.2
133.06482	1.6
133.10138	86.9
136.07635	1.0
137.05983	33.7
137.09598	1.9
143.08566	4.3
144.05772	1.3
145.06557	2.5
146.07265	11.5
147.04411	6.8
149.06012	2.1
151.07590	2.2
157.06482	2.4
159.08061	1.3
161.09628	100.0
161.13243	2.9
163.07527	3.1
171.08156	1.1
172.05226	2.2
174.06721	4.8
175.07571	4.4
177.05478	1.8
179.03407	9.6
179.10692	8.6
181.08603	3.0
182.12889	1.7
186.16084	2.2
187.07559	16.5
189.05437	1.1
189.09044	4.4
191.06940	1.1
196.05301	1.7
199.07573	1.2
202.07858	1.2
203.08562	3.7
211.07489	3.0
217.08618	8.8
219.07996	4.4
220.08809	2.0
227.06998	2.7
231.07939	5.0
232.09019	2.1
235.07535	1.2
236.08286	1.0
239.07080	1.3
247.07509	2.6
248.08363	6.1
251.10741	3.2
255.06488	3.0
256.07312	1.2
259.07523	2.0
260.08502	1.0
261.09122	1.7
263.10767	6.1
264.07773	2.1
265.08563	1.9
268.07211	1.1
270.08807	6.4
271.09653	5.3
276.07919	3.1
277.22711	1.7
279.10153	4.8
281.08231	1.5
283.09543	1.2
291.10162	14.8
293.08057	2.5
294.19080	1.6
296.10449	3.3
297.11035	1.1
305.04901	1.1
305.22131	3.3
308.10382	1.9
311.12750	6.1
323.12833	14.3
323.23306	3.3
324.19437	1.0
333.09274	1.0
341.14258	7.3
341.24759	27.7
342.22852	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.72395	1.0
53.03936	1.5
66.04726	0.9
69.28722	5.2
69.29134	2.5
71.04955	1.3
72.08145	1.4
79.05492	2.6
81.07048	2.9
81.33974	0.8
84.08129	1.2
86.09705	1.3
91.05470	4.7
93.07051	2.2
94.04182	2.7
95.08588	1.8
99.29636	0.9
103.05473	3.7
105.07067	4.7
107.04963	1.4
107.08540	1.1
109.06521	2.3
109.10168	1.5
113.02374	1.0
115.05439	3.3
117.07043	1.4
119.04973	1.6
119.08549	2.2
120.08860	0.8
122.03642	7.3
128.06224	2.4
129.06987	6.0
131.04936	4.0
132.05733	2.6
133.02850	2.8
133.06483	2.4
137.05984	100.0
143.04877	0.9
144.05731	1.5
147.04398	1.8
147.08037	2.5
147.11688	1.0
149.05966	2.7
151.03885	1.1
151.07562	2.2
153.05568	1.0
157.06583	1.3
159.08035	3.0
160.05219	2.6
161.05971	7.8
162.06651	1.0
163.07524	3.8
164.61775	0.9
165.05458	2.1
167.07077	1.6
169.04993	0.9
171.08020	1.3
172.05186	2.4
174.06767	2.0
175.07564	24.6
177.05490	2.3
177.09073	1.9
179.07076	2.1
184.05087	1.1
187.05869	1.3
187.07555	22.8
189.07127	1.3
189.09100	6.2
190.07750	2.9
191.08601	6.1
192.98459	0.9
196.05133	1.4
199.07571	6.2
202.07811	3.0
203.08565	8.5
205.06535	1.8
211.05600	1.0
211.07462	5.5
213.61003	0.8
217.08681	6.0
218.07271	2.5
219.08066	11.6
220.08853	4.3
225.05363	0.9
227.07068	5.4
231.08037	9.2
232.08777	1.6
235.07510	2.2
236.08289	1.9
237.09108	1.9
239.07062	4.8
240.07814	3.9
241.04886	1.1
245.09509	1.1
246.06792	1.0
247.07591	6.6
248.08340	9.2
249.09070	1.7
251.10695	13.7
255.06522	6.0
256.07281	2.9
259.07443	5.4
260.08295	2.0
263.07065	0.9
263.07916	1.1
263.10718	9.1
264.07742	2.1
265.08508	2.2
268.07239	1.1
269.07977	1.4
270.08893	14.9
271.09671	16.5
276.07794	4.9
277.08652	2.6
279.10132	13.4
280.07556	1.0
280.10867	1.5
283.09564	3.5
290.09055	1.1
291.10153	24.3
292.10898	3.7
293.07983	2.4
295.12994	1.0
296.10379	3.8
308.10468	3.2
309.10846	1.4
311.12784	14.6
323.12790	20.7
341.13568	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04499	0.7
53.03943	0.9
55.01856	0.9
55.05516	6.1
56.96558	2.3
57.03432	1.1
57.07079	1.5
60.04514	0.7
65.03941	0.7
67.05498	2.4
68.63991	0.7
69.03435	1.8
69.07063	2.2
69.81760	1.4
69.82159	2.2
70.06595	0.9
71.04998	1.9
73.02919	0.8
79.05483	3.8
81.07063	4.9
82.06572	1.7
83.04951	0.9
83.08624	3.6
84.08147	0.9
85.06528	1.4
91.05472	5.6
93.07024	0.9
94.04175	2.5
95.04952	1.6
95.08610	2.4
97.02906	1.0
97.06507	1.0
98.21469	1.5
98.97591	2.8
100.07580	1.0
100.11253	13.0
101.11574	2.1
103.05473	2.9
105.07046	8.4
107.04972	2.4
107.08562	1.6
109.06528	2.7
109.10114	1.3
110.06055	1.0
111.04438	1.8
115.05448	3.3
117.06991	1.4
119.04922	1.3
119.08601	3.4
121.06524	1.2
121.10184	0.8
122.03653	8.6
128.06239	2.1
129.06993	3.5
131.00180	1.0
131.04939	4.3
132.05696	2.1
133.06502	4.0
137.05983	100.0
143.04982	0.8
144.05702	1.0
145.06459	1.2
147.03220	0.7
147.04416	2.9
147.08029	4.4
149.05994	2.0
151.07571	1.3
155.04962	1.6
155.06058	0.8
156.05743	0.9
158.99651	1.0
159.08054	3.4
160.05266	1.7
161.05989	12.1
161.09602	0.8
162.06770	0.9
163.07581	3.3
165.94969	0.7
167.07057	1.4
168.05797	0.9
171.08018	1.6
172.05202	1.8
175.07555	30.3
177.05515	1.1
177.09198	1.6
178.07924	0.8
179.07059	1.4
180.07922	0.9
182.15453	3.0
183.15797	2.0
184.05197	0.8
187.07545	13.5
189.09071	1.3
190.07837	3.7
191.08536	9.0
199.07591	6.2
202.07748	4.2
203.08549	4.2
205.06544	1.3
206.07347	0.9
207.08206	1.3
208.08926	1.1
209.16545	1.5
210.14922	4.3
210.16676	1.2
211.15271	2.2
213.67821	0.8
217.08667	1.1
218.07278	2.6
219.08086	14.6
220.08899	3.2
221.09683	1.1
227.17625	2.4
227.67715	2.3
231.08076	5.8
232.08887	0.9
234.06743	1.0
235.07478	2.0
236.08363	2.3
238.09605	1.3
240.07837	0.9
247.07516	5.1
248.08257	3.7
249.09117	2.3
250.09903	0.8
251.10710	16.5
253.08647	1.0
259.07574	3.3
260.08432	2.7
261.09210	1.4
263.10730	3.1
264.07797	1.3
265.08636	1.7
271.09735	1.1
276.07864	1.6
276.72858	1.2
277.08618	2.7
277.22958	5.5
277.73215	1.4
279.07132	1.1
279.10168	17.6
279.13055	1.4
280.10812	0.9
281.08234	1.5
281.11737	1.8
285.10107	0.9
291.10214	7.4
292.10913	1.6
293.08218	1.5
296.10529	1.6
303.11069	1.3
309.11246	3.3
311.09219	1.2
311.12787	18.5
319.12357	2.6
323.12689	4.7
331.75827	1.1
341.13297	7.9
341.24411	1.4
341.27911	1.8
343.30762	3.2
344.30969	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.09593	1.6
55.01868	2.6
55.05502	2.6
56.96547	2.9
57.03432	2.3
61.02922	2.4
64.89584	1.5
67.05494	3.0
69.03421	4.3
69.07098	1.5
69.51948	3.7
69.52351	6.6
70.06618	1.3
71.04973	5.5
73.02899	4.5
79.05486	4.1
81.07047	4.3
83.68922	1.4
84.01575	1.7
84.08125	1.5
85.02906	3.6
91.05469	5.6
93.07058	2.3
94.04183	1.9
95.04954	2.4
95.08594	1.8
97.02895	4.7
98.20747	2.4
98.97567	6.8
103.05460	3.7
105.07009	3.6
107.04951	2.2
109.06523	2.4
110.01350	1.7
111.04430	2.1
112.99120	2.5
115.05432	2.2
117.04497	1.3
119.01805	2.5
120.60672	1.4
121.10191	1.6
122.03629	8.0
125.06029	1.9
128.06200	3.2
129.06999	8.1
131.00139	5.2
131.04939	4.1
131.08548	1.8
133.02844	6.7
137.05983	100.0
138.06253	2.0
139.07564	1.6
144.05692	5.8
147.03088	4.8
147.04298	2.1
149.01221	4.7
149.06073	3.1
151.03960	3.7
151.07515	5.7
156.03615	8.0
157.06497	5.5
158.07347	1.5
159.08040	2.5
160.05165	3.2
161.05949	3.0
163.07524	4.4
165.05455	3.4
165.06784	1.5
165.50885	1.5
166.46016	1.5
167.10533	1.5
168.05811	1.8
170.99651	2.0
172.05159	6.7
174.06796	6.7
175.07574	15.1
177.05460	5.7
177.09077	3.0
179.06967	4.6
187.07561	39.4
188.06956	1.8
189.09093	12.1
191.08580	3.6
196.05211	4.1
197.06003	2.6
199.07547	3.0
202.07791	3.9
203.08553	13.0
205.06491	1.9
208.08980	2.5
211.07579	18.3
212.04774	3.3
213.05457	3.4
217.08589	15.7
219.05231	1.6
219.08005	8.7
220.08862	5.2
224.07884	3.0
225.09235	1.6
227.07019	24.5
228.05573	2.4
228.07761	2.6
231.08078	14.5
232.08858	2.9
233.05966	3.9
236.08240	1.8
237.09108	2.8
239.07051	12.6
240.07828	15.0
241.08543	3.2
247.07513	6.4
248.08324	22.5
249.08844	2.9
250.06265	1.6
251.08768	3.0
251.10800	4.2
255.06541	16.8
256.07291	8.8
259.07413	8.2
260.09012	6.7
261.09106	2.9
263.07986	2.4
263.10693	21.1
264.07834	2.6
265.08533	4.9
268.07336	4.1
269.08224	2.2
270.08871	36.9
271.09656	43.7
271.12582	2.5
276.07761	12.1
277.08606	6.1
279.10059	9.7
281.08154	3.2
281.11661	4.4
283.09677	9.7
290.10019	2.7
291.10172	55.1
292.11002	3.6
293.08145	7.4
293.11191	1.7
295.09769	2.8
296.10327	6.8
297.10950	2.1
305.11124	2.4
308.10468	6.7
309.11221	3.4
311.12778	13.0
316.12659	2.3
323.12772	47.8
341.13699	30.2
341.21268	2.4
345.72055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05509	13.5
56.03268	1.6
57.07069	4.0
60.04257	2.2
60.04528	28.1
67.05515	14.7
67.56156	1.6
69.07075	19.3
71.05022	1.6
71.57366	3.4
71.64934	1.7
79.05504	4.0
81.07069	15.0
83.04979	1.9
83.08617	16.7
87.04435	1.8
91.05479	3.2
93.07035	5.8
95.08622	10.2
97.10162	8.0
105.07035	5.2
107.08604	3.4
109.10166	9.0
111.11678	3.5
119.08576	5.4
121.10190	1.8
123.08071	2.9
123.11682	3.5
133.10115	6.0
139.11240	1.8
142.15909	12.0
145.10033	1.7
147.11668	4.1
149.13222	2.2
151.11191	2.6
154.12325	4.8
161.13234	2.2
166.63649	2.0
172.13280	3.2
191.96642	1.9
243.94804	1.7
244.47189	2.0
263.23624	5.3
280.26321	11.7
298.27411	13.1
322.27493	2.5
340.28488	100.0
340.39438	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	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37597	0.9
55.01866	1.7
55.05303	0.9
55.05514	9.8
57.03436	1.5
57.07075	4.2
60.98386	1.0
62.06091	100.0
64.67972	0.8
67.05502	18.8
69.06731	0.8
69.07072	11.6
71.04999	1.0
71.08623	1.3
71.57248	1.2
79.05496	10.8
80.05801	0.9
81.07060	15.4
82.06555	1.3
82.07379	1.4
83.04988	1.2
83.08614	6.0
88.07635	1.1
91.05470	4.2
93.07044	8.7
95.04906	1.1
95.06062	1.5
95.08601	10.8
96.08955	0.9
97.06537	2.2
97.10174	3.5
99.04458	1.0
105.07027	3.3
107.08591	7.6
109.06531	1.3
109.10147	6.4
111.08116	1.3
117.07053	2.2
119.08593	3.5
121.10157	3.1
123.11716	1.8
124.11224	3.4
125.09552	2.1
133.10162	2.4
135.08063	1.4
135.11713	4.0
137.13263	1.8
143.08643	1.3
149.02376	1.9
149.13269	1.1
150.02657	0.8
151.14853	0.8
154.94362	0.8
159.11636	1.5
161.13235	1.0
193.04979	3.9
193.53200	0.9
194.05324	2.8
196.13364	12.7
214.14360	14.9
225.15779	1.7
243.21082	1.5
261.22205	2.3
272.17276	1.1
279.23251	3.2
290.18329	1.7
299.18738	1.3
301.80331	0.9
308.19495	1.1
315.18170	1.3
317.19553	5.0
322.27414	43.0
323.25690	6.0
335.20636	3.3
339.77896	11.7
340.22241	2.2
340.28421	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	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.8
55.05508	18.2
57.03428	6.6
67.05177	4.5
67.05515	66.8
69.03419	5.0
69.07084	15.1
70.74911	2.7
71.05012	4.2
79.05500	26.7
81.03426	5.4
81.07063	73.8
83.04985	40.4
83.08598	4.2
84.75989	3.0
85.06545	9.6
91.05491	42.2
92.90820	2.7
93.07051	34.2
94.30389	3.1
95.04955	11.5
95.08628	17.7
97.06564	3.8
99.04483	3.0
99.08143	3.6
105.07050	47.9
107.04961	6.2
107.08606	44.7
109.06519	11.4
109.10173	67.0
115.61050	2.8
117.06991	7.5
119.08566	8.6
121.06551	5.8
121.10104	5.0
123.08062	5.7
123.11694	13.8
129.06985	4.7
131.08585	10.6
133.06499	9.2
133.10143	100.0
135.08070	8.8
137.09560	4.5
143.08522	6.0
145.10109	8.2
147.11644	3.3
149.09645	9.5
151.11205	93.9
157.10188	3.3
159.11719	5.3
161.09608	3.6
161.16914	2.9
177.09099	11.0
179.10698	10.6
183.13826	36.2
201.12866	4.7
229.14314	3.6
229.49591	2.7
245.19136	6.0
273.18427	18.2
281.24725	4.4
291.19522	17.2
305.21182	23.9
340.32379	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	340.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05519	12.1
55.87563	1.1
57.03437	1.3
59.04986	1.8
60.04517	1.2
64.52228	1.0
67.05488	4.5
69.03413	1.5
69.07070	7.5
70.02938	1.9
70.06580	4.7
71.04979	1.3
71.57272	1.5
79.05507	2.6
81.07046	5.6
82.06585	24.2
83.04987	7.5
83.08607	1.4
85.02892	2.7
85.06525	3.9
86.06077	11.7
86.09696	1.4
91.05445	4.6
93.07014	2.6
95.04963	1.7
95.06062	3.8
95.08604	3.0
96.08126	4.7
97.06546	1.5
98.06029	1.7
98.09156	1.1
98.09714	10.0
99.04453	4.7
100.11246	1.7
101.05987	3.3
105.07008	1.6
107.08574	2.1
108.08102	3.0
109.10155	1.6
110.06053	18.3
111.04443	7.0
112.07613	1.4
112.08760	2.7
116.07089	2.1
116.10735	3.1
119.04965	1.3
119.08596	11.1
120.08109	1.8
121.08932	1.2
121.10130	2.0
124.07570	3.9
126.09161	11.1
127.07516	1.7
128.07089	1.6
128.10757	1.1
136.07562	2.1
137.06001	1.9
140.10661	1.2
142.08630	10.6
147.04445	3.1
147.11691	1.4
150.12778	5.6
151.11153	3.5
152.07129	1.7
154.08641	100.0
155.07074	1.9
166.08563	1.5
169.12234	10.3
171.69362	1.1
172.09703	86.8
173.08076	3.3
175.11174	2.1
177.05394	1.7
180.10266	1.6
195.12521	6.6
210.14906	1.7
212.16466	47.3
244.15550	1.4
279.15915	4.1
308.18436	2.3
308.22159	1.1
322.20151	15.7
340.14548	2.8
340.21228	74.4
340.24902	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	340.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92509	1.1
55.05505	2.4
56.96565	13.4
57.03446	1.4
61.02912	1.8
65.29586	1.0
67.05494	3.1
68.05027	1.1
69.03410	1.9
69.07055	1.5
70.06589	1.3
71.57109	1.8
75.93779	1.0
79.05483	3.0
81.03429	2.4
81.07051	3.7
82.06570	1.2
83.06103	1.2
83.08626	1.1
84.04490	1.7
85.02907	1.9
91.03979	1.5
91.05471	3.1
93.07061	1.5
95.04967	1.9
95.06119	5.2
95.08611	1.8
97.10151	1.9
98.97601	1.3
100.11229	1.7
102.38726	0.9
103.05495	2.2
105.07024	2.5
107.04911	1.0
112.08675	1.8
114.05518	1.5
118.06560	2.2
119.04945	4.2
119.08563	2.1
121.10144	1.6
122.09716	1.1
123.04438	5.4
123.11708	1.8
137.05971	1.5
139.00670	1.7
147.04419	4.0
147.11710	1.7
151.00629	1.1
153.02235	1.5
158.99742	1.4
165.05540	1.4
167.03833	2.5
170.85573	1.3
170.99637	1.1
171.03308	2.5
176.14368	14.6
182.15459	1.6
185.04834	9.0
203.05927	6.1
210.14938	1.3
211.06467	4.4
221.08484	1.5
222.14911	1.1
223.06487	1.6
229.07454	1.5
231.06961	1.8
235.10719	1.2
237.08046	2.1
241.07527	1.6
249.07951	10.4
267.09048	100.0
285.10104	79.1
286.10464	1.2
290.10654	4.0
299.11694	30.0
303.11249	1.7
308.11832	5.0
317.12729	36.6
322.24930	1.5
323.19623	1.3
340.13776	3.9
340.18964	18.4
340.22592	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	339.2532
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
55.05513	26.7
57.03447	6.8
57.07069	15.1
67.05501	39.6
69.03444	7.6
69.07069	34.9
69.84606	3.6
71.04987	6.3
71.08639	29.4
71.57206	5.6
73.06554	13.5
79.05500	24.9
79.05885	4.5
81.07059	56.2
82.07387	5.5
83.04987	7.7
83.08629	17.6
85.06554	4.2
91.05482	20.1
93.07043	41.3
95.04977	18.0
95.08614	51.0
96.08949	4.0
97.06546	9.3
97.10177	13.2
99.08102	27.5
100.58448	4.0
105.07040	21.9
107.04897	4.7
107.08598	28.8
109.06514	35.6
109.10168	17.8
117.07030	7.5
117.66286	4.3
119.08591	21.9
119.35675	3.7
121.06524	16.2
121.10159	15.6
123.08086	7.9
123.11797	4.5
129.07021	6.2
131.08598	10.9
133.06625	3.9
133.10129	18.9
135.08096	14.2
135.11699	11.1
139.11160	8.7
145.10109	10.4
146.52992	4.5
147.11714	8.0
149.02312	4.4
149.09798	4.4
151.11209	4.4
151.14867	4.0
159.11728	11.1
161.13229	6.0
163.11208	6.4
165.12747	64.2
173.13280	6.5
175.14767	5.6
177.12773	17.1
181.15956	19.0
195.73050	3.7
243.21016	4.4
261.22211	16.1
271.20618	7.6
275.20068	16.3
279.23184	9.2
289.21640	100.0
295.23523	3.9
307.22714	38.2
321.24280	100.0
339.18951	5.5
339.22919	9.8
339.28253	26.7
339.34531	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	0.7
55.05513	27.5
57.03440	13.8
57.07079	12.4
59.04998	0.5
60.43085	0.4
67.05505	15.9
67.05867	0.8
69.07069	33.0
69.44715	3.4
70.89958	0.5
71.04984	1.1
71.08635	6.2
73.06557	0.5
79.05067	0.7
79.05495	7.7
79.84753	0.4
81.07059	20.1
83.04978	1.4
83.08622	23.8
85.06537	1.2
85.10190	3.1
91.05472	0.8
92.68180	0.4
93.07046	11.4
93.07623	0.7
94.47454	0.4
95.04951	0.4
95.08607	18.1
96.31101	0.4
97.06529	3.8
97.10171	13.8
99.08090	0.7
99.64580	0.4
107.08603	6.7
109.10161	8.8
111.08069	2.6
111.11739	3.8
115.07690	0.5
121.10147	9.7
123.11694	1.9
125.09620	1.5
125.13268	0.7
135.11700	9.2
137.13232	0.9
139.11168	1.8
139.26454	0.5
149.13251	3.6
151.14844	1.3
153.12752	0.9
163.14810	1.6
165.16342	0.9
177.16376	0.6
191.18025	0.9
205.19511	0.6
237.96027	0.5
247.24263	1.5
265.25244	3.2
285.15866	0.4
305.75909	0.4
319.59286	0.5
339.28952	100.0
340.29333	1.6
344.52960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03945	3.4
53.36423	1.6
55.01870	2.6
55.05513	12.1
56.96579	1.3
57.03446	6.4
57.07073	2.9
65.03951	2.0
67.05511	75.0
69.03422	1.4
69.07078	14.1
71.04987	2.4
71.56499	1.4
71.56894	2.3
79.05497	40.8
81.03442	3.0
81.07063	100.0
82.62907	1.2
83.04980	2.9
83.08627	6.5
83.39305	1.2
85.06562	1.9
91.05496	19.7
93.06470	2.8
93.07052	53.1
95.04981	3.0
95.08617	72.4
97.02878	1.3
97.06548	6.4
97.10191	7.0
98.97596	3.4
99.08093	2.6
105.07043	17.8
107.08600	31.3
109.06525	21.6
109.10162	43.3
111.08105	3.6
113.09686	1.7
116.98630	1.7
117.07020	6.9
119.08607	13.9
121.10153	34.3
123.08083	3.4
123.11714	13.1
125.09647	2.3
129.07043	1.6
131.08575	15.1
133.10152	15.2
135.11708	23.2
137.09644	2.7
137.13266	3.7
139.11182	3.1
145.10136	18.7
147.11693	13.6
149.09612	3.5
149.13260	17.2
151.11197	3.5
153.12848	1.4
159.11719	13.2
161.13246	4.9
163.14827	5.9
165.12758	2.2
167.10681	2.1
173.13268	9.5
175.14816	1.8
177.12758	2.7
181.12227	1.4
187.14806	5.0
191.14316	1.5
193.12250	4.6
201.16524	1.6
219.21147	3.0
229.19524	22.6
247.20590	74.1
261.18454	1.4
265.21625	4.3
271.16998	1.5
274.97482	1.9
283.16968	3.6
289.18155	5.9
303.19525	1.7
303.23264	2.1
307.19095	2.8
321.21024	2.2
321.24313	12.7
339.21790	1.9
339.25629	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
54.24502	1.9
55.01875	6.9
55.05513	31.2
56.96569	9.2
57.03431	7.5
57.07066	5.8
59.05011	4.3
65.03943	5.1
67.05508	91.3
69.03431	4.8
69.07075	20.9
70.06578	1.9
71.04999	13.6
71.42976	3.4
72.08167	3.6
74.40137	2.0
79.05499	58.3
81.03424	4.1
81.07061	100.0
83.04993	12.9
83.08626	16.4
83.49724	2.3
85.02911	6.9
85.06530	4.9
85.18729	1.9
87.04431	2.3
88.90011	1.8
91.05490	47.5
93.07049	73.0
95.04967	12.9
95.08613	88.0
97.06541	17.3
97.10188	12.0
98.97596	31.3
99.08123	6.6
105.07043	50.2
107.04974	7.6
107.08601	64.5
109.06525	12.8
109.10165	51.8
111.04468	2.1
111.08077	7.5
116.98605	16.4
117.07034	14.1
118.54729	2.0
119.08598	40.2
121.06506	10.2
121.10155	49.1
123.08063	15.7
123.11735	18.4
125.09644	11.3
127.07547	2.5
129.07019	3.0
131.08580	31.0
133.06523	4.1
133.10135	35.4
134.55917	2.1
134.99658	6.5
135.04390	2.8
135.08040	10.7
135.11707	30.6
137.04390	2.2
137.09642	11.3
137.13258	4.5
139.07564	4.3
141.07007	2.5
143.08601	5.9
145.10120	31.7
147.04469	2.4
147.08029	4.7
147.11699	27.2
149.09634	10.1
149.13274	22.3
151.07506	3.4
151.11198	9.3
155.08667	2.1
156.99640	2.4
157.10144	6.0
159.08073	5.4
159.11696	27.7
161.09653	3.5
161.13277	8.4
163.11151	3.5
163.14832	6.9
169.10193	2.7
171.11775	5.6
173.09662	4.7
173.11981	2.7
173.13255	14.6
175.11191	5.2
177.12816	2.5
183.11659	3.0
185.13269	3.3
187.14876	6.6
191.14369	3.3
193.12195	3.1
203.12723	3.0
219.21107	5.4
229.19501	27.2
239.18018	5.9
247.20580	79.0
256.96484	5.1
257.19009	4.7
261.18558	4.8
263.16479	3.5
265.21762	3.4
271.16986	6.0
274.97510	22.0
275.20047	31.4
283.16956	2.7
289.18030	17.1
289.21658	15.9
292.98611	9.0
305.21213	2.1
307.19006	8.9
307.22690	11.9
321.13800	10.0
321.20905	6.3
321.24271	25.3
339.15149	8.4
339.21933	4.7
339.25870	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	4.2
55.01880	3.6
55.05511	23.7
56.96564	1.8
57.03445	10.5
57.07072	3.7
58.27040	1.7
65.03939	3.2
67.05508	100.0
68.05883	1.5
69.03391	1.7
69.07070	14.6
70.00504	5.2
71.05004	2.8
79.05495	42.3
81.03459	1.5
81.07063	92.1
83.04992	6.0
83.08606	9.8
85.06553	5.5
91.05484	25.4
93.07050	59.8
95.04978	6.9
95.08614	90.1
95.09243	2.6
97.06537	6.2
97.10191	7.9
98.73878	1.5
98.97572	3.9
99.08104	2.4
101.34398	1.7
105.07039	22.3
107.04977	3.0
107.08604	43.7
107.09303	3.3
107.28369	1.5
109.06544	13.4
109.10162	52.1
109.57564	1.7
111.04444	3.6
111.08117	4.8
113.06019	5.3
113.09648	1.8
117.07027	10.5
119.08578	18.1
121.06501	4.7
121.10154	40.4
123.08053	2.5
123.11704	18.3
125.09632	8.9
127.11209	2.0
131.08580	21.6
133.10139	16.2
135.08067	5.0
135.11703	32.4
137.09619	4.7
137.13303	4.2
139.11227	2.8
145.10136	19.7
147.11694	16.3
149.09689	1.9
149.13251	19.2
151.11215	4.3
153.09117	2.4
159.08093	6.5
159.11693	16.7
161.09680	2.5
161.13251	6.3
163.07576	3.0
163.11137	2.0
163.14862	7.7
165.12729	2.1
173.09552	1.9
173.13255	13.8
177.12677	2.0
183.13280	1.6
187.14835	4.9
201.16348	2.4
219.21098	3.6
229.19511	32.9
243.17380	1.8
247.20593	93.5
253.15926	2.1
254.27960	1.7
261.18509	4.3
265.21680	4.9
271.16907	4.5
274.97531	6.7
283.17044	3.7
289.17966	17.9
292.98712	2.6
303.20135	1.8
307.19037	2.6
321.20670	11.3
321.24319	12.5
339.25497	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	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
53.10303	2.0
55.01866	7.4
55.05513	33.5
57.03432	4.5
57.07063	4.2
59.04986	2.6
67.05175	3.6
67.05509	57.9
69.03436	5.1
69.07078	36.7
71.04996	25.1
71.07854	5.0
71.08208	2.2
71.08620	2.5
73.06567	11.9
77.56349	2.1
79.05058	3.8
79.05495	37.6
81.03410	6.6
81.07063	100.0
83.04980	9.1
83.08634	18.7
85.06532	6.1
91.05479	30.8
93.07050	34.3
94.49220	2.1
95.04957	14.5
95.08044	4.0
95.08615	46.8
95.09233	2.9
97.06525	17.0
97.10162	7.3
99.08098	6.9
105.07032	29.4
107.04967	13.7
107.08598	27.2
109.06535	24.2
109.10167	23.2
111.08079	7.5
113.09616	4.0
117.07033	7.6
119.08585	24.8
121.06525	6.2
121.10154	24.0
123.08098	10.8
123.11720	10.7
125.09640	4.9
129.07021	3.2
131.08557	16.1
133.10132	21.3
135.08049	7.9
135.11711	13.2
137.09624	10.9
139.11176	7.5
143.08531	3.4
144.72260	2.5
145.10152	16.2
147.08063	2.8
147.11696	18.0
149.09624	11.4
149.13246	7.1
151.11203	4.0
157.10115	6.4
159.11703	10.0
161.09639	2.8
161.13341	2.7
163.11195	12.1
163.14862	3.3
165.12750	6.7
169.10127	3.6
171.11676	5.9
173.13292	7.5
175.11240	4.8
175.14789	3.0
177.12769	4.8
183.11749	2.8
187.11082	3.3
187.14746	2.9
193.04919	2.8
193.12218	4.6
197.13228	2.9
207.13774	3.4
217.14333	4.4
229.19591	6.3
237.14909	2.5
239.17928	5.3
247.20647	6.9
251.16409	2.2
257.19040	15.9
275.20090	73.3
277.22620	2.6
279.23264	2.5
280.99417	2.1
289.21689	4.7
307.22672	37.2
339.22971	6.9
339.28870	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64362	4.0
53.03935	11.6
55.01877	33.0
55.05512	46.6
57.03434	24.4
57.07081	8.2
57.46923	3.7
65.03957	5.2
65.18797	3.9
67.05506	94.3
69.03424	7.6
69.07065	45.0
69.22652	10.3
69.23063	29.6
71.01344	6.7
71.04984	10.0
79.05063	6.1
79.05495	78.8
80.03995	4.1
81.03410	18.3
81.07059	100.0
83.04991	31.1
83.08624	18.3
85.06554	8.1
91.05486	74.4
93.07042	59.0
95.04964	74.7
95.08615	50.6
97.02901	5.2
97.06544	24.4
97.10154	12.7
98.07325	7.7
98.97604	4.9
103.04366	4.0
103.15303	4.1
105.07043	55.5
107.04287	7.9
107.04959	97.1
107.08596	27.7
108.05742	5.7
109.06520	48.3
109.10148	18.5
111.04438	9.2
111.08093	10.9
112.05215	12.5
113.06029	13.4
115.05420	5.9
117.07042	29.8
117.20238	4.5
119.04922	6.0
119.08590	33.8
121.06516	27.5
121.10170	15.2
122.07263	21.5
123.04418	7.4
123.08075	14.3
128.06245	7.4
129.07004	10.7
131.08578	36.7
133.06509	20.4
133.10126	26.4
135.08046	22.8
135.11687	17.4
136.93106	12.1
137.05988	5.1
137.09607	8.0
137.31827	4.5
141.06999	5.2
143.08563	15.3
145.06523	20.5
145.10141	19.6
145.84230	3.7
147.08063	27.5
147.11690	10.4
149.02348	5.2
149.09644	8.2
149.13239	6.5
151.07512	9.3
151.11192	13.2
154.94203	15.0
155.08481	8.0
157.10188	4.8
159.08025	10.4
159.11732	14.7
161.09605	23.2
161.13258	10.0
162.10400	6.4
163.11208	11.0
165.09129	9.0
169.10149	7.5
171.11676	9.6
172.95291	7.7
173.13309	13.2
175.11192	7.6
177.12700	12.0
185.13319	4.7
187.11227	8.0
187.14792	10.2
193.05035	13.0
197.13277	11.4
203.14313	3.9
205.15935	12.8
206.52608	4.4
215.14328	11.8
224.65742	10.0
233.15369	94.9
261.18484	9.2
265.18018	61.2
273.18378	24.5
274.97568	4.8
289.17923	13.7
290.18732	9.9
298.98279	8.1
304.20377	4.6
305.21063	14.7
339.21881	12.5
339.27737	40.2
339.77628	6.5
356.07809	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	339.2167
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
51.02375	1.8
53.03952	16.6
55.01876	8.2
55.05513	42.4
57.03439	18.5
59.04997	3.7
65.03941	2.7
67.05508	59.3
69.03426	5.7
69.07069	13.8
69.72999	9.4
71.04996	34.1
73.02924	2.2
73.06541	2.6
79.05495	53.3
81.02979	2.7
81.03425	39.1
81.07063	100.0
83.04983	34.6
83.08621	11.8
83.15378	1.4
85.06544	6.2
85.96267	1.5
87.85876	1.4
91.05488	44.8
92.11158	1.4
93.07050	47.2
95.04973	24.6
95.08611	38.5
97.06521	9.9
97.10166	6.8
98.21451	2.9
99.04460	1.8
99.08077	1.9
101.06019	4.4
103.05451	2.4
105.07034	30.2
106.97118	1.6
107.04961	25.8
107.08605	24.3
109.02853	2.2
109.06522	39.6
109.10166	8.2
111.04422	2.6
111.08073	9.4
113.05981	3.1
115.05433	3.8
117.07034	17.4
119.04951	3.7
119.08591	22.4
121.06509	13.9
121.10140	18.4
123.04424	4.4
123.08079	16.0
123.11653	1.7
125.06013	4.8
125.09634	6.8
129.07004	13.1
131.04872	1.6
131.08574	26.4
133.06516	9.6
133.10139	18.4
133.55063	1.6
135.04431	1.8
135.08063	12.4
135.11702	13.4
137.05995	2.8
137.09622	6.3
139.11197	2.4
141.07002	5.7
141.09145	2.5
143.08533	6.6
145.06516	11.0
145.10118	12.2
146.07339	1.8
147.08060	12.7
147.11696	9.4
149.05983	3.4
149.09618	11.1
149.13287	8.1
151.07541	4.4
151.11215	2.8
153.09076	2.3
154.94247	1.9
155.08543	5.5
155.10657	1.8
157.08667	2.1
157.10130	8.6
159.08081	12.2
159.11708	16.3
161.09645	15.9
161.13307	7.4
163.07530	3.5
163.11201	9.8
165.09200	2.2
167.10654	3.6
169.10129	6.7
171.11659	9.8
173.09573	7.6
173.13243	5.6
175.11220	7.6
177.09177	4.0
177.12717	8.6
179.10640	2.3
179.14400	2.1
183.10115	4.4
183.11676	3.9
185.09618	2.4
185.13217	3.2
187.11162	6.3
189.12772	4.7
191.10776	2.6
191.14342	4.6
193.12163	2.3
199.11180	2.7
201.12660	3.8
205.12288	3.7
205.15930	4.1
207.13768	15.6
215.14235	4.1
217.12227	5.7
219.13828	7.1
221.15408	3.0
225.16464	3.3
231.13855	5.8
233.11726	3.6
233.15320	8.2
237.14828	7.3
243.17436	6.7
249.14607	2.2
253.15855	6.6
261.18555	14.0
263.16412	6.9
271.16977	29.0
274.97372	1.8
275.19989	1.8
289.17981	70.1
303.19574	41.1
321.20630	27.5
339.17899	2.5
339.21957	38.6
339.27997	3.8
358.57535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	1.3
53.03954	14.7
55.01870	8.5
55.05514	31.0
57.03443	11.7
57.07059	1.3
58.49499	1.2
59.05005	1.9
60.91241	1.4
65.03933	3.3
67.05504	52.8
69.03435	4.9
69.07069	10.7
69.34843	11.5
71.04993	26.4
73.02903	3.2
73.06551	2.3
79.05495	41.7
81.03423	28.5
81.07058	58.8
83.04982	58.0
83.08611	10.4
85.06550	8.1
91.05483	39.1
91.06068	1.5
93.07046	41.3
95.04962	18.6
95.08046	2.7
95.08610	30.3
97.06528	10.9
97.10195	3.9
98.97572	1.5
99.04450	5.7
99.08100	1.5
101.06026	3.6
103.05462	3.7
105.07029	27.8
107.04958	25.7
107.08604	21.9
109.06508	16.0
109.10137	9.5
111.04436	5.7
111.08072	6.4
113.05994	2.2
115.05455	1.9
117.07012	15.0
119.04981	3.3
119.08594	19.1
121.02876	1.5
121.06498	12.4
121.10156	10.2
123.04453	3.2
123.08035	12.0
123.11739	1.7
125.05997	9.5
125.09584	2.8
127.07557	1.3
128.06250	3.0
129.07016	11.0
131.08571	18.8
132.05751	1.7
133.06494	7.0
133.10123	18.9
135.04398	1.8
135.08043	11.0
135.11699	15.7
137.05991	2.6
137.09613	3.7
139.07535	1.6
141.06984	4.6
141.09094	1.4
143.08560	7.9
145.06520	8.4
145.10141	12.5
147.08051	7.7
147.11713	11.8
149.05983	3.0
149.09627	6.0
149.13275	6.0
151.07523	5.2
151.11206	4.8
155.08589	4.7
157.10159	7.0
159.08073	9.8
159.11722	12.6
161.09598	8.8
161.13312	5.1
163.07600	7.4
163.11214	12.3
165.09152	2.3
169.10083	4.0
171.11652	10.2
173.09616	4.7
173.13252	6.1
175.11191	4.9
177.09160	7.5
177.12750	11.1
179.14346	1.4
183.10214	4.2
183.11694	2.2
185.13248	2.0
187.11205	8.0
187.14835	2.7
189.12811	6.9
191.10699	2.9
191.14336	2.3
197.13266	2.0
199.11182	3.7
201.12787	2.6
201.16357	1.7
205.12210	3.3
205.15898	4.9
207.13776	7.5
209.15335	1.9
213.12749	1.8
214.04781	1.3
215.14325	3.0
217.12253	6.5
219.13788	3.9
225.16559	2.7
231.13757	2.1
233.15366	14.2
233.18965	1.4
235.13226	3.4
237.14839	7.0
243.17374	4.2
247.17088	1.4
249.14777	2.6
253.15903	4.3
261.18509	14.5
263.16406	2.3
271.16925	19.1
289.17981	100.0
303.19571	14.4
307.18988	3.1
321.20578	32.3
339.21576	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.8
55.01870	7.4
55.05516	15.4
57.03448	12.2
62.32763	2.6
65.03950	2.8
67.05507	26.6
69.03432	4.5
69.07071	8.3
69.56592	16.9
71.04971	2.5
76.49075	2.6
79.05496	37.6
81.03423	19.6
81.07056	100.0
83.04983	28.1
83.08619	6.5
85.06541	6.9
91.05488	17.5
93.07045	25.9
95.04970	11.8
95.08611	23.1
95.23446	2.5
97.06551	6.8
97.10165	3.7
105.07051	14.8
107.04943	29.0
107.08607	9.3
109.02890	2.7
109.06523	53.6
109.10151	4.8
111.04440	19.0
111.08070	6.6
113.06008	2.1
117.07011	11.0
119.04898	3.2
119.08598	11.3
121.06517	4.8
121.10138	5.8
123.04429	8.6
123.08077	13.5
123.83366	2.2
125.06035	4.6
125.09652	3.8
129.07018	3.5
131.08575	11.5
133.06412	4.3
133.10147	14.0
135.08072	8.8
135.11676	15.7
137.09528	4.6
143.08521	5.2
145.06491	10.7
145.10133	8.3
149.09621	3.0
149.13303	11.1
151.07565	5.7
159.08055	8.0
159.11670	19.3
161.09584	5.7
163.07565	4.8
163.11206	4.5
169.10179	7.6
177.09125	2.7
177.12746	25.1
187.11201	12.9
189.09157	3.3
205.12193	7.8
209.15482	7.5
215.14432	3.5
219.13698	3.8
221.80382	2.9
223.13289	10.0
233.15382	7.5
237.14836	4.2
241.14227	4.7
243.17514	8.1
255.15886	6.8
261.18481	10.2
271.16882	13.7
289.17957	65.1
303.19586	8.1
304.40967	2.4
307.19186	8.0
321.20587	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
52.92215	1.4
53.03947	3.0
54.52911	1.4
55.01870	8.2
55.05266	2.4
55.05516	29.4
56.33343	1.7
56.96550	3.3
57.03440	8.0
65.03951	1.9
67.05512	27.5
67.25190	1.6
69.03423	4.9
69.07077	13.3
70.14963	6.5
71.01344	2.3
71.04988	4.6
79.05504	32.1
81.03410	4.2
81.07066	33.5
83.01333	2.4
83.04974	4.6
83.08624	15.5
85.06563	2.4
91.05479	23.9
93.07050	35.4
95.04963	6.9
95.08614	16.6
97.02894	1.5
97.06544	5.5
97.10177	29.1
98.20807	2.1
98.97598	6.4
105.07044	16.1
107.04959	6.8
107.08601	29.6
109.06538	22.0
109.10167	13.1
111.08083	13.0
113.06013	1.8
115.05453	1.8
115.07465	1.4
116.98615	3.6
117.07009	10.2
119.08594	15.4
121.06529	8.8
121.10156	8.6
123.04456	1.4
123.08072	10.7
125.09642	26.9
129.06996	5.1
131.08583	7.2
133.02853	3.5
133.06503	4.2
133.10164	10.6
135.04459	1.9
135.08084	17.3
135.11674	4.2
137.05977	2.5
137.09612	9.1
139.07549	39.3
143.08562	6.0
145.06508	3.7
145.10149	7.2
147.08066	4.2
147.11673	4.7
149.09601	5.0
151.07579	4.1
151.11230	2.5
153.09094	11.0
155.08571	2.1
157.10088	3.0
157.12215	2.0
158.86861	1.5
159.08064	5.9
159.11703	5.2
161.02289	1.7
161.09639	6.4
161.13321	2.0
162.12694	1.7
163.03983	3.3
163.07542	9.7
163.11221	3.2
165.09102	2.0
168.83905	1.6
169.12283	3.2
171.10191	2.1
171.11665	2.5
173.02356	10.1
173.09613	7.8
173.13251	2.8
175.11195	4.1
177.09142	3.7
177.12772	4.5
179.10666	1.9
183.11722	2.5
185.09727	1.7
187.13264	1.7
189.11195	3.2
189.12770	1.6
191.10655	6.7
193.12251	2.3
201.12761	1.8
201.16365	2.3
203.12820	17.1
213.97861	1.7
215.06996	5.1
217.08714	2.5
217.15741	2.1
225.16338	2.8
235.16992	7.4
237.14937	1.6
243.17558	7.0
245.15439	2.7
247.16885	1.6
253.15883	6.2
261.18515	10.2
263.16406	7.8
267.11768	1.9
271.16998	19.8
274.97549	5.8
275.16348	1.8
289.18018	100.0
293.21481	1.6
295.19000	2.2
303.19553	6.4
307.18964	14.3
321.20596	19.0
339.22556	8.6
339.26682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1804
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
50.58051	0.7
53.03957	1.0
55.01902	2.3
55.05515	5.1
56.96566	4.6
57.03475	2.4
57.07095	0.6
60.04539	1.0
67.05508	10.2
67.25000	0.6
69.03460	2.4
69.07085	4.0
70.06622	1.9
71.05013	1.0
71.57266	0.9
79.05499	7.9
79.05885	0.6
81.03441	1.7
81.07062	8.8
83.05025	2.4
83.08659	2.3
85.02956	0.8
85.06586	1.2
91.05485	8.2
93.07036	7.4
95.04979	4.1
95.08611	5.1
97.02945	1.2
97.06547	3.7
97.10208	2.6
98.97633	2.6
105.07050	3.6
107.05012	2.0
107.08595	4.1
109.02936	0.7
109.06520	5.0
109.10194	3.9
111.04489	1.8
111.08142	2.0
113.06037	4.3
116.98649	0.7
117.07082	2.1
119.04985	1.1
119.08603	3.3
121.06495	4.7
121.10192	2.5
123.04464	0.7
123.08125	1.6
124.99229	0.7
125.06013	1.0
125.09689	1.6
127.07621	0.9
129.07030	1.5
131.08607	1.9
133.10175	2.8
134.09695	1.4
135.08051	3.5
135.11777	1.2
136.11250	0.7
137.05989	9.9
137.09621	9.0
137.10577	0.7
139.07591	1.3
141.07027	1.6
141.09114	0.7
143.00175	1.5
144.08096	0.7
145.06477	1.1
145.10179	2.4
147.04453	2.7
147.08096	1.6
147.11737	1.9
149.06009	1.5
149.09674	1.5
151.07597	1.5
153.05498	2.1
153.09148	0.8
154.06294	1.0
155.07036	8.7
155.08328	0.8
157.10258	0.7
159.08076	1.8
159.11732	1.6
161.09673	1.6
162.12807	1.6
163.03946	2.2
163.07544	6.4
163.11160	1.0
165.05525	3.2
165.09190	1.4
167.07152	0.7
169.10284	0.8
173.06030	0.7
173.09705	1.0
177.05534	2.4
181.08609	1.6
183.11833	0.7
187.07587	1.6
189.09204	0.8
190.16029	0.7
191.07033	21.3
192.07776	4.4
193.08647	1.6
195.06599	2.7
200.04662	0.7
201.12799	1.1
203.07079	0.8
205.08658	2.8
208.16852	1.1
209.06453	1.2
209.08075	4.0
210.08809	4.2
215.07063	2.0
222.07155	1.1
222.57565	0.8
223.09758	1.9
237.00769	1.5
242.58749	0.8
243.07808	0.9
247.21043	0.7
252.08519	1.1
257.15506	0.8
271.16806	0.8
274.97522	0.9
275.16446	7.2
285.14880	2.8
289.18018	3.9
293.17422	6.6
303.15918	52.6
304.16342	1.1
309.09891	0.8
321.16983	100.0
322.17310	1.5
339.18048	83.7
339.22733	12.3
340.18469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
56.96549	0.6
57.03418	0.2
60.04512	0.5
61.02919	0.2
67.05471	0.2
69.03420	0.8
69.91186	0.5
69.91579	0.4
70.06592	0.3
70.98124	0.4
73.02910	0.2
81.03416	0.3
85.02425	0.2
85.02906	2.4
88.99156	0.3
96.08144	0.2
97.02887	0.9
98.21464	0.2
98.97573	1.9
105.07034	0.4
109.02888	0.3
110.09696	0.2
110.97589	0.2
115.03957	0.2
115.05449	1.7
116.98584	0.4
117.05737	1.1
127.03918	0.7
128.98610	0.8
132.08095	4.1
133.06494	0.3
136.07564	0.4
136.11234	0.3
142.06522	0.6
143.07294	0.2
145.04988	0.7
146.99638	0.6
148.07568	1.0
149.11949	0.2
153.01256	0.2
158.99675	0.4
159.06776	0.4
160.07582	100.0
161.07913	0.8
162.12810	0.8
165.00696	0.2
172.07582	0.2
177.00748	0.5
177.10239	10.0
184.07541	0.2
189.00763	0.3
190.16025	0.2
193.17937	0.2
201.10205	0.2
202.08670	0.5
219.01816	0.9
237.02823	0.7
239.95305	0.2
249.02965	0.2
249.06055	0.3
262.18011	0.2
273.19632	0.4
279.03790	0.4
292.11905	0.2
310.12885	0.6
321.14484	0.4
321.21744	0.7
322.12860	13.7
339.15582	5.8
339.22720	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	339.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29165	0.1
53.03941	0.2
56.96551	0.4
57.03422	0.3
61.02914	0.4
67.04240	0.1
69.03437	1.2
69.39614	1.1
70.06572	0.6
73.02907	0.6
81.03407	0.4
84.91184	0.4
84.96021	0.2
84.99570	0.2
85.02423	0.2
85.02906	2.6
87.01130	0.2
87.04496	0.2
88.76025	0.1
90.94571	0.1
94.06535	0.1
97.02883	1.2
97.39720	0.1
98.21635	0.1
98.97585	3.4
99.04446	0.2
101.00889	0.4
103.00661	0.3
105.02177	0.4
105.07016	0.4
109.02889	0.4
110.97559	0.7
112.99113	0.2
115.05460	1.7
116.07086	1.1
116.24644	0.1
116.98613	0.8
117.02159	0.3
117.05759	0.9
118.06514	0.2
119.01912	0.4
121.01678	0.3
123.03289	0.1
124.99117	0.3
127.03896	0.8
127.46838	0.1
128.98592	0.5
129.02168	0.2
130.06508	0.2
131.00189	0.1
131.01912	0.2
131.04906	0.2
132.08087	3.8
133.01700	0.3
133.03435	0.5
133.05241	0.2
133.06465	0.5
134.03575	0.3
134.99622	0.2
135.03185	2.2
135.04036	0.1
138.03470	0.2
142.06595	0.6
143.00191	0.3
143.01862	0.2
143.07233	0.3
145.01656	0.2
145.03477	0.3
145.04967	0.8
147.03206	0.8
147.04318	0.3
148.07570	1.3
149.01154	0.1
153.04276	0.6
155.01904	0.3
157.01672	0.4
158.53882	0.2
158.99663	1.5
159.03207	0.3
159.06795	0.4
160.07581	100.0
161.01456	0.2
161.03000	0.1
161.04794	0.2
161.07925	0.4
163.02666	0.2
167.54436	0.3
170.99695	0.5
172.07596	0.2
173.01163	0.2
173.02968	0.3
173.04739	0.2
174.09166	0.2
175.02760	0.5
175.04500	0.2
177.00777	1.1
177.02098	0.2
177.02795	0.2
177.04179	1.0
177.10239	8.6
179.05815	0.1
183.03406	0.1
184.07611	0.3
185.02913	0.2
189.00746	0.7
189.04218	0.6
191.05788	0.3
201.00784	0.3
201.10150	0.1
202.08670	0.6
203.04196	0.2
203.05771	0.7
207.01807	0.4
213.04167	0.7
214.03979	0.2
219.01732	1.6
219.05267	0.9
219.11331	0.2
220.04718	0.2
220.06859	0.5
220.56998	0.2
229.01974	0.1
231.01726	0.4
232.04897	0.2
237.02831	1.8
244.06639	0.1
245.05084	0.3
248.57056	0.5
249.02745	0.3
249.06911	0.4
255.03883	0.9
258.07199	0.2
261.02884	0.3
274.10806	0.3
275.06052	0.2
277.05859	0.2
279.03915	1.9
279.07541	0.8
286.10611	0.2
292.11914	0.2
297.04898	0.9
297.08658	2.3
303.13589	0.2
304.11871	0.2
310.12787	0.4
321.04776	0.3
321.14481	0.3
322.12848	13.3
339.05655	0.2
339.09357	1.3
339.15521	4.9
339.22614	0.3
344.43253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.35569	0.7
65.03951	0.9
65.75763	0.6
66.16457	0.6
70.06585	1.1
70.37577	2.2
83.94827	0.5
91.05484	9.8
113.18237	0.6
119.04951	24.3
125.70769	0.5
147.04422	100.0
148.04790	0.9
331.82404	0.6
339.22754	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	339.1084
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01864	0.8
56.96561	0.9
57.03439	1.2
58.10249	0.6
61.02699	0.6
61.02932	7.1
67.41496	0.6
69.03418	2.0
70.79613	2.0
73.02917	1.7
76.18564	0.7
81.03406	1.2
85.02909	5.2
91.05482	6.6
97.02882	2.2
98.20873	0.6
98.97569	2.3
101.00919	1.1
103.00660	1.3
103.49169	0.7
105.07053	0.8
115.05429	1.1
116.98604	0.8
119.01902	2.3
119.04942	14.0
121.01668	0.8
127.02438	0.8
127.03910	1.5
129.42458	0.7
131.01889	1.3
132.08093	4.6
133.03459	2.4
135.03226	3.4
143.01939	1.2
143.07173	0.8
144.99716	0.7
145.03426	1.1
147.03314	2.8
147.04411	56.7
148.04716	1.2
148.07536	1.1
151.04480	0.7
151.21892	0.7
157.01660	2.0
157.03491	0.8
159.03235	1.6
160.07584	100.0
161.03008	0.8
161.07993	0.8
163.02695	0.8
167.01967	0.8
173.03029	2.1
175.02753	1.4
175.04636	1.0
177.00830	0.7
177.02528	1.6
177.04265	2.1
177.10249	10.1
185.02954	1.0
187.02710	0.8
187.04515	0.8
189.00777	0.9
189.02492	0.7
189.04301	1.1
197.02927	0.9
203.05876	1.4
218.03479	0.9
219.01701	4.8
219.03508	0.9
220.06926	2.3
220.57077	0.8
221.05069	1.5
223.04912	1.2
227.04002	2.8
228.05701	3.2
231.01703	1.2
237.02855	3.0
241.05771	1.3
245.05162	1.5
255.03880	1.4
273.00748	0.8
276.70636	0.7
277.06091	1.1
279.03751	1.0
279.07901	1.0
297.05185	1.1
297.08661	4.1
321.05038	1.4
322.12851	13.7
336.05328	0.6
339.05844	2.1
339.09595	0.9
339.15372	7.1
347.65918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.81681	0.4
55.79427	0.3
59.81158	0.3
63.45963	0.3
65.03936	1.0
67.22942	0.4
68.35573	0.4
68.70496	0.4
69.74749	0.4
71.20791	0.7
91.04974	0.7
91.05489	9.6
119.04945	24.4
120.05342	0.6
126.59647	0.4
147.04411	100.0
148.04718	0.9
338.04715	0.4
339.22736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17347	1.7
53.03939	2.3
55.05512	15.6
56.96566	4.1
57.03431	5.9
57.07074	2.3
59.04981	2.0
62.06091	100.0
62.26790	1.6
67.05505	53.6
68.05837	2.0
69.03418	2.1
69.07057	11.0
69.75909	9.2
71.04985	2.7
71.08625	7.0
72.08151	3.5
76.37156	1.7
79.05493	22.9
81.03412	3.4
81.07060	41.0
82.06610	2.5
82.07387	2.8
83.04977	4.4
83.08620	5.9
91.05477	11.8
93.07050	19.6
95.04976	5.7
95.08611	32.4
96.08928	3.2
97.06537	7.6
97.10152	4.3
98.06057	3.1
98.97591	9.3
99.08092	4.3
105.07004	9.9
107.04970	2.5
107.08595	13.4
109.10147	18.0
116.98669	3.3
117.07016	4.5
118.92129	2.4
119.08587	7.0
121.10146	7.5
123.11703	3.6
124.11250	4.4
125.09682	3.2
131.08578	4.4
133.10136	5.6
134.99681	2.0
135.08066	2.6
135.11702	6.9
136.93138	12.1
137.09621	2.0
140.63907	1.7
143.00203	3.1
145.10130	2.9
147.11664	3.5
149.13281	2.1
151.11261	2.6
154.94189	16.6
157.10080	1.8
159.08066	2.1
159.11700	2.8
161.13266	2.8
161.91649	1.9
163.03795	2.3
172.95294	17.5
179.14256	3.5
190.96400	4.8
196.13348	13.6
210.96849	4.0
214.14407	20.0
215.14352	1.9
216.15997	1.9
221.75876	2.0
222.18506	6.6
224.16418	3.5
224.58307	1.9
228.97818	4.2
240.19576	8.7
241.19646	1.6
246.70532	1.9
259.09830	3.4
261.22031	4.2
271.17020	2.3
274.97699	5.6
277.21634	5.1
288.16888	2.9
289.17947	4.2
292.98590	2.7
298.98303	5.2
307.51736	2.4
316.99411	9.8
317.12152	7.2
317.62115	4.3
320.25876	58.5
321.20813	3.1
321.24301	5.0
326.12662	2.2
335.00504	5.6
335.25925	3.6
338.13733	2.1
338.23584	10.0
338.27011	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	0.9
55.05516	21.5
57.03441	15.4
57.07074	5.2
57.51849	0.7
65.03932	1.7
66.63850	0.8
67.05511	48.7
69.03397	0.7
69.07072	30.4
69.32156	1.5
69.32571	5.0
71.04982	1.1
71.08624	2.3
75.40202	0.7
79.05064	0.9
79.05498	14.0
79.05954	0.8
81.07063	52.4
83.04976	1.9
83.08621	14.1
85.06548	2.1
91.05489	7.9
93.07059	12.6
95.04938	1.0
95.08611	39.7
97.06541	3.3
97.10168	8.4
98.21442	1.6
99.08058	1.2
105.07042	5.8
107.08603	8.0
109.06516	1.1
109.09462	1.2
109.10169	17.0
109.19466	0.7
111.08101	3.4
111.11712	2.3
119.08589	6.0
121.10155	7.1
123.08078	1.5
123.11702	6.7
125.09614	1.7
129.05475	1.3
133.10132	6.1
135.11681	2.4
137.13249	2.8
139.11159	1.1
145.10019	0.7
147.11696	2.5
148.47119	0.7
149.09647	4.4
149.13277	2.3
151.14789	1.2
153.09047	1.3
161.13283	2.6
163.14821	2.1
171.10179	1.1
175.14859	1.7
177.16356	1.1
184.19926	0.7
189.11005	0.9
193.02489	0.8
197.50287	0.7
245.22673	2.7
263.23709	5.1
337.27383	100.0
338.27661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.43559	0.5
53.03926	1.8
55.01864	0.8
55.05513	27.8
57.03438	16.2
57.06833	0.5
57.07077	4.1
58.30380	0.5
62.55735	0.5
65.03931	2.3
67.05505	58.7
69.03410	0.6
69.07069	32.7
69.40629	4.2
71.04990	1.4
71.08620	1.7
71.71097	0.5
77.03902	0.7
79.05494	15.1
79.05955	0.8
81.07058	61.6
83.04978	1.8
83.08622	17.4
85.06535	1.4
85.10197	0.8
91.05480	9.0
93.06472	1.0
93.07042	15.1
95.04951	1.2
95.08607	46.7
97.06532	3.7
97.10168	10.5
99.08099	1.1
105.07029	6.1
107.08591	7.2
109.06506	1.2
109.10158	17.8
111.08079	2.1
111.11710	2.0
113.09637	0.6
119.08586	6.3
121.10145	7.4
123.08074	0.7
123.11719	6.6
125.09653	1.2
132.27515	0.6
133.10129	6.1
135.11699	4.4
137.09624	1.3
137.13191	2.9
139.11211	0.7
142.48576	0.5
147.11653	3.0
149.13312	3.0
151.11250	0.8
151.14795	1.2
161.13239	3.1
163.14832	2.2
165.16344	0.6
175.14799	2.1
184.96552	0.4
189.16388	0.7
204.94232	0.5
207.17499	0.6
235.61902	0.6
237.19165	0.5
245.22647	3.4
256.06549	0.5
263.23682	5.3
337.27368	100.0
338.27707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.98716	0.7
52.76536	0.7
53.03937	2.1
55.01879	1.3
55.05515	27.2
57.03152	0.8
57.03438	13.1
57.07085	3.8
58.22317	0.6
65.03931	1.5
67.05507	50.6
69.03451	0.9
69.07071	33.0
71.04984	2.9
71.08624	2.1
71.30530	1.3
79.05495	15.5
81.07059	54.1
83.04981	1.9
83.08622	18.4
85.06554	1.7
91.05483	12.3
93.07050	17.0
95.04974	2.0
95.08609	46.3
97.06549	3.6
97.10168	9.4
99.08095	1.3
105.07042	12.4
107.08590	11.9
109.06536	2.0
109.10162	19.6
111.08109	1.5
111.11761	2.2
113.09708	0.9
117.07019	1.1
119.08589	11.5
121.10149	11.5
123.08094	2.0
123.11713	8.6
123.44542	0.7
125.05312	0.8
125.09630	1.0
125.83134	0.8
129.06989	0.9
131.08606	4.6
133.10129	9.6
135.08084	3.2
135.11719	3.1
137.09647	1.4
137.13290	2.9
142.07805	0.9
143.08617	2.7
145.10107	5.3
147.11708	5.3
149.13338	3.5
151.11169	1.1
151.14857	0.7
153.12735	0.9
155.08597	1.4
157.10135	3.6
159.11693	2.5
161.09644	2.6
161.13293	3.1
163.14882	2.4
169.10162	2.1
171.11781	2.5
173.13271	1.8
175.14828	3.6
177.16415	2.1
181.10202	1.1
183.11710	1.9
185.13275	0.9
189.16476	1.7
195.11711	1.1
197.13306	2.6
199.14827	1.2
201.12794	1.2
209.13350	2.0
211.14713	0.9
215.14430	1.4
223.14757	1.6
237.16422	1.2
239.18091	1.0
245.22729	2.5
257.19177	0.8
263.23651	3.6
279.21115	1.8
337.10632	1.1
337.27487	100.0
338.27786	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03936	2.0
55.01866	1.4
55.05514	30.5
57.03440	17.9
57.07080	3.7
64.68012	0.5
65.03945	1.5
67.05509	56.2
69.07071	33.0
69.07458	1.1
69.45039	3.2
69.45455	0.9
71.04405	0.4
71.04995	1.6
71.08637	2.5
73.95095	0.5
79.05495	15.3
81.07059	57.6
83.04992	1.4
83.08141	1.0
83.08622	15.9
85.06544	1.1
85.10160	0.8
91.05479	9.7
93.07049	14.8
95.04955	1.0
95.08611	43.0
97.06527	3.6
97.10179	9.2
97.36565	0.5
98.20728	0.6
99.08087	0.8
105.07037	6.6
107.08598	7.6
109.06504	0.7
109.10164	15.8
111.08070	2.0
111.11718	1.5
113.09624	0.9
119.08587	4.6
121.10137	7.5
123.08017	0.7
123.11711	6.9
125.09650	0.9
127.11187	0.6
133.10118	4.9
135.11710	4.0
137.09666	0.6
137.13263	3.2
139.11151	0.8
147.11713	3.3
149.13284	2.6
151.14810	1.9
161.13283	3.1
163.14850	2.5
165.12755	0.6
165.16353	0.7
175.14890	2.7
189.16324	0.7
245.22710	2.5
263.23743	3.9
304.35425	0.7
337.27377	100.0
338.27689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03942	1.4
55.01870	1.0
55.05516	20.2
57.03440	15.8
57.07066	2.8
63.91079	0.6
65.03930	0.8
67.05508	46.0
69.07073	25.5
71.04989	0.9
71.08621	1.4
79.05495	11.8
81.07059	51.8
83.04996	1.0
83.08616	14.2
85.06514	1.0
91.05480	6.7
93.07049	12.0
95.04984	1.1
95.08611	43.7
97.06521	3.3
97.10175	8.6
99.08090	1.8
105.07039	5.3
107.08611	8.3
109.06511	0.8
109.09464	1.2
109.10162	19.4
111.08075	2.5
111.11742	2.1
117.53355	0.7
119.08594	7.1
121.10149	6.7
123.11719	8.7
125.09666	1.7
129.05470	1.1
133.10130	6.3
135.11681	3.7
137.09634	1.2
137.13242	2.7
139.11160	0.9
147.11697	3.9
149.13255	3.3
151.11176	0.6
151.14807	1.3
153.12646	0.7
159.08127	1.5
161.13275	2.7
163.14812	2.1
165.16362	0.8
175.14833	2.1
189.16348	1.2
221.74216	0.6
245.22675	5.3
263.23776	7.9
271.16986	0.9
337.27377	100.0
338.27911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	28.9
57.03429	9.3
57.07067	5.3
67.05508	45.1
69.07072	43.4
70.12556	8.8
71.05000	31.7
79.05498	26.1
81.07061	74.3
83.08637	16.0
84.80293	2.7
85.06536	3.5
91.05487	25.7
93.07052	40.1
95.04977	16.1
95.08614	100.0
97.06532	6.7
97.10166	5.3
103.05427	3.8
105.07040	67.0
107.08589	37.5
109.06528	9.9
109.10162	31.4
111.08070	5.1
117.07028	12.4
119.08585	68.1
121.10144	78.2
123.08076	9.1
123.11705	48.3
128.06223	6.1
128.60608	3.1
129.06985	7.2
131.08563	39.2
133.10129	28.8
135.07167	4.4
135.08028	21.8
135.11688	12.1
137.09583	6.8
137.13240	6.3
141.07007	4.5
142.07799	10.8
143.08575	22.5
144.09323	6.5
145.10150	45.9
146.10771	3.3
147.08109	5.3
147.11705	20.4
149.09650	5.6
149.13225	5.8
153.83609	3.1
155.08551	11.9
156.09364	8.6
157.10129	48.3
159.08063	4.3
159.11681	20.5
161.09650	28.2
161.13248	7.3
163.14816	4.7
167.08533	5.2
169.10124	20.2
170.10881	5.1
171.11671	22.4
171.80186	3.2
172.12460	4.2
173.13243	10.5
175.11201	5.5
175.14862	17.3
177.16351	10.2
179.08583	4.1
180.09206	3.1
181.10097	10.2
182.10873	8.0
183.11700	19.9
185.13315	7.0
187.14818	10.1
189.16380	5.2
193.10143	6.1
195.11719	7.4
197.13257	31.6
198.14085	4.2
199.11264	3.3
199.14830	10.8
201.12740	8.8
201.16394	8.6
209.13272	10.6
211.14844	8.9
213.12619	6.2
213.16254	3.9
215.14291	17.0
221.13309	3.3
223.14812	9.0
225.16417	6.3
237.16426	4.1
239.18024	7.2
241.16081	2.7
248.59401	2.9
251.17937	4.1
253.19460	9.1
253.85001	2.7
263.17868	4.6
263.23801	3.3
279.20990	14.3
281.19031	5.4
294.23355	6.0
294.55826	3.0
319.24170	4.5
337.24957	27.6
337.27536	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
63.96324	2.0
69.98322	5.8
69.98705	4.2
91.52876	2.2
103.02476	2.2
133.03488	12.5
145.03459	3.5
151.76938	2.4
155.01883	3.2
175.04518	6.3
181.67226	2.3
201.06155	5.1
211.04500	4.9
211.20320	2.2
217.01880	5.1
217.05562	3.6
232.43433	2.2
250.32213	2.4
277.07657	6.6
295.08780	12.4
317.33347	2.4
337.08984	100.0
338.13593	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	337.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08014	1.7
53.03943	4.6
55.01873	9.4
55.05510	24.0
56.96562	3.1
57.03443	11.8
59.04990	6.5
60.32808	1.9
64.24114	1.9
65.03931	7.6
67.05178	3.8
67.05510	56.3
67.06612	1.8
67.15950	1.9
69.03440	4.5
69.07063	29.5
71.04985	14.4
71.21565	3.3
73.06562	11.0
79.05489	47.6
81.03426	3.9
81.07060	80.0
83.04980	5.5
83.08610	6.7
85.06540	13.0
91.05483	36.2
93.07053	47.0
95.04974	26.0
95.08049	2.4
95.08613	25.9
97.06524	11.7
97.10159	4.6
97.82855	1.8
98.97580	1.9
99.08096	100.0
103.05451	1.9
105.03397	2.1
105.07033	26.6
107.04945	12.4
107.08601	30.9
109.06523	54.2
109.10175	6.7
111.08071	3.6
113.05972	2.1
115.05457	2.1
116.16655	1.9
117.07012	15.5
119.08580	33.1
120.78413	1.8
121.06503	10.2
121.10154	30.6
123.08063	13.8
125.06000	4.2
125.09625	11.7
127.07551	13.4
128.06200	3.5
129.06989	8.6
131.08577	22.2
133.06485	8.1
133.10159	12.2
135.08046	25.1
135.11673	16.0
137.09596	9.6
141.09094	6.3
141.99323	1.9
143.08571	11.3
145.10127	24.1
147.08072	14.1
147.11632	9.2
149.09616	10.6
151.11130	1.9
153.09108	5.3
155.08533	2.3
157.10115	9.5
159.08052	3.6
159.11687	11.0
161.09596	13.5
161.13232	3.7
163.11171	20.4
163.39619	2.0
167.10728	3.8
169.10150	2.8
171.11725	8.4
173.09631	4.4
175.11189	7.8
177.12703	6.4
183.11722	3.6
185.09755	2.4
185.13220	3.9
185.95909	1.8
187.11250	2.7
189.12767	4.9
191.10687	5.3
195.11795	2.1
195.13811	5.1
201.12842	2.6
203.12697	3.5
211.14777	2.3
213.16551	2.7
217.15854	6.6
227.16367	31.7
233.15399	3.2
237.16539	3.0
245.19025	4.5
249.18565	3.1
255.17505	9.5
263.20026	2.9
265.18100	2.8
273.18500	38.7
275.20117	3.2
277.21677	2.4
279.19666	8.0
287.16708	2.0
287.19983	4.8
293.52975	1.8
305.11813	2.4
305.17780	2.4
305.21078	62.7
319.22501	15.5
337.19971	5.3
337.23645	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	337.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	5.1
58.99868	3.2
61.91756	1.6
69.03421	2.0
71.04259	3.5
77.00900	2.0
82.99820	3.5
84.08129	1.7
85.01413	6.4
85.02901	5.8
89.00900	3.8
94.05592	1.4
94.99872	2.0
97.02885	2.2
98.97590	5.5
101.00890	28.7
103.00628	1.9
103.02444	21.0
110.97478	1.6
113.00859	10.9
115.02442	11.4
119.01926	25.2
121.01669	2.4
121.03474	4.9
127.02429	21.2
127.03930	2.3
129.04053	2.6
131.01915	25.3
133.03477	100.0
137.00883	2.1
139.02414	7.7
141.03969	2.3
143.01894	20.9
145.01715	2.9
145.03471	69.7
146.05960	2.0
147.01352	2.7
148.07553	6.6
149.02954	2.7
151.04549	29.9
155.00632	2.3
155.01900	36.1
157.03471	35.1
158.05992	2.9
158.99559	1.8
159.05057	9.4
159.14801	1.6
161.02972	21.0
163.02711	2.3
163.04526	5.9
165.52367	2.0
167.01910	3.6
169.03453	7.5
171.01382	12.1
171.05013	7.8
173.01442	1.7
173.02965	44.0
175.04536	54.3
175.08670	29.9
179.15843	1.6
181.03505	8.9
183.01355	5.8
185.02965	14.4
187.04506	31.4
189.00826	3.3
189.02452	13.4
189.03986	2.0
189.06104	11.1
190.33908	1.7
191.04025	4.8
193.00211	1.8
193.03487	1.7
197.02849	1.9
199.00838	6.9
199.04518	9.3
201.02469	4.7
201.06075	31.1
203.04002	16.3
211.04552	30.0
211.06532	3.2
217.01971	94.6
217.05408	29.2
221.05092	32.1
229.01944	25.0
229.05574	5.1
235.03026	24.3
235.06668	3.2
237.02837	1.8
239.06155	33.4
247.02974	13.4
247.06650	14.2
259.06601	1.8
263.00592	3.2
265.07843	9.6
275.06152	33.6
277.04099	13.1
277.07678	38.7
291.05676	3.3
295.08780	85.0
296.08466	1.9
319.05118	40.7
337.06030	30.1
337.09558	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	336.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11594	0.8
55.05514	3.8
56.96572	7.2
57.03421	1.9
57.07079	0.9
67.05508	8.7
68.05843	1.4
69.03434	1.0
69.07069	4.4
70.06615	1.0
71.08671	0.7
71.56850	1.2
79.05504	5.3
81.07065	8.4
82.01399	0.8
82.07391	2.2
83.08622	2.6
85.06542	1.2
89.08743	0.7
91.05457	3.9
92.17423	0.9
93.07059	6.7
94.06552	1.3
94.07421	1.5
95.04970	1.2
95.08623	5.5
96.08901	1.2
97.06527	1.2
97.10126	1.6
98.59085	0.9
105.07021	2.9
107.08604	3.7
108.08148	0.8
108.08935	0.8
109.06564	1.3
109.10150	3.5
110.06037	2.6
117.07009	1.2
119.08558	3.9
120.08959	0.8
121.10143	2.5
123.08099	1.1
131.08580	1.3
132.08913	1.2
133.10072	1.6
134.10449	0.8
135.11699	1.7
145.10100	1.5
147.11720	1.6
149.13231	0.8
152.14360	1.0
154.12170	1.5
156.73897	0.8
161.13315	1.0
175.02835	4.5
193.03946	1.8
213.07860	0.9
259.20541	2.3
276.23209	2.6
277.21664	3.5
294.24240	11.0
295.12183	2.5
313.13281	3.6
318.24185	2.4
336.22205	100.0
336.25696	19.0
337.23401	3.3
349.16766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	5.1
58.99868	3.2
61.91756	1.6
69.03421	2.0
71.04259	3.5
77.00900	2.0
82.99820	3.5
84.08129	1.7
85.01413	6.4
85.02901	5.8
89.00900	3.8
94.05592	1.4
94.99872	2.0
97.02885	2.2
98.97590	5.5
101.00890	28.7
103.00628	1.9
103.02444	21.0
110.97478	1.6
113.00859	10.9
115.02442	11.4
119.01926	25.2
121.01669	2.4
121.03474	4.9
127.02429	21.2
127.03930	2.3
129.04053	2.6
131.01915	25.3
133.03477	100.0
137.00883	2.1
139.02414	7.7
141.03969	2.3
143.01894	20.9
145.01715	2.9
145.03471	69.7
146.05960	2.0
147.01352	2.7
148.07553	6.6
149.02954	2.7
151.04549	29.9
155.00632	2.3
155.01900	36.1
157.03471	35.1
158.05992	2.9
158.99559	1.8
159.05057	9.4
159.14801	1.6
161.02972	21.0
163.02711	2.3
163.04526	5.9
165.52367	2.0
167.01910	3.6
169.03453	7.5
171.01382	12.1
171.05013	7.8
173.01442	1.7
173.02965	44.0
175.04536	54.3
175.08670	29.9
179.15843	1.6
181.03505	8.9
183.01355	5.8
185.02965	14.4
187.04506	31.4
189.00826	3.3
189.02452	13.4
189.03986	2.0
189.06104	11.1
190.33908	1.7
191.04025	4.8
193.00211	1.8
193.03487	1.7
197.02849	1.9
199.00838	6.9
199.04518	9.3
201.02469	4.7
201.06075	31.1
203.04002	16.3
211.04552	30.0
211.06532	3.2
217.01971	94.6
217.05408	29.2
221.05092	32.1
229.01944	25.0
229.05574	5.1
235.03026	24.3
235.06668	3.2
237.02837	1.8
239.06155	33.4
247.02974	13.4
247.06650	14.2
259.06601	1.8
263.00592	3.2
265.07843	9.6
275.06152	33.6
277.04099	13.1
277.07678	38.7
291.05676	3.3
295.08780	85.0
296.08466	1.9
319.05118	40.7
337.06030	30.1
337.09558	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	336.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39752	0.6
53.03952	0.6
55.05489	2.6
56.96558	1.6
67.05508	8.5
68.05032	5.2
69.03407	0.8
69.07059	1.9
69.49413	3.8
70.06599	9.0
75.54082	0.5
79.05499	7.2
80.05014	0.7
80.55177	0.6
81.07059	8.0
83.04984	0.6
83.08615	1.1
84.08164	0.7
85.06538	1.0
90.74791	0.5
91.05485	5.6
93.07044	4.1
94.06554	1.3
95.04951	1.0
95.08604	4.4
97.06509	1.6
98.97569	2.3
100.07614	3.1
105.07029	2.7
106.06543	2.5
107.07379	0.7
107.08595	2.5
108.08096	2.5
109.10114	1.0
114.05535	8.7
116.98618	1.0
117.06956	1.0
118.06502	1.1
119.08572	1.7
120.08120	4.1
121.10129	1.6
122.09636	1.8
128.07080	2.6
129.06984	1.2
131.08545	1.5
132.08087	1.2
133.10100	1.5
134.09654	7.4
135.10439	1.0
140.07033	1.8
143.08571	0.7
145.10147	0.8
146.09566	1.3
147.04414	0.9
147.11656	1.0
148.11200	5.5
152.07083	0.7
154.08644	1.9
163.11055	0.7
164.07076	4.5
166.08800	0.7
173.13222	1.5
177.00748	0.7
178.08640	2.5
180.10210	13.7
181.88429	0.6
194.11832	1.1
220.09460	1.2
243.15843	1.5
258.18497	1.2
269.17471	1.1
276.19568	4.3
288.92078	0.8
290.21030	4.4
302.17459	0.6
304.19070	13.5
336.21689	100.0
337.14102	1.7
337.21927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2171
Annotation	Dendrine
Peak:m/z	Relative Intensity
53.03956	0.5
55.01873	0.5
55.05515	2.1
55.97070	0.3
56.05032	0.4
56.96557	0.4
57.03455	0.4
59.05003	0.4
65.03951	0.4
67.05514	5.3
68.05034	2.5
69.03420	0.7
69.07066	1.7
69.23991	2.2
69.24414	1.2
70.06599	8.7
71.04984	0.3
79.05495	4.3
80.05011	0.9
81.03400	0.3
81.07064	5.7
82.06591	0.5
83.04955	0.6
83.08607	0.6
85.06528	0.6
91.05483	3.9
93.05774	1.1
93.07046	2.9
94.06579	1.8
95.04972	0.5
95.08620	3.0
96.08140	0.5
97.02880	0.4
97.06514	1.3
98.06064	0.6
98.97588	0.6
100.07616	2.5
105.07040	2.6
106.06578	3.0
107.07369	0.5
107.08609	2.2
108.08125	2.3
109.06499	0.4
109.10142	0.6
114.05532	3.8
116.07080	0.6
117.05756	0.4
117.07013	1.3
118.06516	1.1
119.07323	0.6
119.08597	1.4
120.08113	3.6
120.56891	0.4
121.08892	0.5
121.10149	0.7
122.09652	1.1
128.07082	2.5
131.08562	1.5
132.08115	0.8
133.08855	0.6
133.10126	0.6
134.09668	8.5
135.08067	0.4
135.10455	1.5
135.11658	0.6
136.11217	0.5
140.07077	0.5
143.08542	0.4
145.10094	0.6
146.09618	0.8
147.11630	0.6
148.07632	0.6
148.11232	7.4
149.13266	0.5
152.07118	0.4
152.10695	0.7
154.08629	1.5
162.12749	0.6
163.39285	0.3
164.07077	6.1
165.07811	0.4
166.08669	0.9
171.11794	0.4
173.13232	0.8
176.14482	0.4
177.07961	0.4
178.08665	2.8
179.09453	0.7
180.10207	16.2
194.08200	0.5
194.11813	1.2
246.15305	0.4
258.18610	1.9
260.20013	0.4
269.17526	0.4
274.21188	0.4
276.19601	3.2
290.21146	3.6
302.17548	1.3
304.19107	11.9
308.22391	0.5
336.21689	100.0
337.14371	0.5
337.21930	1.2
350.28928	0.4
355.88345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2168
Annotation	Dendrine
Peak:m/z	Relative Intensity
50.92221	0.4
53.03945	0.6
53.24844	0.4
55.05497	1.4
56.96531	0.4
57.30740	0.4
62.12916	0.4
65.03931	0.7
67.05225	0.4
67.05508	4.9
68.05025	2.9
69.07056	1.7
69.40666	2.7
69.41077	0.8
70.06593	10.3
71.04976	0.4
71.76738	0.4
73.24966	0.4
79.05494	4.2
80.05001	1.2
81.07059	4.1
83.04988	0.5
83.08620	0.8
85.06519	0.8
91.05486	3.0
93.05782	1.3
93.07037	3.5
94.06550	1.2
95.08613	2.7
97.06525	0.6
98.06036	0.6
98.21528	0.7
100.07614	2.2
105.07018	1.9
106.06564	3.5
107.07309	0.6
107.08601	1.6
108.08108	1.7
109.06499	0.5
109.10149	0.6
114.05521	3.0
117.07014	1.5
118.06558	0.8
119.04939	0.4
119.08581	1.1
120.08119	4.9
121.10144	0.5
122.09663	1.3
125.05950	0.5
126.89571	0.4
128.07089	1.9
131.08548	1.3
132.08087	1.1
133.08896	0.5
133.10085	1.0
134.09651	8.4
135.10442	1.4
136.11177	0.5
144.81895	0.4
145.10141	0.6
146.09622	1.0
147.11655	0.4
148.07669	0.4
148.11215	7.7
148.12305	0.7
149.13307	0.5
150.46011	0.4
152.07063	0.5
152.10696	0.9
154.08626	1.1
160.11272	0.5
164.07065	7.2
166.08673	1.0
174.62540	0.4
178.08679	2.6
179.09413	1.4
180.10197	15.6
192.10281	0.5
194.11783	1.3
243.15822	0.5
258.18546	1.7
262.14386	0.7
276.19537	4.0
290.21103	4.6
302.17462	1.6
304.19046	13.9
334.19775	0.5
336.21695	100.0
337.22000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.192
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05516	0.7
56.96564	0.5
62.92353	0.5
69.03426	0.8
69.07059	0.6
69.42960	4.1
70.06593	1.0
71.04987	0.6
79.05491	1.1
81.07059	0.7
84.08138	0.7
86.09707	100.0
91.05460	1.0
93.07027	0.9
98.09679	3.0
98.97555	1.0
103.05486	2.0
107.04952	1.3
120.08108	75.6
131.04964	1.3
132.10207	1.5
143.11800	79.4
144.10187	6.5
149.05988	0.8
166.08644	36.8
171.11293	25.2
177.10219	10.6
205.09732	3.2
279.17133	0.7
290.10187	0.8
318.19034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1919
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
55.05522	0.5
56.05034	0.3
57.03448	0.4
63.52979	0.2
64.55772	0.2
67.05517	0.4
69.37400	0.2
70.06600	0.5
70.79447	0.3
71.57397	0.3
72.08151	0.5
75.05610	0.3
81.03439	0.3
81.07057	0.6
82.06588	0.4
83.08615	0.4
84.08142	0.3
86.09711	12.6
91.05488	0.5
93.07063	0.8
98.09692	1.5
98.97549	0.3
100.11261	1.7
103.05468	1.4
110.06069	0.3
120.08111	100.0
121.08425	0.4
132.10202	6.4
143.11823	1.1
144.10202	3.1
148.07549	0.6
177.10236	51.5
178.10622	0.4
205.09729	13.2
209.16521	1.8
228.15910	0.4
240.07304	0.3
262.77774	0.3
279.17026	1.4
281.08359	0.4
309.07452	0.8
318.18997	0.6
336.18814	0.3
336.22961	0.5
337.06992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	8alpha,13R-Epoxy-14-labden-19-oic acid
Peak:m/z	Relative Intensity
53.03935	7.8
54.08826	1.8
55.01875	9.1
55.05515	14.6
57.03447	22.3
57.07062	4.7
67.05173	3.4
67.05510	49.2
69.03431	2.9
69.07078	25.3
70.30123	7.1
71.04991	2.4
78.05760	1.6
79.05069	2.2
79.05499	37.7
81.03439	11.7
81.07062	62.5
83.04963	4.5
83.08614	8.4
85.06530	5.9
91.05489	39.8
93.07048	41.6
95.04969	8.3
95.08614	53.0
97.06543	19.7
97.10169	3.3
105.06388	3.1
105.07039	38.3
107.04975	6.4
107.08599	27.4
109.06525	7.6
109.10157	17.9
111.08044	3.4
117.07030	8.6
119.08591	25.2
121.10157	19.8
123.08066	3.7
123.11716	3.9
131.08569	20.8
133.10135	23.3
135.08057	2.2
135.11688	15.2
137.09613	4.2
143.08591	3.1
145.10179	11.0
147.11713	14.9
149.09608	3.1
149.13283	3.6
151.11131	2.5
157.10106	2.5
159.11725	9.2
161.13260	5.2
163.14836	2.7
165.12794	3.2
173.13205	4.0
187.14806	4.7
207.17502	11.3
209.12079	2.2
213.16406	2.2
231.17456	6.3
235.25479	1.8
237.18445	5.3
247.20584	100.0
263.20154	4.2
275.23672	5.4
285.22119	7.0
303.23199	55.7
317.24628	2.7
335.25836	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03949	1.1
55.01859	0.7
55.05515	9.2
57.03441	4.5
57.07067	2.6
62.02665	0.7
65.03927	1.1
66.60851	0.6
67.05505	24.1
69.03435	0.9
69.07072	8.5
69.26929	2.5
69.27355	3.3
71.04990	1.2
71.08644	1.4
71.26057	0.6
75.20634	0.6
79.05485	11.6
81.07059	21.2
83.04961	1.0
83.08619	4.3
85.06532	1.8
86.63379	0.6
89.06026	0.8
91.05486	6.5
93.07046	14.8
95.04956	1.5
95.08608	21.3
97.06490	1.6
97.10165	2.6
98.20599	0.6
99.08088	1.5
105.07040	4.2
107.08591	9.2
109.06520	8.4
109.10159	9.3
111.08083	2.2
117.07018	2.2
119.08581	5.2
121.06456	0.8
121.10144	7.9
122.07272	0.9
123.08073	28.6
123.11686	3.4
125.09602	0.9
131.08565	2.4
133.10135	3.6
135.08026	2.9
135.11688	3.7
137.09604	3.7
137.13252	1.3
139.11235	1.1
142.34009	0.7
145.10147	2.4
147.11674	2.5
149.09682	1.1
149.13248	2.4
151.11172	2.6
159.11719	2.0
161.13234	2.4
163.11159	0.8
163.14821	1.1
165.12820	1.5
173.13264	1.2
177.12810	0.8
179.14316	26.8
187.14799	1.3
193.15938	0.7
195.75391	0.6
201.16483	0.7
261.22189	1.8
279.19455	3.0
303.23288	4.5
335.25800	100.0
336.25970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.9
55.05511	18.7
57.03197	1.3
57.03443	21.1
57.07073	2.1
62.68329	1.0
65.03939	3.3
67.05509	70.7
69.06721	1.5
69.07070	20.5
69.23138	10.0
70.76659	0.9
71.04987	1.3
71.75520	0.9
79.05498	36.9
81.07060	61.6
83.04977	2.0
83.08611	7.2
85.06587	1.4
91.05487	16.2
91.63741	0.9
93.07051	40.0
95.04961	2.4
95.08614	49.4
97.05062	0.9
97.06510	2.9
97.10179	2.2
98.98472	1.3
104.83311	1.0
105.04523	1.0
105.07030	10.8
105.37521	1.0
106.83270	1.1
107.08599	18.7
108.83694	1.1
109.06500	1.6
109.10168	19.4
117.07005	2.6
119.08620	7.7
121.10148	13.1
123.08044	1.3
123.11720	5.7
131.08574	4.6
133.10155	5.5
135.11699	10.0
137.09557	0.9
144.97310	1.1
145.10118	3.6
147.11659	4.2
149.13257	3.6
159.11673	2.0
161.13245	2.8
173.13199	2.3
174.21954	0.9
187.14888	1.4
224.20221	0.9
243.21010	1.9
261.22153	3.9
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	2.1
55.01878	1.9
55.05513	12.3
56.96563	0.7
57.03440	18.6
57.07080	3.2
65.03945	2.1
67.05506	59.3
69.03462	0.5
69.07069	10.6
69.96413	2.2
71.04988	1.6
71.08635	1.2
73.02927	0.5
73.06511	0.4
77.03913	0.4
79.05494	33.1
80.39352	0.5
81.03419	1.3
81.07059	60.4
83.04984	1.4
83.08620	6.5
85.06550	1.9
91.04893	0.7
91.05480	17.4
93.07046	42.0
95.04959	2.2
95.08609	51.3
97.06524	2.9
97.10168	2.9
99.08088	1.1
100.79079	0.4
101.06014	0.9
103.03971	1.0
105.04491	0.6
105.07032	12.4
107.08597	23.8
107.89651	0.4
109.06509	1.4
109.10158	21.0
111.08104	0.8
113.09705	0.6
117.07011	4.4
119.08584	10.7
121.10144	19.5
123.08051	1.4
123.11707	6.8
125.09663	0.6
129.05489	3.4
129.06998	0.6
131.08574	10.5
133.10130	8.9
133.11086	0.7
135.08104	0.9
135.11697	14.1
137.09647	1.2
137.13255	2.8
143.08542	0.9
145.10120	8.0
147.11681	5.9
149.09605	1.8
149.13269	7.5
151.11179	0.4
151.14888	1.2
155.07030	0.5
157.10201	0.5
159.11716	5.5
161.13280	4.8
163.11151	0.8
163.14835	3.8
165.16364	0.4
170.01535	0.5
171.11707	1.1
173.13252	5.3
175.14804	2.2
177.12758	1.4
177.16362	2.2
187.14824	2.4
189.16403	0.9
191.14279	1.1
195.13791	0.6
201.16454	1.3
203.17952	0.5
215.17955	0.7
217.19489	1.1
219.13994	0.5
219.17487	0.6
219.21124	1.3
233.22624	1.4
239.11340	0.6
243.21098	13.3
245.22662	1.0
257.12415	0.7
261.22141	12.1
277.21750	0.8
279.23123	1.0
289.25714	0.5
291.23224	0.5
299.23752	0.7
305.24811	0.6
317.24796	6.6
335.21750	18.8
335.25732	100.0
336.26050	0.8
353.21753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.03941	0.4
54.05349	0.3
55.05504	2.1
57.03430	1.2
58.12728	0.3
62.40143	0.3
63.71617	0.3
67.05506	6.2
69.07078	1.7
69.61127	2.3
79.05497	3.2
81.07058	5.0
83.08614	0.6
91.05519	1.7
93.07050	2.9
95.08607	3.7
101.58926	0.3
105.07037	1.2
107.08624	1.8
109.10173	1.1
117.07066	0.5
119.08611	0.9
121.10145	1.0
123.11715	0.5
133.10179	0.5
135.11719	0.7
147.11700	0.6
161.09619	0.4
165.38766	0.4
173.13292	0.4
335.21964	100.0
335.25729	8.1
336.22217	1.4
336.25754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92584	0.6
53.03951	1.5
55.01867	1.2
55.05310	0.6
55.05516	7.9
57.03192	0.8
57.03444	9.7
57.07064	1.2
65.03941	0.8
67.05511	33.7
69.03437	0.7
69.06783	0.6
69.07076	7.6
71.04981	1.5
71.57568	1.0
79.05499	18.4
81.07061	32.6
83.08633	3.3
85.06535	1.5
91.04969	0.9
91.05488	10.5
93.06472	1.2
93.07049	21.5
95.04980	1.5
95.08614	26.5
97.06528	1.7
97.10148	1.4
98.98449	1.6
103.03908	0.7
105.07039	7.1
107.08596	13.1
109.06495	1.1
109.10171	10.7
111.08123	1.1
117.07013	2.3
119.08595	7.0
121.10143	8.5
123.08098	0.9
123.11725	3.8
129.05466	1.4
131.08572	4.7
133.10173	4.1
135.08000	0.6
135.11703	6.3
137.13251	1.1
145.10149	3.5
147.11700	2.1
147.36559	0.6
149.09557	0.8
149.13277	3.8
159.11720	2.4
161.13254	2.7
163.14815	2.4
173.13245	2.5
175.14850	1.5
177.16422	1.1
187.14760	1.2
243.21021	3.7
261.22162	5.7
304.06818	0.7
317.24768	1.2
335.21878	100.0
335.25806	59.9
336.22260	1.4
336.25946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42872	0.5
55.01880	0.6
55.05498	1.6
56.96564	0.8
57.03431	2.4
57.03701	0.5
60.11009	0.5
65.03920	0.8
67.05508	8.1
69.07082	2.8
69.58073	3.6
70.05072	0.5
72.50109	0.5
79.05497	4.9
81.07063	8.4
83.04986	0.6
83.08617	1.4
91.05476	2.7
93.07048	5.6
95.04973	1.6
95.08614	6.3
96.47884	0.6
97.06545	1.0
97.10132	0.8
99.08145	0.5
105.07037	2.4
107.08614	4.0
109.06506	0.6
109.10150	2.5
111.08084	0.6
117.07006	1.0
119.08555	2.5
121.10155	2.7
123.11715	0.9
129.05548	0.6
131.08563	2.3
133.10156	1.9
135.11719	2.1
145.10239	1.0
147.04446	0.9
147.11670	1.7
149.13281	1.1
159.11732	1.0
161.13292	0.6
163.14853	0.8
163.84331	0.5
173.13243	1.1
187.14871	0.6
303.19992	0.7
303.23279	2.3
317.24634	1.4
335.21979	100.0
335.25711	8.6
336.22290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05495	0.9
55.19194	0.3
57.03415	0.5
67.05499	1.7
69.07059	0.8
70.56719	0.9
70.57088	0.7
72.62579	0.4
73.38799	0.5
79.05479	1.1
79.60966	0.4
81.07055	1.7
87.54546	0.4
91.05453	0.9
93.07037	1.3
95.08601	1.7
100.32056	0.4
105.07045	0.9
107.08570	0.6
119.08620	0.9
121.10210	0.4
133.10092	0.5
137.05940	0.6
147.11789	0.4
161.13324	0.5
180.32028	0.5
259.12332	0.6
275.20142	1.0
335.21933	100.0
336.22363	1.0
353.19699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.95073	5.0
51.15196	4.3
55.74530	5.0
56.24297	5.4
70.98103	6.3
70.98423	10.6
74.14532	4.6
79.84018	4.1
85.02852	6.3
90.00473	4.9
101.00916	7.9
119.01908	8.8
131.01886	7.2
133.47595	4.3
140.59180	4.6
143.01894	20.1
145.03470	9.8
155.01883	11.2
161.02945	12.5
173.02898	6.9
173.06558	8.0
189.48315	4.7
203.03978	5.4
220.04536	6.7
245.04942	6.0
275.06134	7.7
275.09705	6.0
293.10754	14.4
335.07330	100.0
335.11053	75.8
335.19394	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.3
56.96558	11.7
57.03421	5.4
61.02917	11.9
69.03401	9.1
69.49847	4.5
69.50247	21.1
84.08149	4.4
85.02912	19.2
92.76231	3.2
97.02892	16.7
98.97581	9.7
101.00880	34.9
110.01268	4.4
113.00842	7.6
114.05547	4.4
119.01916	41.6
122.87308	3.9
123.05550	31.2
127.02412	6.6
127.03910	10.7
128.98564	6.9
131.00226	4.4
131.01878	17.5
133.03459	7.6
143.01923	31.1
145.03448	15.5
146.99651	5.1
147.04335	5.0
151.93767	4.1
155.01909	8.1
157.03485	10.9
161.02982	30.8
165.00647	6.0
169.03458	10.9
173.02974	13.4
185.02946	16.2
185.09264	7.2
187.04514	19.6
189.00653	5.0
197.03008	8.3
199.01088	3.9
203.04004	11.3
207.01884	3.7
215.00432	6.4
215.03978	38.1
221.05049	10.3
226.52486	6.0
227.03975	11.2
229.05466	3.7
233.03079	5.7
233.05096	44.8
239.06102	10.2
245.05122	22.5
257.05307	4.4
263.06152	12.0
271.30334	4.7
275.02911	4.9
275.06094	24.2
278.27502	4.0
293.07153	3.8
326.11960	14.2
327.11798	4.2
335.07538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64812	1.3
56.96564	69.5
58.32229	1.5
62.36874	1.5
69.03444	1.3
69.63127	7.8
70.98120	70.7
71.95248	3.0
84.96030	2.0
85.02914	2.8
88.99157	18.5
98.97584	35.9
101.00871	4.1
107.00223	2.0
108.08159	2.0
110.97567	4.8
112.64510	1.3
113.00880	2.5
115.00723	3.3
115.02454	1.9
116.98611	10.6
119.01923	6.1
119.04948	1.9
124.95492	1.6
128.98602	28.7
130.97739	1.4
131.00240	2.4
131.01898	4.5
133.01717	2.1
134.99693	1.9
143.01900	7.1
145.01709	3.2
145.03482	4.0
146.99651	31.7
147.04422	1.7
154.96510	40.7
155.00272	1.6
155.01892	3.8
158.99640	2.2
161.02975	5.2
163.02693	1.6
165.00710	12.5
169.03464	1.8
172.97588	97.1
173.01250	4.1
173.02914	2.4
173.06648	6.4
182.96059	1.9
185.02997	1.9
185.06596	10.3
186.99150	5.4
189.00729	2.1
190.98639	81.1
191.02185	8.9
191.07564	1.6
195.01743	1.6
195.99228	1.7
200.97069	12.0
201.00563	1.6
203.02299	3.1
203.04092	3.5
203.07651	2.6
205.00211	24.0
208.99706	6.5
213.00607	2.7
214.98610	20.5
215.04102	1.9
218.98126	28.9
219.01770	4.3
221.05064	5.5
223.01268	14.0
226.90378	1.4
231.01802	2.2
232.99702	100.0
235.06458	1.8
236.99171	7.3
237.02858	3.9
245.05093	1.9
247.01213	10.0
251.00751	35.7
256.01398	2.5
260.99307	3.7
265.02325	3.9
269.01855	2.0
275.00723	51.9
275.06116	5.3
275.09747	10.9
279.00168	1.6
293.01807	43.1
293.10767	13.9
311.02820	2.4
335.02887	1.7
335.11163	10.3
335.19687	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	334.2379
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
55.05513	0.2
56.30451	0.1
56.96558	0.4
60.36359	0.1
62.89442	0.1
67.05488	0.3
67.49181	0.1
69.03416	0.2
69.07052	0.3
69.90868	0.7
79.05481	0.3
81.03471	0.2
81.07040	0.4
83.05010	0.2
88.51791	0.2
91.05517	0.3
92.79875	0.2
93.07054	0.2
95.04933	0.2
95.08593	0.3
97.06527	0.5
98.97564	0.2
98.98508	0.2
105.07027	0.3
106.06578	1.6
107.07366	0.2
107.08595	0.3
117.05762	0.4
118.06543	3.1
120.08187	0.4
129.06998	0.3
130.06535	0.5
131.07306	1.3
132.08081	1.7
133.08920	0.4
134.09641	0.4
144.08109	0.3
146.09642	2.8
147.04439	0.3
151.09956	0.2
160.11226	2.4
162.09145	6.0
163.09932	0.2
167.07089	0.2
172.11179	0.6
174.12808	0.5
176.10710	4.0
177.11461	0.6
186.12845	0.2
190.12279	10.9
201.07706	0.3
202.15984	0.2
204.13835	1.7
206.15501	0.3
207.26205	0.2
215.06392	0.3
218.15457	0.4
232.16901	0.3
244.20627	2.3
246.18590	0.2
272.20090	9.8
290.21118	1.0
316.22806	0.5
324.04666	0.2
334.23770	100.0
335.24179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84152	1.2
55.05498	7.2
67.05511	6.2
69.07061	3.5
70.06577	2.8
71.57759	1.3
72.08156	13.3
74.71043	1.1
79.05486	2.5
79.96897	1.3
81.07059	6.5
82.06573	4.0
83.08622	2.7
84.02106	1.2
93.07047	5.0
94.06551	6.5
94.83302	1.0
95.08610	5.7
96.08118	1.8
97.06514	1.6
98.06081	8.5
100.63588	1.2
105.07024	2.6
107.08607	2.8
108.08120	4.8
109.10115	2.5
119.08559	1.7
120.08121	3.0
121.10156	2.7
122.09692	5.9
123.11719	1.3
124.11253	1.4
131.08563	1.2
134.09610	2.3
135.11665	1.3
136.11209	17.3
148.11189	1.5
149.13252	1.6
162.12782	1.9
302.21661	1.6
302.24817	6.4
306.24164	1.2
334.27444	100.0
334.31104	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	334.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76088	1.2
55.05515	2.0
56.05030	3.5
56.96575	9.9
57.03442	6.2
60.04531	29.3
65.03929	2.2
65.18735	1.2
67.05520	2.9
68.05021	2.9
69.03419	3.0
69.07063	1.6
70.06582	5.9
70.70552	1.4
70.70851	2.0
71.05000	2.2
72.04501	1.4
72.08173	2.7
73.02947	1.6
74.06079	2.3
79.05510	5.8
80.05021	3.4
81.03415	1.5
81.07048	5.5
82.06611	1.8
83.04982	2.0
83.06115	1.3
83.08641	2.2
84.04505	5.1
84.08136	3.9
84.96055	2.1
85.02904	4.3
85.03423	1.3
85.06559	1.7
86.06066	1.5
86.09704	6.0
90.05558	2.7
91.04903	1.7
91.05479	25.0
93.05797	1.4
93.07021	4.5
94.06550	4.5
95.04958	2.1
95.08591	3.4
96.04488	2.3
96.08134	1.8
97.06532	4.2
98.06058	3.2
98.97597	4.2
98.98441	2.2
99.08074	1.5
100.07671	1.5
102.05547	2.0
105.07024	2.6
107.08612	3.4
109.06551	2.1
110.06032	2.6
110.07207	1.6
112.07602	1.5
114.05527	1.3
116.07162	1.3
116.98660	3.4
118.06538	1.5
119.04111	1.6
119.04953	28.9
119.08620	2.8
120.08103	5.2
121.10202	1.5
122.06023	3.1
124.07566	2.7
124.11253	1.4
124.99106	1.8
126.09133	2.6
127.07576	1.6
131.00185	1.3
131.08559	3.6
132.06581	15.7
132.08089	1.5
136.07622	2.1
137.05981	1.9
138.09103	1.6
140.03403	1.3
140.06990	1.9
143.00142	6.5
144.29208	1.3
147.04414	100.0
147.11600	2.4
148.04770	5.2
148.11215	1.6
154.08632	2.7
155.06955	1.5
159.99768	5.2
161.01247	2.9
172.07617	1.3
172.09709	4.5
172.11366	1.3
185.01259	1.7
187.14444	2.2
211.75340	1.3
217.13718	2.4
232.17035	5.0
234.18471	1.7
238.18042	2.7
244.17033	2.8
249.02878	5.0
253.03551	1.5
262.18036	6.7
267.03848	4.0
269.03329	2.0
280.19205	6.6
287.04700	1.8
298.20108	14.4
299.22845	1.4
316.21194	68.5
320.22952	1.3
329.05261	1.4
334.05701	1.7
334.09064	11.4
334.22244	55.7
335.12469	1.7
345.01266	4.1
347.02814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05511	3.6
56.05038	3.5
56.96569	1.0
57.03429	2.1
57.07059	1.3
60.04252	0.7
60.04529	8.0
61.02934	0.8
67.05508	8.5
69.03425	3.5
69.07065	3.6
70.06596	9.1
71.04994	2.0
71.57060	0.6
72.04507	1.1
72.08149	2.0
73.02923	2.3
75.12377	0.5
79.05494	4.0
79.10173	0.5
80.05016	2.5
81.03419	0.8
81.07054	11.7
81.46142	0.5
82.06555	1.1
83.04978	0.8
83.08615	1.5
84.04507	1.5
84.08137	2.2
85.02895	1.3
85.06528	2.1
86.06072	16.5
86.09707	4.2
87.04471	16.2
87.53329	0.5
87.81361	0.5
91.05477	7.6
93.07021	2.5
94.06568	6.3
95.04961	0.7
95.08604	4.0
96.08146	1.9
97.06512	1.3
98.06058	32.9
98.97599	1.6
98.98483	0.5
102.05531	0.9
103.05454	0.5
104.07094	0.7
105.07037	4.2
106.07430	0.8
107.08607	2.6
109.06509	0.6
109.10181	2.4
110.09715	0.7
112.04540	0.6
112.07594	1.6
113.22913	0.5
116.07090	1.1
119.04980	0.9
119.08609	0.9
120.08098	1.9
121.10171	1.2
123.11704	2.7
124.07597	10.1
124.11244	0.6
127.03860	0.5
130.06485	1.2
131.08539	0.8
131.12032	0.9
132.06610	0.6
133.10139	6.5
140.10728	1.4
143.00172	0.6
146.12425	0.7
147.04381	3.1
149.09561	0.5
150.05467	1.0
151.11182	13.6
155.13104	0.7
155.63182	0.6
157.07637	0.6
158.06047	1.5
158.11775	8.7
160.09691	1.1
162.04390	1.4
168.13840	6.3
171.04919	1.3
171.56830	0.6
173.03046	0.6
175.08641	1.6
177.05492	1.3
179.04021	0.5
186.14874	2.7
194.15421	0.5
195.12093	1.0
203.08272	0.7
208.17014	0.8
212.20139	0.8
221.09105	3.1
223.21576	0.7
224.20091	1.0
228.06485	3.5
228.16002	0.5
231.09059	0.5
236.16444	19.1
238.21661	0.6
242.21191	0.5
244.10283	0.5
250.21701	1.5
252.59431	2.5
253.10081	0.5
253.22726	0.7
260.22366	0.6
262.21628	1.4
272.18573	100.0
273.18976	1.5
280.22705	2.5
298.20694	0.7
298.23660	3.4
316.21268	33.2
316.24832	7.0
327.26376	3.0
328.26913	0.8
333.62152	1.7
334.22183	22.6
334.25903	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2011
Annotation	alpha-Eucaine
Peak:m/z	Relative Intensity
55.05506	2.4
56.05042	2.3
56.96570	1.0
60.04512	1.4
65.03897	0.6
67.05499	2.0
67.52454	0.5
69.07051	1.3
70.06586	1.3
71.57183	0.8
73.91830	0.4
79.05471	0.6
80.05025	0.9
81.07046	1.9
83.08629	0.7
84.04492	1.6
84.08150	0.9
85.02895	0.7
86.04510	0.4
86.09756	0.7
87.04472	30.8
88.03984	1.8
91.05479	2.5
92.05004	5.4
93.05798	1.2
93.07037	1.0
94.06568	1.5
95.04967	0.5
95.08611	0.8
96.04488	0.8
97.06519	0.7
97.10157	1.3
98.97568	1.2
99.00856	0.9
105.07059	0.7
106.06548	1.5
107.08557	0.8
109.06512	0.7
109.10163	0.8
116.03429	0.6
117.05759	1.9
118.06548	19.1
119.04950	0.8
119.07320	1.8
119.08591	0.8
120.05250	0.7
120.08102	2.0
126.04230	0.5
130.05031	1.1
130.06508	1.3
131.07321	0.7
131.08656	0.5
132.08081	1.5
133.10143	1.5
134.09564	0.7
137.05971	0.7
146.09665	0.8
147.04443	3.7
148.04752	3.3
150.20024	0.5
153.07034	0.6
160.11250	0.7
161.09604	0.5
179.10674	0.6
189.09114	0.6
202.15897	5.2
225.11317	0.9
230.15408	52.1
242.17540	0.6
248.16473	9.0
265.73877	0.5
272.56281	0.5
283.07703	0.6
290.16235	2.4
298.23535	0.5
299.14975	2.7
309.15286	0.5
312.11456	0.7
316.24774	0.9
327.26443	0.9
334.20126	100.0
335.20459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.8
56.05023	2.2
56.96566	3.7
57.03438	1.8
61.02916	3.8
69.03439	5.5
69.67909	7.2
70.06583	3.4
71.04979	1.4
72.08140	2.2
73.02911	1.6
74.06113	2.4
81.03411	4.2
81.07054	2.8
84.04507	3.7
84.08135	2.4
85.02909	30.5
86.09711	5.9
91.05488	12.2
97.02898	8.0
98.05978	1.1
98.97580	4.2
98.98525	1.1
99.04477	2.0
109.02873	2.3
109.06511	1.3
110.07151	1.6
112.07582	1.1
116.07135	2.8
116.98671	2.4
119.02033	1.2
119.04949	8.9
120.08115	2.1
123.05566	1.3
125.05987	1.1
127.03928	4.7
129.10237	2.3
130.06516	2.7
130.08626	3.6
132.08087	3.9
137.05984	100.0
143.08202	1.6
144.08124	3.1
145.04990	8.6
147.04424	11.4
151.07614	1.5
154.08650	1.5
155.07059	10.9
159.07893	1.1
159.09143	6.4
170.06030	2.5
172.09792	1.4
175.10785	2.1
177.00743	2.1
179.07028	1.7
180.08679	7.9
203.10245	2.5
263.09277	1.9
265.08273	1.2
276.02985	1.3
317.11520	5.4
334.14444	1.6
334.22021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01877	5.4
55.05515	22.0
56.78395	1.2
56.96570	12.8
57.03439	25.7
57.07064	2.5
65.03943	5.4
67.05507	99.4
69.07069	16.7
69.48596	7.9
70.83775	1.1
71.04967	2.7
71.95251	2.8
73.02895	3.7
79.05495	54.5
81.07059	66.7
82.07355	1.3
83.04947	2.6
83.08642	6.7
84.96015	1.9
85.06516	1.2
91.04912	1.2
91.05482	33.4
93.07047	53.8
95.04964	4.9
95.08611	51.1
97.06520	2.5
97.10139	3.1
97.96774	1.3
98.98467	9.2
103.03931	1.3
105.07034	23.4
107.08598	25.9
109.06481	2.4
109.09473	1.3
109.10165	18.0
110.97576	7.1
117.07002	4.3
119.08595	14.6
121.06502	2.3
121.10148	20.0
123.11689	6.5
124.99067	1.1
125.09648	1.6
127.89985	1.0
128.98610	6.8
129.05495	25.8
129.06935	1.5
131.08591	5.6
132.41246	1.1
133.10144	15.6
135.08070	2.3
135.11703	10.9
137.09605	1.9
137.13229	1.4
143.00136	2.1
143.08504	2.4
145.10118	4.4
146.99619	3.2
147.11685	12.1
149.09517	1.3
149.13222	5.2
151.11200	2.7
157.10110	1.3
159.11658	3.7
161.13234	5.2
171.03171	1.4
171.11610	2.3
173.13254	2.9
175.14822	3.0
176.98906	1.3
185.13261	2.3
195.76846	1.3
199.14929	1.3
217.19496	2.6
241.19449	3.2
258.07739	1.4
259.20584	2.0
263.09271	1.0
276.08905	1.5
277.21545	2.0
278.21994	1.9
315.16290	25.4
331.15710	1.6
333.17322	39.3
333.20712	9.7
333.24149	100.0
333.52060	1.3
334.17484	1.2
334.24500	2.0
351.18359	13.0
352.18497	1.8
354.52200	1.1
356.19052	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24965	0.5
69.25356	0.6
69.78911	3.0
82.30133	0.5
95.32819	0.5
97.41531	0.5
97.42188	0.7
98.21444	1.1
108.51773	0.5
235.12965	0.8
251.12538	0.7
252.01256	0.6
285.25940	0.5
333.20386	100.0
334.20743	1.0
337.11719	0.6
350.06668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12737	0.5
52.19096	0.5
60.15559	0.5
70.64323	0.5
71.26273	0.9
82.84560	0.4
98.98452	0.8
102.44960	0.5
105.07057	0.7
198.11261	0.5
235.13100	1.2
293.89902	0.6
311.39752	0.6
333.20380	100.0
334.20761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	PGB3
Peak:m/z	Relative Intensity
50.94752	0.6
57.80876	0.6
69.34547	2.4
69.34970	2.7
73.48314	0.6
76.27142	0.5
91.05487	0.8
182.11430	0.7
239.11287	1.3
247.13150	2.7
257.12573	1.1
284.27472	0.8
302.19693	0.8
315.19333	5.8
333.20380	100.0
334.20749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.5
69.89423	0.5
69.91856	1.2
69.92271	1.7
91.05465	0.7
93.07056	0.5
98.98466	0.6
105.07040	0.7
118.89622	0.6
165.28918	0.5
203.32106	0.5
227.11279	1.2
245.12422	1.0
315.18280	1.1
333.20380	100.0
334.20752	1.8
351.20038	0.6
352.58276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.9
70.00285	1.4
70.00684	1.3
70.25191	0.6
79.05493	1.5
80.92617	0.6
81.07047	1.1
91.05487	1.2
93.07042	2.0
105.07037	1.9
119.08581	1.5
136.18529	0.6
159.94885	0.6
160.36632	0.7
208.71124	0.7
333.20370	100.0
333.23798	3.7
337.91153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98498	0.4
67.05505	0.6
70.95638	0.7
70.96007	0.4
76.43216	0.3
94.19943	0.4
98.98468	1.2
141.07404	0.4
157.19785	0.4
165.48412	0.4
195.09862	0.5
201.09862	0.4
333.20383	100.0
334.20755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05547	0.5
56.63765	0.4
56.96304	1.9
56.96568	35.1
59.08138	0.4
61.68018	0.4
63.12128	0.3
67.05555	1.5
69.07084	0.4
69.89910	2.2
71.95267	7.2
72.96099	1.4
74.97683	1.2
79.05537	0.9
80.99352	0.5
81.07105	1.2
83.08675	0.5
84.96034	3.5
91.05525	1.0
93.07124	1.4
95.04987	0.6
95.08649	1.0
97.96795	4.2
97.99258	0.6
98.20830	0.7
98.97645	1.6
98.98468	3.9
102.97113	0.5
105.00252	1.6
105.07105	0.8
110.97572	17.1
112.99149	0.5
115.97916	1.6
116.98672	1.1
119.01743	0.9
119.08627	1.0
123.01271	1.8
124.99156	0.8
128.98611	19.9
129.02325	0.5
129.07088	0.5
131.00194	0.8
131.08617	0.6
132.99657	0.8
133.10194	1.0
137.02811	1.7
138.99467	0.4
140.98441	0.6
141.02322	0.6
143.00163	3.4
146.99657	8.7
147.03394	0.5
149.09706	0.4
151.00746	0.5
151.04333	0.7
152.00214	2.0
155.03891	0.7
157.01756	0.9
160.04424	0.5
161.01263	2.2
161.04935	0.9
165.00815	0.8
165.02222	0.8
165.05862	0.5
167.03815	1.0
169.01770	0.7
169.05563	0.6
170.01279	1.0
171.03296	2.6
175.02835	1.4
176.98933	0.5
179.02278	0.5
183.03307	0.9
183.06929	0.4
185.04926	1.7
189.00539	0.5
189.04337	2.3
191.03786	0.6
193.03909	0.7
197.04982	0.6
199.06526	1.3
203.04192	0.5
203.05988	1.4
209.04839	0.5
213.07961	0.6
217.07477	0.7
221.04797	0.7
225.08064	0.9
227.09596	1.1
235.06474	0.6
237.07919	0.5
239.09499	0.5
240.10277	0.6
241.11166	1.2
243.08994	0.8
245.08482	0.8
245.10783	1.3
252.10339	1.2
255.12762	0.8
259.12177	1.4
263.09613	4.9
264.10397	1.0
265.11172	1.3
271.10089	0.4
275.09399	0.5
277.11185	1.6
278.11658	0.5
279.55615	0.4
281.10495	0.6
282.11414	0.5
283.12180	0.8
284.09384	0.6
285.11801	0.6
286.11401	0.7
289.10825	0.6
291.12759	0.6
303.12732	2.6
313.14746	1.3
315.16302	85.0
316.16537	1.3
317.14310	0.8
321.13931	0.7
331.15854	4.0
333.17319	100.0
334.17712	1.2
342.01358	0.4
351.14267	0.9
351.18460	15.7
356.18970	24.8
357.19196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02067	0.3
56.96564	0.5
69.69964	1.5
69.70360	0.4
69.77063	0.3
69.94219	0.3
70.06588	0.7
72.08146	0.6
73.52053	0.3
84.08115	0.7
86.09694	1.0
98.97578	0.7
98.98443	1.6
113.73002	0.3
114.32223	0.4
120.08088	0.5
136.07530	0.3
147.04419	0.3
159.09152	0.4
171.09940	1.8
173.09518	0.3
188.07204	0.4
197.07306	0.3
313.72961	0.3
324.40076	0.3
333.15207	100.0
334.15604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58943	0.5
51.29142	0.7
53.03941	1.2
55.01865	0.8
55.05517	6.4
56.05028	2.4
56.96560	4.5
57.03432	2.4
57.07069	1.9
58.06590	1.1
59.66020	0.5
60.04529	11.9
61.02915	1.0
65.03932	0.6
67.05507	7.6
68.05020	2.2
68.05813	0.6
69.03425	2.1
69.07072	7.4
69.48999	4.4
70.06590	1.8
71.05002	0.9
71.08643	1.1
72.04498	1.9
73.02892	1.3
74.06086	1.2
79.05490	4.9
80.05022	10.9
80.05785	0.6
81.03413	1.7
81.07059	8.2
81.89449	0.7
82.06579	2.6
82.24327	0.5
83.04970	1.9
84.04497	0.7
84.08148	0.8
84.96000	0.6
85.02897	1.7
86.06055	2.5
87.04444	0.9
87.44636	0.6
90.05545	1.1
91.05493	3.0
93.07035	5.1
94.06573	4.8
95.04949	1.2
95.08614	7.5
96.04514	0.8
96.08109	1.0
97.02908	1.5
97.06572	2.9
97.10149	1.7
98.06054	2.3
98.97607	3.8
98.98478	7.3
105.07027	2.0
106.06517	0.6
107.08588	3.1
108.08129	0.6
109.10161	2.8
110.06025	1.6
112.07629	0.8
112.99139	0.9
114.05521	0.6
116.07070	0.7
119.08585	1.6
121.10145	1.6
123.11694	1.0
124.07601	1.2
124.99129	1.0
126.09131	0.6
129.06967	0.6
131.00171	3.3
132.06564	3.5
133.10101	0.9
134.09639	0.7
135.11713	1.3
142.08699	0.7
143.00174	1.3
145.10172	0.7
147.04424	1.7
147.11600	0.9
148.21347	0.6
149.01233	3.9
149.09525	0.6
149.13283	0.7
150.85431	0.6
158.99739	1.3
167.02306	1.1
167.06944	0.9
170.99756	0.7
172.23024	0.5
178.07489	1.2
189.00732	1.0
203.02405	0.9
210.22188	1.8
213.56937	0.6
219.01614	0.5
222.22179	3.2
240.20923	1.0
240.23239	15.7
240.25708	0.8
248.23746	2.4
250.09622	5.7
250.25456	0.8
250.59807	15.1
251.10008	3.3
258.24292	1.6
260.23758	1.6
263.06470	0.6
268.26178	0.7
272.13907	0.6
278.24780	10.5
281.10651	0.7
282.10977	0.9
293.05707	0.7
296.25839	10.3
304.20276	0.5
314.19574	1.6
314.26913	31.4
331.62430	12.3
331.66171	0.9
332.11743	1.0
332.14584	5.4
332.22406	2.7
332.27963	100.0
333.13385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03165	0.5
53.80853	0.5
55.01871	1.0
55.05511	6.9
56.05026	2.1
56.96567	3.2
57.03422	2.0
57.07058	2.1
60.04531	11.1
61.02917	1.0
67.05166	0.8
67.05505	8.0
68.05019	2.4
69.03428	1.9
69.07078	6.9
70.06580	1.9
71.04980	1.1
71.08621	1.0
71.95258	0.5
72.04509	1.5
73.02898	0.8
74.06075	1.2
75.24338	0.5
79.05489	6.6
80.05022	10.3
81.03401	1.4
81.07052	9.0
81.96267	0.5
82.06595	3.0
83.04975	1.9
84.04482	0.7
84.08132	0.9
85.02907	2.1
85.10179	0.6
86.06059	1.9
87.04440	1.1
90.05547	0.7
91.05479	3.0
93.07050	5.7
94.06568	4.8
95.00053	0.5
95.04956	1.4
95.08618	7.2
96.08114	1.5
97.02882	1.7
97.06527	1.8
97.10158	1.8
98.06059	2.7
98.97578	3.5
98.98463	7.1
100.07619	0.5
103.05441	0.5
105.07054	1.1
107.04969	0.6
107.08576	2.2
108.08076	1.3
109.10151	2.5
110.06017	1.9
110.06693	0.5
110.09676	0.5
111.04408	0.7
112.99145	1.2
116.07087	1.1
116.98594	1.5
119.08571	1.3
120.08100	0.8
121.06486	0.6
121.10192	2.4
123.08057	0.5
123.11700	0.8
124.07612	1.3
124.11201	0.6
124.99116	0.6
127.03889	0.6
131.00208	3.0
131.08588	0.9
132.06558	3.1
133.10063	0.9
135.11665	1.0
140.98622	0.5
143.00140	0.7
147.04375	1.6
147.11665	0.6
149.01241	3.6
158.99689	1.4
161.01253	0.8
167.02283	1.0
170.99664	0.7
173.11716	0.6
178.07445	1.2
178.57680	0.7
189.00795	0.8
189.16336	0.6
191.02281	0.6
203.02278	0.6
210.22198	2.0
212.23795	0.6
219.01807	0.7
221.93153	0.5
222.22209	3.1
224.23763	0.5
236.23833	0.8
237.03098	0.5
240.23227	15.4
248.23764	2.6
250.09654	4.8
250.25487	0.7
250.59822	13.5
251.09926	3.5
252.23344	0.8
258.24353	1.1
260.23795	1.5
266.24863	0.5
266.64517	0.5
271.11145	1.1
278.24744	9.8
281.10480	0.7
282.10889	0.8
296.25827	9.5
302.09134	0.5
314.12003	0.5
314.26883	30.7
323.11584	0.6
331.62439	10.8
332.11884	2.0
332.14664	8.4
332.27951	100.0
332.62369	0.6
333.13260	0.7
333.28342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2431
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
53.03945	1.4
55.05514	16.7
56.05025	2.0
56.05840	1.8
56.96555	1.7
57.03442	1.2
57.07067	1.3
60.04529	26.0
66.42342	0.7
67.05515	4.7
68.05037	4.6
69.03413	2.7
69.07065	3.4
70.06590	3.1
70.84497	1.5
70.84858	1.6
71.05002	10.9
72.04501	2.4
72.08144	1.2
73.02917	2.0
79.05509	3.9
80.05012	5.1
81.03411	2.7
81.07057	5.4
82.06580	9.5
83.04974	8.7
83.08620	8.9
84.04508	3.4
84.05304	3.3
84.08127	1.5
84.08945	1.1
85.02909	2.3
86.06063	2.9
86.09711	1.5
87.04465	2.0
90.05556	3.3
91.05498	1.6
93.05811	0.8
93.07053	3.4
94.06579	5.0
95.04963	1.1
95.08604	3.7
96.04500	1.2
96.08134	1.7
96.08987	0.9
97.02863	1.3
98.06065	3.6
98.09687	1.5
98.97588	1.7
98.98480	6.9
99.08112	1.8
100.07635	2.6
100.11263	33.5
101.11588	6.5
105.07017	1.8
106.06579	2.1
107.08617	1.8
108.08160	1.2
109.06550	0.9
109.10159	2.3
110.06050	6.8
111.04444	3.3
112.07607	2.8
114.05525	2.4
114.14205	0.9
117.13895	1.3
119.08585	2.1
120.08082	2.0
121.10126	1.5
122.06065	0.8
124.07595	1.6
126.09106	1.3
127.08671	1.0
128.07091	3.1
131.08565	1.5
132.06575	20.9
133.10124	2.2
139.08676	1.8
140.07114	1.1
140.09000	1.1
141.11487	1.4
145.10103	0.9
147.04410	1.5
147.11708	1.1
148.11177	0.7
149.13237	0.9
152.07066	2.2
158.11746	4.3
161.41054	0.7
162.05428	1.0
164.14386	0.8
166.05066	1.6
180.06743	0.7
182.15419	9.4
183.15787	4.3
193.11859	1.0
200.18272	0.8
205.16583	0.8
208.06030	1.3
209.16490	7.8
210.05795	1.1
210.14926	9.3
210.16818	4.1
211.15228	4.9
212.15430	0.7
212.20085	3.8
218.67239	1.7
226.19174	4.6
226.21393	1.2
227.17473	1.1
227.19493	3.2
236.20113	5.9
238.21678	2.4
248.20129	12.0
250.21716	4.8
251.08572	2.5
254.21188	10.1
260.20111	7.0
266.21170	5.6
268.22552	1.4
268.72324	0.9
278.21170	16.8
282.20425	3.3
289.14319	1.3
295.75989	0.7
296.18835	1.0
296.22165	10.8
314.19644	5.8
314.23193	33.3
315.12988	0.7
317.09238	1.0
322.75305	1.0
326.27933	3.4
327.28348	2.6
331.75653	1.8
332.11661	2.2
332.24353	100.0
333.10327	0.9
333.24774	1.2
337.23160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	1.6
55.05515	7.0
56.05030	3.3
56.96539	2.4
57.03441	2.8
57.07070	3.1
60.04227	1.4
60.04527	23.6
61.02929	2.1
61.69444	1.1
63.53522	1.3
67.05509	7.4
68.05029	3.6
69.00951	1.0
69.03438	6.5
69.07056	3.1
70.06598	18.3
70.69174	1.5
70.69507	1.9
71.05003	10.9
72.04521	2.8
72.08160	12.9
73.02905	1.9
74.06079	1.8
79.05498	7.1
80.05026	10.3
81.03426	7.6
81.07066	11.2
82.06576	5.0
83.08605	4.0
84.04497	1.7
84.08143	2.1
85.02896	3.8
85.06539	3.5
86.06068	4.7
86.09703	9.4
87.04454	3.8
87.05589	2.0
89.97968	1.1
90.05546	2.2
91.03940	2.6
91.05470	7.9
93.07047	9.8
94.06564	11.5
95.04948	3.5
95.08585	7.1
96.08120	3.0
97.02898	4.0
97.06548	3.3
98.06059	7.4
98.97588	2.8
98.98479	7.0
100.07632	6.1
102.05540	1.7
104.07096	1.4
104.10762	1.6
105.07038	9.3
106.06557	1.3
107.08605	8.3
108.08127	2.7
109.06487	1.3
109.10156	2.3
110.09680	2.0
111.08086	1.7
112.07667	1.2
114.05537	2.7
114.09184	1.5
115.05478	1.1
116.07072	1.6
117.07031	4.6
119.08606	8.1
119.09317	1.5
120.08121	3.2
121.06488	1.9
121.10148	5.0
122.09637	1.6
124.07584	1.6
124.11235	1.2
124.74705	1.2
126.09148	1.4
128.07086	7.1
129.07028	2.3
131.00206	1.5
131.08568	12.2
132.95865	1.6
133.10150	10.6
134.09654	3.0
135.08032	3.8
135.11736	3.4
140.10701	4.6
142.08690	6.2
143.01862	2.2
143.08537	2.9
145.10141	5.9
146.11798	7.7
147.04399	1.7
147.11632	2.8
148.11272	2.4
154.07512	1.2
154.08601	5.4
157.10162	4.4
158.11823	14.3
159.11317	14.3
160.11217	1.5
161.03035	1.4
161.06035	1.4
161.09627	1.7
164.04797	1.3
167.67760	1.1
168.10210	21.0
169.10146	1.1
171.11719	2.5
173.13229	11.9
175.14847	1.8
178.08638	4.3
180.10130	1.1
186.12837	1.3
187.10750	2.5
193.12286	4.7
194.11823	4.4
199.14871	4.8
202.14433	2.7
206.41273	1.1
207.08672	3.0
208.17108	1.0
210.14966	1.9
211.13327	2.6
217.15907	4.6
225.14902	1.8
228.70016	1.1
232.13338	2.0
234.99062	1.5
235.10045	1.7
240.19537	2.6
243.12299	1.1
248.16333	2.6
248.20169	1.3
250.21693	1.5
251.08757	1.9
251.11229	1.8
252.09320	2.7
258.20651	1.8
260.20129	2.7
268.22980	1.2
276.16269	1.6
278.21161	12.6
288.18195	1.3
296.22345	5.4
302.17542	8.9
314.19754	4.5
314.23242	19.5
316.12524	4.3
316.62891	1.6
317.19940	3.8
324.11743	1.7
332.21762	47.8
332.24353	100.0
333.07452	1.8
333.11710	2.2
333.25061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
54.36880	0.7
55.05511	3.5
56.05024	1.5
57.03438	1.9
57.07068	3.3
60.04253	1.0
60.04534	9.2
67.05505	4.9
68.05025	2.9
69.03426	2.4
69.07063	3.0
69.47689	1.2
69.48097	3.8
70.06599	17.7
71.04996	5.9
72.08153	2.3
79.05497	4.4
80.05025	8.0
81.03407	2.9
81.07068	6.8
82.06582	2.4
83.08611	1.0
84.04494	1.2
84.08157	1.1
85.02913	1.2
85.06548	2.0
86.06075	1.8
86.09711	1.4
87.04478	2.2
91.05486	6.0
93.07053	8.9
94.06577	6.2
95.04977	1.6
95.08610	4.3
96.08133	2.8
97.02922	1.7
97.06522	1.8
98.06056	5.2
98.97577	1.4
98.98454	2.1
100.07635	7.1
102.05563	1.0
105.06389	1.1
105.07045	9.9
107.08613	7.7
108.08127	2.6
109.10165	1.9
110.09673	1.3
114.05518	3.6
114.09151	1.5
115.05504	1.2
116.07099	2.4
117.07037	6.3
119.08590	6.5
120.08128	1.9
121.10163	2.5
122.09680	2.4
124.11235	1.0
126.09106	1.0
128.07085	7.5
129.07034	1.7
131.08569	15.2
133.10138	9.3
134.09659	0.8
135.08069	5.2
135.11700	2.0
137.09683	0.8
140.10689	2.7
142.07739	1.1
142.08641	5.5
143.08568	3.7
144.95741	0.8
145.10132	5.6
146.11702	1.1
147.04420	1.0
147.11687	2.9
148.11209	2.6
149.01181	1.0
151.06328	1.8
154.08635	5.3
156.09372	1.1
157.10121	4.7
158.11865	6.5
159.11702	4.6
160.11206	1.2
161.05957	1.0
161.13319	1.0
162.12856	0.8
168.10216	22.1
171.11725	3.0
173.13268	12.0
175.11140	1.3
175.14914	1.0
178.08626	8.5
180.10249	1.1
182.11975	1.0
184.12495	1.2
188.14378	1.2
191.14301	1.3
192.10193	0.9
193.12323	2.7
194.11768	8.1
199.14801	5.7
201.16277	1.2
202.14348	1.9
206.22832	0.9
211.13454	1.0
212.14290	0.8
217.15929	3.0
221.54829	0.9
232.13399	1.7
233.14185	2.3
234.14853	1.4
240.19566	1.6
248.16441	1.9
249.30952	0.8
250.21529	0.9
251.08565	1.0
258.14957	2.0
258.20721	1.8
260.20120	1.0
273.17303	1.6
276.16055	1.4
278.21198	6.5
284.16693	1.5
286.21661	1.0
296.22217	1.4
302.17459	9.2
314.20444	2.3
314.23587	11.4
316.12579	2.2
317.19815	3.3
324.11609	1.7
332.22113	100.0
332.24683	46.9
333.22821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00767	0.2
55.05327	0.5
55.05619	0.9
56.05112	0.5
56.96640	0.3
57.03513	0.3
60.04628	0.9
60.62024	0.3
61.62759	0.3
67.05626	1.2
68.05133	0.6
69.03195	0.4
69.03542	0.9
69.07169	0.7
70.06299	0.4
70.06707	2.7
71.05063	0.4
71.57194	0.4
73.02998	0.4
74.02525	0.4
79.05607	2.4
80.05139	0.9
80.99595	0.3
81.03506	0.4
81.07177	2.6
82.06240	0.2
82.06673	0.6
83.08713	0.4
84.04577	0.4
85.02972	0.5
86.06184	1.1
86.09825	1.2
87.04597	1.1
91.05607	1.7
93.07161	2.1
94.06692	2.0
95.04983	3.0
95.08740	1.1
96.08218	0.6
97.06600	0.4
98.06064	2.3
98.97690	0.5
98.97894	0.6
98.98589	2.2
100.07741	1.3
101.29185	0.3
102.05629	0.3
103.05542	0.4
104.06609	0.2
104.07230	0.9
105.07034	3.7
106.06547	2.1
107.07450	0.8
107.08595	2.6
108.08245	1.2
109.06574	0.3
109.10238	0.4
113.78302	0.3
114.05639	1.1
116.07178	0.6
116.10820	0.3
117.07114	0.4
119.04971	0.3
119.07332	0.4
119.08600	2.4
120.08105	1.6
121.06603	0.4
121.08930	0.3
121.10263	1.2
122.02810	0.7
122.09672	1.9
128.07100	2.6
129.07091	0.4
129.10257	0.3
131.00240	0.4
131.08586	3.3
132.08241	0.4
133.08969	1.6
133.10123	2.0
134.09636	1.3
135.08145	0.3
135.11752	0.4
137.09653	0.4
142.08733	0.9
143.08662	0.8
145.10222	0.3
146.09755	0.9
147.04445	0.4
147.10651	0.4
147.11784	1.1
148.11215	15.7
149.09688	1.0
149.12033	2.5
150.12811	0.4
151.06432	0.3
151.11197	0.3
152.07156	1.1
157.10150	0.4
158.11827	0.8
159.11752	0.4
161.09651	0.6
164.07124	0.8
165.12932	0.3
166.12280	1.4
168.10210	1.3
173.13048	1.7
175.11192	0.6
176.10799	0.4
177.07780	0.3
178.08673	1.9
179.09468	0.8
191.14238	0.4
192.10223	4.5
193.12201	1.5
194.11778	100.0
195.12184	0.5
201.12413	0.4
202.14389	0.4
208.17085	0.3
210.11295	0.7
210.14851	0.6
211.13277	0.7
219.01912	0.3
242.17403	0.8
251.08421	0.6
252.09233	0.7
252.15741	0.4
258.14722	0.4
270.16925	0.5
275.98758	0.3
278.21011	0.6
288.18094	1.3
296.22012	0.4
314.19464	3.3
314.23203	0.5
314.26447	0.6
332.21716	16.9
333.07089	0.8
333.11447	0.6
336.35327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43783	0.8
55.05521	1.8
56.05036	0.9
57.03434	0.9
60.04531	20.6
60.08158	2.4
67.05501	2.8
69.03422	1.6
70.02939	1.2
70.06586	2.6
71.04977	1.6
71.28221	1.4
72.04504	1.7
79.05482	2.4
80.05036	1.1
81.03412	2.6
81.07067	4.3
84.04486	1.6
84.08099	0.8
85.02914	2.0
86.06071	6.9
86.09711	82.2
87.04476	6.9
87.05598	15.0
91.05467	2.8
93.07051	3.2
94.06600	1.3
95.04977	1.5
95.08608	2.5
95.66875	0.8
95.83561	0.8
97.06518	1.5
98.06081	6.5
98.98454	1.6
104.07113	6.1
104.10741	0.9
105.07038	2.5
107.08600	2.0
111.08054	1.0
112.07636	1.6
112.11296	0.8
119.08574	1.4
120.08076	1.1
120.20571	0.7
121.10117	2.0
122.02721	1.6
126.05535	1.2
128.10722	10.5
129.10220	0.8
131.08586	1.1
132.10211	6.3
142.08696	1.3
147.11696	1.1
147.84381	0.9
149.09628	3.7
149.53339	0.7
158.08163	1.2
166.12305	1.5
173.12875	100.0
176.04477	0.9
184.13408	1.0
193.12283	2.5
201.12358	33.0
210.14870	1.2
211.13292	3.7
228.15913	1.1
245.18655	1.6
251.08688	1.1
252.15910	2.4
270.17023	1.9
273.88159	0.8
278.17581	0.9
288.18011	6.8
296.18759	1.0
314.19678	23.3
314.23016	1.5
330.75711	0.8
332.21048	1.9
332.24350	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80852	0.8
55.05493	1.5
56.05029	0.8
67.05481	2.4
69.03406	3.1
69.03741	0.8
69.07050	1.5
69.67275	4.3
70.06593	5.8
71.04973	1.3
79.05484	5.3
81.03414	0.8
81.07065	4.6
83.04958	2.9
83.08603	0.9
84.04517	3.2
85.02882	0.8
86.06075	25.4
87.04472	21.2
91.05450	1.5
93.07066	6.7
95.04930	1.3
95.08576	1.9
97.06528	1.2
98.06059	63.5
98.21475	1.4
98.98475	1.0
104.07105	4.5
105.06999	0.9
107.08562	2.1
109.06513	0.7
111.08052	0.9
112.07575	2.2
121.10152	7.6
124.07590	1.3
126.05528	13.2
126.09109	1.1
131.08534	2.8
138.12766	1.5
139.11124	1.9
142.08595	3.0
147.11571	0.9
149.09631	14.4
154.08643	4.4
158.08099	1.1
166.12296	5.0
167.10611	1.5
173.12904	1.1
184.13362	7.4
193.12279	1.4
201.25066	0.7
202.14397	1.0
206.15408	5.2
210.15077	1.0
211.13283	3.0
224.16498	7.4
234.14822	3.5
250.14159	0.7
252.15968	28.0
270.17014	2.7
276.56232	0.7
278.17554	1.2
288.18057	100.0
289.18399	1.1
296.18774	0.9
314.19623	31.9
324.47702	0.8
332.20691	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	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86327	0.7
55.05495	2.1
56.05041	1.0
58.64400	0.8
60.04526	18.3
60.08153	3.1
63.42179	0.7
64.94392	0.8
67.05491	2.4
69.03430	1.9
69.07074	1.5
69.70577	4.3
70.02940	1.6
70.06584	2.6
71.04989	0.8
72.04498	1.4
79.05491	2.8
80.31328	0.7
81.03413	2.1
81.07070	4.6
83.08622	1.3
84.04491	2.4
84.73497	0.6
85.02895	2.2
86.06074	9.6
86.09711	77.3
87.04475	8.4
87.04930	0.9
87.05034	0.8
87.05599	13.9
91.05476	2.4
93.07034	3.0
94.06573	0.9
95.08610	2.7
97.06510	1.8
98.06053	5.9
98.21490	1.0
98.98466	2.5
102.05560	1.1
104.07121	5.9
104.10751	0.8
105.07028	2.1
107.08587	1.4
110.66619	0.6
111.08051	0.8
112.07620	1.8
119.08591	1.5
120.08106	0.8
121.10107	1.9
124.07592	1.2
126.05529	2.0
126.09154	1.2
128.10718	7.9
131.08624	1.1
132.10197	4.5
138.12706	0.7
142.08617	1.0
147.11774	1.5
149.09622	5.3
155.68709	0.6
173.12869	100.0
175.11250	0.6
182.41161	0.7
184.13420	1.4
193.12230	1.5
195.13867	0.9
197.48698	0.7
201.03084	0.7
201.12343	35.4
210.14890	2.3
211.13347	3.9
224.16536	1.0
228.16167	0.9
245.18642	2.6
251.08723	0.8
252.15997	2.8
270.17065	2.7
278.17670	0.9
288.18106	7.4
296.18665	0.8
314.19656	31.6
314.23117	1.7
332.07526	0.8
332.11349	1.6
332.20966	2.1
332.24344	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	332.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05509	3.7
56.05029	2.8
58.06576	1.0
58.30004	0.8
59.73660	0.9
67.05500	4.6
69.03423	2.7
69.07070	1.6
70.06593	3.0
70.22794	1.5
70.23186	1.5
71.04982	2.8
79.05495	4.9
80.04974	1.5
81.03421	3.4
81.07069	8.1
82.06563	1.0
83.04974	2.6
83.08605	2.6
84.04510	4.7
84.08140	1.6
85.02911	1.3
86.06071	22.9
87.04472	22.7
91.05486	3.9
93.07047	6.8
94.06541	0.9
95.04975	2.1
95.08614	4.0
96.08142	2.1
97.06544	4.6
97.10210	1.4
98.06062	9.2
98.98481	0.6
102.05550	2.7
104.07111	17.8
105.07018	3.5
107.08593	2.5
109.06516	1.1
110.05974	1.1
111.08081	1.2
112.07604	6.3
119.08559	1.3
121.10138	2.4
123.08048	0.9
123.11835	0.6
124.07592	3.6
125.09692	0.8
126.05514	1.4
129.06993	1.2
131.08572	2.2
133.10103	1.6
135.11676	0.9
138.12799	1.8
140.07123	1.2
142.08667	2.6
147.11708	2.5
148.07587	0.7
149.09631	9.8
149.13261	1.1
150.68060	0.6
157.10138	1.1
158.08150	3.3
158.29311	0.6
159.11710	1.2
165.12729	1.4
166.12360	1.2
175.11205	2.6
177.12723	1.5
182.15437	2.1
184.13351	1.9
193.12210	4.8
194.15414	0.8
195.13831	2.0
196.16747	0.7
201.58109	0.7
210.14874	6.9
211.13313	10.8
222.59476	0.9
228.16093	1.4
230.17551	0.7
250.18027	1.6
252.16008	2.2
260.16501	1.5
268.19006	0.7
270.16971	8.1
278.17563	3.4
278.20709	0.6
286.20007	0.9
288.18085	6.1
296.18546	4.7
314.19632	100.0
332.20718	4.2
332.24377	2.8
340.16202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05507	3.8
56.05031	2.4
67.05505	6.2
68.05025	1.2
69.03414	4.5
69.07074	2.4
69.34060	1.0
70.06584	7.9
70.71160	2.4
71.04974	3.7
79.05490	6.1
79.42968	1.0
81.03414	3.2
81.07062	6.9
83.04970	5.1
83.08603	2.3
84.04507	4.4
85.02882	1.5
86.06072	35.0
87.04471	35.7
91.05484	2.9
93.07042	6.9
95.04975	1.4
95.08604	4.6
97.06539	3.7
97.10127	1.5
98.06058	76.2
102.05524	1.4
104.07104	16.8
105.07017	2.2
107.04934	1.1
107.08578	1.8
109.06535	1.1
112.07619	5.2
121.10155	9.0
124.07605	2.8
126.05529	17.5
131.08582	4.5
133.10072	1.1
138.12753	1.9
139.11183	3.7
140.07076	2.1
142.08646	5.2
148.92809	1.2
149.08461	0.8
149.09618	22.3
154.08583	4.9
158.08116	3.1
166.12282	6.5
167.10658	1.9
182.15361	1.2
184.13379	8.7
193.12241	4.1
193.17845	1.2
195.13824	1.5
195.85443	1.3
202.14368	1.9
206.15379	5.7
210.14886	4.6
211.13266	8.0
212.16487	1.5
224.16441	7.9
234.14836	5.6
252.13371	2.4
252.15948	34.6
260.16284	1.4
270.16974	7.4
278.17496	2.5
288.18054	100.0
296.18497	3.2
314.19617	86.9
332.20679	34.6
332.24582	2.3
352.80157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03954	0.7
54.47890	0.5
57.03432	1.1
61.02922	3.0
67.05495	2.3
68.20182	0.5
69.03432	7.0
69.98730	2.5
73.02909	1.9
79.05494	1.1
81.03428	1.5
81.07072	0.8
84.49564	0.5
85.02906	7.0
87.04463	1.6
93.05798	0.6
96.08145	0.6
97.02898	3.0
98.97579	1.4
99.04457	1.0
106.06564	4.3
108.08120	100.0
109.02905	1.2
113.02525	0.5
116.98618	0.6
123.06822	4.3
124.07600	14.5
127.03952	1.0
133.04991	0.5
134.06020	9.3
136.07581	12.8
137.08301	0.6
152.07071	64.8
154.08656	1.8
170.08121	6.3
170.09398	0.8
182.05032	0.5
207.45351	0.6
213.40475	0.5
219.02075	0.5
314.12329	35.0
332.13409	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	332.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05476	3.5
55.93503	2.7
56.96556	7.6
57.03431	2.7
61.02931	2.9
61.36813	2.2
67.05494	3.5
69.03441	6.1
69.07056	7.8
70.06586	5.5
70.73614	5.9
70.73972	3.2
72.08156	24.1
79.05489	4.0
81.03410	5.2
81.07076	2.7
84.04491	10.7
84.08147	3.6
85.02913	22.0
86.09711	100.0
91.05477	5.2
93.07059	6.4
97.02918	13.6
98.97585	9.6
98.98469	46.6
99.08082	4.5
102.05540	4.2
103.05471	6.4
104.96385	4.1
107.04989	5.7
108.08126	38.1
109.02868	3.9
116.07014	4.5
116.98645	2.6
121.06505	9.7
123.04512	3.7
123.05540	18.5
124.07570	9.3
127.03895	6.4
132.10201	9.5
132.95845	28.5
134.06017	3.3
134.09630	3.6
135.04387	11.6
136.06200	13.6
136.07552	3.5
143.00217	4.0
145.04945	9.2
146.97397	11.7
147.04427	3.4
149.05995	21.1
150.96889	6.3
152.07083	27.6
153.05417	3.0
155.08127	4.4
162.96782	2.7
166.06233	5.9
167.07051	73.2
170.08130	9.4
173.09270	4.2
178.12253	7.2
181.08633	30.7
185.16496	16.8
192.97922	10.0
193.14842	2.8
197.12787	3.3
199.18021	7.3
202.96426	19.3
203.13821	5.7
204.98096	2.6
211.09659	64.1
213.15964	8.1
215.13911	3.9
227.17628	3.4
234.99110	3.4
243.13345	4.2
262.98483	30.7
314.12344	18.0
332.13489	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
53.20811	1.3
55.05508	12.7
57.03432	7.5
57.07078	100.0
67.05176	1.8
67.05503	23.8
69.07070	15.4
69.37962	3.6
69.38375	7.7
70.06576	3.5
70.75183	1.5
71.06916	1.4
71.08631	71.9
71.25418	1.3
72.08947	1.4
75.04471	4.6
81.07062	34.9
83.08623	28.4
85.10185	41.3
88.07618	5.6
89.06001	2.4
89.07971	1.9
95.08610	58.9
96.35626	1.3
97.10171	14.7
98.98474	11.2
99.11747	2.5
106.08670	3.9
109.10155	26.6
109.26958	1.3
111.11736	4.2
117.91935	1.4
123.11726	13.3
125.13273	2.1
137.13231	4.3
150.00427	1.4
151.14862	1.4
157.62350	1.7
192.34587	1.6
221.22620	3.1
239.23682	24.8
257.22345	1.6
257.24750	8.8
301.97409	1.9
313.27356	86.7
313.33032	3.6
316.05911	1.6
331.34006	49.6
350.41174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
50.06444	1.5
55.05520	12.4
57.03445	7.7
57.07079	90.7
57.09310	1.3
64.09459	1.5
67.05506	24.7
68.53249	1.5
69.07072	16.6
70.06588	3.6
71.08635	61.5
75.04488	2.7
79.05482	3.4
81.07059	35.1
83.08624	24.0
85.06541	2.6
85.10187	38.3
88.07623	2.6
93.07037	2.2
95.08616	51.6
97.10174	12.8
98.20737	4.6
98.98473	100.0
99.11725	2.7
103.07558	1.5
107.08593	1.9
109.10156	28.3
111.11719	4.0
116.99500	2.2
123.11720	12.6
125.13187	2.2
126.78819	1.5
135.11711	1.6
137.13266	5.9
165.16422	2.2
174.99219	5.8
176.98949	8.2
221.22653	3.7
239.23695	26.1
257.24799	6.6
313.27371	65.7
316.06000	2.0
331.08163	4.8
331.18829	2.8
331.22528	23.0
331.26157	2.4
331.34003	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	331.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01858	3.3
55.05515	13.9
56.96579	5.2
57.00028	1.1
57.03432	2.4
57.07067	2.7
60.04507	2.3
61.02919	2.8
64.62000	1.0
65.03918	1.4
67.05510	40.5
69.03412	3.5
69.07073	17.2
70.06585	1.6
71.04998	10.1
71.57449	1.7
73.02896	2.6
77.35174	1.0
77.63190	1.1
79.05067	1.8
79.05496	26.2
81.03417	3.2
81.07061	37.2
83.04987	5.7
83.08612	7.3
85.02892	3.0
85.06549	7.8
91.05482	13.5
92.94485	1.1
93.06473	2.0
93.07049	33.9
95.04968	3.3
95.08612	33.8
96.08125	1.1
97.02896	3.4
97.06538	11.4
97.10187	7.7
98.97626	4.4
98.98472	100.0
99.04489	1.4
99.08103	7.3
100.98912	1.8
101.06068	1.5
105.07021	9.5
107.05004	1.0
107.08595	18.6
109.06529	1.9
109.10157	13.1
110.97617	1.4
111.08081	3.0
111.11662	1.3
112.99147	1.4
113.09656	2.6
116.98692	2.7
116.99469	1.9
117.07011	2.6
119.07825	1.2
119.08552	7.4
121.10151	30.2
121.11018	1.8
123.08061	2.5
123.11678	4.0
123.69508	1.2
125.09638	5.4
127.03903	1.9
129.07005	3.1
131.00169	5.6
131.08580	4.3
131.10707	1.9
133.10161	7.4
135.11713	18.9
137.09639	2.1
139.11160	4.6
143.00139	1.9
143.08539	2.7
145.10147	7.5
147.03108	1.5
147.04347	1.2
147.11707	6.0
149.01176	5.0
149.09561	2.1
149.13277	5.9
156.03583	2.2
158.99675	3.0
159.11696	3.8
161.05905	2.8
161.13260	4.8
162.03114	1.1
163.11238	2.0
165.12752	1.5
167.10735	1.1
171.11703	2.4
173.11694	3.0
173.13269	3.0
174.99248	4.9
175.14893	1.4
176.98943	9.5
178.07542	2.0
181.12268	1.9
185.11739	2.7
185.13278	2.1
187.13234	1.7
189.00731	1.3
189.05530	1.6
189.11229	1.9
189.12749	1.2
195.13812	2.4
201.14839	1.4
203.12796	2.9
215.06369	1.2
221.15271	1.7
235.06082	1.1
235.17087	1.3
241.19467	2.3
250.09645	32.1
250.59805	3.5
254.99399	1.6
259.20520	10.9
270.60870	1.5
277.21631	32.3
281.10580	2.6
293.08560	1.4
295.22659	12.5
299.11832	1.6
311.09930	1.2
316.05472	1.7
316.09052	1.9
320.08084	1.1
331.08420	1.8
331.12192	26.6
331.26657	9.6
331.62445	3.2
332.27878	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2243
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
65.82643	0.7
71.27380	1.4
79.70037	0.7
82.02998	0.8
85.79613	0.8
90.09576	0.7
98.98474	5.0
99.54856	0.8
148.19554	0.7
232.01205	0.7
290.91281	1.0
304.43646	0.9
331.22443	100.0
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
53.03942	1.2
55.01867	2.0
55.05514	8.6
56.96566	4.1
57.03426	1.7
57.07069	1.5
65.03942	0.7
66.58920	0.7
67.05507	22.2
69.03429	1.0
69.07068	11.1
69.73109	1.9
69.73515	3.3
69.93732	1.0
71.04993	6.7
71.08659	0.9
79.05495	14.6
81.03410	1.4
81.07056	22.6
83.04978	3.2
83.08624	4.2
84.08130	1.1
85.02908	1.8
85.06534	3.5
91.05482	11.7
92.68880	0.9
93.06470	1.4
93.07049	19.6
95.04949	1.8
95.08609	17.9
97.06539	10.4
97.10160	4.0
98.98468	100.0
99.08092	4.8
100.98882	2.2
102.00974	1.0
105.07014	7.0
107.05009	1.0
107.08592	10.1
109.06537	1.1
109.10168	7.0
111.04442	0.9
111.08077	1.0
116.98547	1.2
116.99476	1.8
117.06991	2.3
119.08570	3.5
121.10143	20.5
122.65076	0.9
123.08093	1.2
123.11686	1.5
124.99095	0.9
125.09612	2.8
127.03877	1.6
128.04977	1.1
129.07014	1.2
131.08565	2.9
133.10136	4.9
135.11694	9.9
139.11174	2.8
143.08549	1.6
145.10104	5.8
147.11678	3.6
149.09621	1.7
149.13257	3.7
157.12286	1.0
159.11671	3.7
161.01262	0.8
161.05983	1.7
161.13231	1.4
162.03114	0.8
171.11679	1.5
173.11717	2.1
173.13104	1.2
174.99266	4.7
175.07596	1.1
175.14839	1.4
176.98935	8.8
181.12331	1.2
183.11617	0.8
185.11801	1.8
185.13297	1.8
187.13344	0.9
188.01086	1.0
189.09209	1.4
189.11205	1.2
190.05032	6.1
195.13802	2.1
203.12802	2.1
218.04436	1.2
238.06328	0.9
241.19543	2.5
252.99692	2.5
254.99529	1.9
259.20584	6.0
277.21646	20.8
285.12335	4.8
295.22711	5.8
302.09082	1.8
313.14716	1.0
316.05789	1.0
331.08044	2.2
331.15805	4.1
331.22507	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.0
63.35644	1.3
66.44199	1.1
67.05492	3.7
77.39821	1.4
79.05506	1.3
81.07032	2.0
85.28044	1.2
93.07022	1.5
94.87534	1.3
95.08641	2.4
98.98470	70.3
100.98889	1.5
109.10158	2.2
110.97582	1.9
174.99200	3.3
176.98901	6.5
199.06473	1.5
210.92677	1.2
233.11433	1.7
237.04359	1.8
252.99707	1.7
313.17758	18.2
331.08176	3.9
331.18863	100.0
332.19101	1.7
340.15686	1.3
349.16849	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	331.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17938	0.7
53.03946	2.1
53.64626	0.7
55.01873	2.5
55.05267	0.8
55.05517	14.4
56.96566	2.9
57.03442	3.9
57.07075	1.5
59.03532	0.6
59.05008	0.8
60.19807	0.6
61.02927	2.0
67.05519	3.7
69.03429	6.9
69.06722	1.0
69.07072	13.0
70.06603	5.4
71.05005	2.4
71.06940	0.9
71.08629	1.4
71.56741	0.9
72.08156	3.5
73.02922	1.3
73.06573	0.7
74.06087	1.5
79.05499	6.7
81.03414	4.3
81.07065	62.3
83.05006	3.9
83.08618	3.1
84.04502	2.0
84.08164	5.3
85.02908	8.7
85.06541	2.8
85.10191	0.7
86.09709	5.1
87.04476	1.0
87.10020	0.8
91.05479	3.0
93.07062	2.6
95.04975	2.7
95.08617	7.6
97.02894	6.1
97.06548	4.0
97.10184	0.8
98.09687	0.9
98.98476	100.0
99.04447	3.0
99.08102	51.1
100.98906	2.2
105.07020	2.1
107.04969	2.2
107.08598	2.4
108.08139	0.7
109.02874	1.8
109.06524	3.5
109.10165	3.0
110.07181	1.2
110.97587	0.7
111.04421	1.6
111.08086	3.9
113.06061	1.3
113.09652	12.9
115.03938	1.0
115.07611	0.9
116.07109	2.7
116.98646	2.0
116.99550	1.9
119.04982	1.2
120.08144	0.9
121.06448	1.1
121.10137	0.9
123.08082	3.0
123.11726	2.0
125.09667	2.8
127.03966	4.9
127.04762	0.9
127.11131	0.8
129.10251	2.2
130.04967	0.8
135.04457	1.4
135.08144	0.8
135.11746	1.4
137.06004	2.7
141.09131	6.2
143.00188	2.0
145.04988	2.0
147.04437	1.7
149.09676	1.3
151.03868	0.8
151.07608	1.5
151.11212	5.2
153.11548	0.8
153.12758	13.9
157.08743	0.8
158.99754	1.0
161.01221	1.1
163.03883	0.6
169.09790	5.2
169.12234	6.5
174.99225	5.4
175.09695	1.8
176.98938	8.1
179.07109	1.1
179.10625	0.9
185.01270	1.2
188.14754	1.5
193.12265	1.1
195.08618	0.8
204.14308	0.7
209.11766	0.8
216.06401	0.9
219.01694	1.0
221.11823	1.9
239.02362	1.0
251.12869	1.6
252.99916	1.9
254.99510	1.0
269.13931	1.7
287.14850	0.8
313.12585	0.8
313.27533	0.8
314.19803	0.8
316.06186	0.8
331.04593	1.0
331.08179	1.5
331.13480	4.1
331.17664	2.5
331.22992	1.3
332.20572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.43236	1.5
53.03958	2.3
55.01860	2.2
55.05502	3.9
56.96545	1.8
57.03434	2.2
65.03938	1.3
67.05508	1.4
68.37247	1.2
69.03413	4.5
69.07068	3.2
69.64201	5.9
69.64603	3.0
70.06599	2.2
71.04999	1.6
73.02929	1.8
74.48315	1.2
79.05489	4.4
81.03422	4.2
81.07053	6.0
83.04967	2.7
83.08618	2.4
84.04517	1.4
85.02902	4.0
91.05487	30.0
93.07030	1.9
94.04191	2.8
95.04984	6.8
95.08587	1.9
97.02930	2.9
97.06529	4.1
98.20840	2.8
98.97591	2.6
98.98470	77.9
99.04440	2.2
100.98903	1.5
103.05466	4.3
103.35382	1.3
105.07021	6.6
107.04955	7.1
107.08598	1.6
109.02889	1.7
109.06519	4.2
111.08089	2.5
113.09672	1.4
115.05531	2.1
116.60838	1.3
117.07002	1.6
119.04950	19.5
119.46327	1.4
121.06536	7.6
122.03629	5.7
123.08041	1.5
127.03908	4.0
128.06216	3.0
129.07018	14.2
131.04913	6.2
133.06499	2.8
133.10126	1.8
135.08066	6.2
136.05186	3.2
137.05988	73.2
139.07600	2.1
141.09109	1.8
143.04933	1.8
145.06516	3.2
146.03731	1.5
147.04343	1.4
147.08044	1.4
149.05998	11.5
151.03935	3.3
151.07550	100.0
152.06252	2.7
157.06464	10.9
161.06004	10.9
161.09651	2.4
163.07553	21.5
165.06999	11.5
165.09096	5.1
166.07726	2.6
167.07227	2.3
167.08577	17.3
169.06506	2.1
169.73256	1.6
174.06773	6.3
174.99159	2.8
175.07565	4.0
176.98975	5.8
177.05544	1.4
177.06979	2.8
177.09201	1.9
178.07820	5.6
179.08559	1.9
181.06467	3.9
182.07228	4.4
184.08710	1.7
189.09105	35.4
189.10733	2.3
192.09296	1.7
193.06499	7.7
193.10158	6.6
194.07242	3.3
195.08055	26.3
196.08823	1.6
197.05978	4.4
198.47792	1.2
199.07578	2.0
203.08574	3.2
205.06441	2.0
206.07297	1.9
207.08249	3.2
207.10172	4.2
209.06010	2.6
209.09680	2.7
209.11742	3.3
210.06799	8.7
211.07568	4.7
212.08374	4.1
219.08081	2.6
220.08995	1.5
221.06004	10.8
221.09584	9.7
223.07588	11.7
224.08368	4.4
225.09076	10.5
226.16556	1.3
227.10680	29.9
237.09010	3.1
238.06299	4.6
239.10730	1.4
240.07791	2.5
241.08702	2.8
241.12158	2.3
244.09576	1.6
249.09111	5.7
251.06969	1.5
252.07771	2.3
253.08670	14.0
253.12267	15.0
254.99660	1.6
255.10176	29.7
259.13309	1.6
266.09534	2.2
267.10172	5.6
269.08014	4.5
269.11932	1.4
270.08911	2.1
272.10559	2.8
281.11597	6.3
284.10440	2.5
285.08167	1.9
285.11224	21.7
287.09592	3.4
287.12787	56.2
295.11816	1.8
298.12149	2.3
301.14243	1.3
313.08267	4.0
313.14322	19.8
331.08594	2.2
331.15466	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01873	2.2
55.05516	0.7
56.96560	0.6
58.56686	0.3
59.44046	0.3
60.04531	0.3
60.57329	0.3
65.03949	0.4
67.05512	0.9
69.03422	0.6
69.07062	0.7
70.06583	0.7
71.04971	0.5
71.57125	0.5
72.08149	0.5
79.05484	1.4
80.05006	0.4
81.03407	0.6
81.07062	1.0
82.06567	0.9
83.08628	0.3
84.08128	0.7
85.02896	0.6
91.05466	1.1
93.07044	0.8
94.06563	2.0
95.04964	0.5
95.08601	0.6
97.06533	1.3
98.06052	0.6
98.98471	24.8
100.98883	0.8
101.00874	0.3
105.07046	0.5
106.06552	1.8
107.04930	0.4
108.04489	3.2
108.08133	0.7
109.06534	0.6
109.10195	0.5
110.06033	1.0
111.08102	0.4
119.01897	0.4
119.04955	0.6
120.08095	1.1
121.06503	0.5
122.06038	2.9
123.11684	0.4
124.07574	0.7
131.07280	0.3
131.08568	0.4
134.06009	1.4
136.03941	2.0
136.07587	0.6
137.05984	1.3
140.07077	0.3
144.08075	0.7
146.06017	0.5
147.04353	0.8
148.07599	1.0
150.05475	0.6
151.07516	1.3
151.11212	0.4
156.08095	0.4
157.08826	0.5
158.09631	0.4
158.11775	1.1
159.09261	0.5
160.07616	0.5
161.05971	0.4
161.07146	1.9
162.03224	0.4
162.05498	5.6
163.06265	0.4
163.07529	0.4
164.07051	1.9
168.06612	1.3
170.08224	1.0
170.09694	0.9
172.11212	0.6
173.10764	1.0
174.09198	0.5
174.99222	1.1
176.07164	1.5
176.98938	2.5
181.12300	0.3
182.08162	0.4
183.09151	0.6
184.07550	1.0
184.11258	0.8
185.07037	0.5
185.10797	0.4
186.07823	0.5
186.09229	0.5
187.08667	2.6
187.12270	0.6
189.06607	6.6
194.08113	0.9
197.08386	0.4
197.10878	0.5
198.09151	1.1
199.08676	0.9
200.09482	1.2
200.10950	0.7
201.10257	5.7
203.08212	3.0
207.04221	0.3
211.08704	1.2
211.12326	0.7
212.10869	1.5
213.10280	2.3
214.07420	1.1
214.10718	0.4
214.12610	0.4
215.08188	9.4
215.11664	3.5
222.09280	0.3
224.09283	0.6
225.10275	1.7
226.08655	1.0
226.10950	0.5
227.08141	1.3
228.08957	1.4
229.06166	0.5
229.09747	10.8
229.13161	1.7
231.11308	0.7
239.08110	0.5
239.11786	2.0
240.10165	1.0
241.09866	1.5
241.13408	0.5
242.10315	0.8
243.07698	1.8
243.11290	6.0
247.14435	0.7
251.08281	0.8
252.08904	0.4
252.99652	0.5
253.09909	0.6
254.10419	0.7
254.99554	0.5
255.11185	1.1
257.09241	7.7
257.12866	6.3
259.10901	0.5
267.11316	3.8
268.09683	0.9
269.09232	0.8
269.12878	0.4
271.10776	6.1
275.13977	3.0
285.12369	9.9
287.12924	0.5
295.10818	3.6
303.13416	3.0
313.08691	0.3
313.11810	14.8
331.12888	100.0
331.27429	1.2
332.13321	1.5
332.20676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
52.53039	0.2
55.05510	0.3
55.45688	0.2
57.07078	5.5
58.06602	0.4
62.06085	0.2
63.45216	0.2
63.49364	0.2
63.98246	0.2
69.07055	0.3
69.79049	1.3
70.06596	10.0
71.08641	2.5
74.06097	1.2
85.10174	1.1
88.07635	12.8
97.35901	0.2
98.21496	0.4
98.98473	2.6
102.09195	3.5
106.08672	6.8
108.26276	0.2
167.17505	0.2
258.96249	0.2
260.84186	0.3
268.29974	0.2
286.31116	0.5
303.16467	0.2
312.32584	5.7
312.36157	0.3
330.33667	100.0
331.33966	1.2
348.18475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Morusimic acid D
Peak:m/z	Relative Intensity
55.05527	1.5
56.05026	1.4
57.03432	0.9
57.07079	11.1
58.06585	1.0
60.04533	7.5
63.26558	0.3
67.05511	2.7
68.05034	2.8
68.38533	0.3
69.03432	0.6
69.07068	1.8
69.45067	2.5
70.06598	4.5
71.04983	1.3
72.04502	1.0
74.06053	0.5
79.05515	2.2
80.05022	2.0
81.07068	4.1
82.06585	1.5
83.04989	0.6
83.08626	0.7
84.04497	0.4
84.08132	0.9
85.06551	9.0
88.07608	0.3
90.05544	0.5
91.05491	1.1
93.07047	2.8
94.06577	10.1
95.04971	0.3
95.08609	2.4
97.06541	0.4
98.06066	1.7
98.21532	0.6
98.97517	0.4
98.98470	7.5
101.00890	0.6
105.07001	1.2
107.08621	1.0
108.08123	0.8
109.10152	1.1
112.07684	0.4
113.09638	0.3
116.07079	0.5
119.01887	0.4
119.08601	0.5
120.08084	0.7
121.10168	2.4
123.11729	0.4
131.08580	0.4
133.10100	0.4
135.11743	0.8
143.01907	0.7
147.11687	0.7
157.03378	0.4
159.11603	0.4
161.03020	0.5
175.04501	0.4
176.98822	0.4
181.15816	0.6
187.00903	0.4
220.17010	0.6
226.21713	1.7
229.01881	0.4
238.21678	11.1
240.23395	0.5
247.87810	0.3
252.23216	0.5
256.22754	6.9
264.23257	5.3
266.24847	1.4
276.23221	7.4
294.24261	4.6
312.25339	3.2
330.26407	100.0
331.26721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Morusimic acid D
Peak:m/z	Relative Intensity
53.03952	0.4
55.01866	0.4
55.05308	0.3
55.05515	3.2
56.05040	1.5
56.05262	0.3
56.96560	0.3
57.03430	0.9
57.07067	1.1
59.17935	0.3
60.04529	14.4
65.03944	0.4
67.05177	0.4
67.05509	6.1
68.05035	1.6
69.03450	0.7
69.07070	2.5
69.27154	1.4
69.27579	1.2
70.06602	1.8
71.04988	0.6
72.04514	1.5
73.02918	0.3
74.06081	0.4
77.76537	0.3
79.05494	3.8
80.05019	5.4
80.05759	0.3
81.07059	5.6
82.06580	2.5
83.08630	1.3
84.04500	0.6
84.08121	0.5
85.02909	0.6
85.06525	0.8
86.06070	0.8
90.05561	0.5
91.05488	1.8
93.07048	3.5
94.06573	5.3
95.04980	0.7
95.08611	4.4
96.04511	0.5
96.08139	0.9
97.06535	0.8
97.10165	0.3
98.06044	1.0
98.98472	9.2
98.99126	0.5
101.00912	0.3
105.07040	1.3
106.06559	0.8
107.08578	1.1
108.08107	0.8
109.10178	2.0
110.06045	2.4
110.09676	0.6
112.07616	0.5
114.05549	0.7
116.07072	0.9
119.08570	0.7
120.08072	1.5
121.10154	1.2
122.09655	0.4
123.11679	0.4
124.07584	0.3
128.07097	1.1
129.06996	0.3
132.06566	3.8
132.22235	0.3
134.09648	0.9
135.11647	0.4
138.09143	0.9
142.08707	0.4
143.01932	0.3
147.11687	0.3
154.08664	0.4
161.02982	0.4
174.99268	0.5
176.98944	1.0
199.28081	0.3
201.80170	0.3
208.05244	0.4
220.20801	0.4
223.58994	0.3
226.21751	1.4
238.21638	3.2
240.23282	0.4
252.23082	0.3
256.22733	4.1
264.23300	0.5
266.24670	0.4
268.19089	1.1
276.23233	2.3
282.24426	0.3
284.33774	0.3
294.24292	3.0
303.22385	0.3
312.21835	0.7
312.25305	5.5
315.08749	0.3
330.26395	100.0
331.11996	0.3
331.26859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.5
55.05514	24.4
57.03439	7.3
57.07071	9.7
65.03932	3.7
67.05180	4.5
67.05513	63.1
69.03423	5.2
69.07075	42.0
71.04992	8.6
71.08646	16.6
71.57656	4.7
71.99484	3.8
79.05499	39.0
81.03410	7.9
81.07061	56.1
83.04980	12.0
83.08621	8.6
85.06558	5.1
85.10184	19.1
87.04482	7.9
91.05484	18.0
93.07054	53.1
95.04948	9.3
95.08617	70.2
95.13487	2.8
96.08953	3.6
97.06520	10.1
97.10168	16.6
98.98473	100.0
99.08102	17.4
105.07016	19.7
107.08617	29.3
109.06496	7.2
109.10136	16.9
109.19269	3.2
110.01290	3.6
111.11726	4.5
113.09665	32.0
117.07026	4.5
119.08586	19.0
121.10151	48.5
123.08133	4.9
123.11712	5.4
125.09637	14.3
127.11209	3.6
129.07004	4.6
131.08551	11.2
133.10144	14.2
135.11694	14.6
137.09602	7.1
139.11171	16.2
141.12759	6.4
145.10103	5.5
147.11716	15.2
149.09624	11.3
149.13266	4.0
151.11226	7.4
153.08952	3.0
157.10065	4.1
157.12300	6.1
161.13268	9.5
163.11224	3.8
165.12761	12.3
167.10712	11.8
171.11720	3.4
173.13222	5.0
174.99200	4.1
176.98863	4.8
179.14392	4.0
181.12285	3.0
183.13722	3.9
185.11830	5.5
189.11272	7.7
193.12326	8.7
203.12804	11.5
207.13812	3.3
211.13310	7.5
221.15373	5.1
259.20682	8.4
277.21616	58.3
295.22656	45.3
330.29980	8.3
330.33548	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
54.62400	1.1
55.01860	3.9
55.05510	54.9
56.96568	1.8
57.07073	1.5
60.04518	1.1
63.05461	1.1
65.23848	1.1
67.05179	2.0
67.05508	25.1
69.03436	6.3
69.07069	15.6
71.08282	1.6
71.08635	19.4
71.26493	1.4
71.26829	1.4
72.04525	1.3
78.70230	1.3
79.05128	1.4
79.05497	15.8
79.95415	1.2
81.03406	2.9
81.07060	24.0
83.04977	5.1
83.08147	2.5
83.08621	37.5
85.06516	2.0
91.05473	8.0
93.07037	13.1
95.04944	3.2
95.08604	7.7
97.06529	1.5
97.10174	74.8
98.10534	1.2
98.98465	15.9
99.08094	15.6
101.09640	1.4
105.07011	4.9
107.08585	25.4
109.06531	1.0
109.10160	7.3
111.08075	3.3
117.06998	2.6
119.08572	3.6
121.10152	3.4
123.11755	1.5
125.09629	64.8
126.12785	3.0
131.08554	1.6
133.10112	4.8
135.08026	5.2
135.11684	4.1
143.10651	3.2
145.10092	2.2
147.11694	2.7
149.13264	2.9
151.11160	9.7
153.09109	4.1
161.13232	6.4
163.11157	4.3
171.10162	19.7
179.14253	5.9
189.11220	100.0
193.15941	1.3
211.17026	1.5
229.07463	2.9
241.19603	2.6
255.08926	1.4
259.20605	4.5
277.21631	70.5
295.22681	18.9
311.69571	1.2
312.25296	2.2
331.15897	4.3
349.16736	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.9
55.01854	10.3
55.05305	5.1
55.05518	54.4
56.96567	11.0
57.03420	8.7
57.07070	12.1
58.61161	4.4
62.96888	4.4
67.05510	100.0
69.03426	10.0
69.07063	38.6
69.91814	9.1
69.92224	15.1
70.06583	4.5
71.04996	7.3
71.08642	23.9
71.75170	5.3
74.98483	4.6
75.98933	4.7
79.05499	67.0
81.03437	5.6
81.07063	98.5
83.04983	36.3
83.08617	25.6
85.06488	5.4
87.04468	25.3
91.05499	36.3
93.06490	5.5
93.07059	92.1
95.04974	24.5
95.08613	63.4
97.06538	21.5
97.10172	18.4
98.98474	68.3
99.08086	21.1
105.07027	36.5
107.08614	37.8
109.10170	33.2
111.08045	7.0
117.07008	11.8
119.08608	22.2
121.10155	33.6
122.63050	5.2
122.82307	4.9
123.08092	4.7
125.09666	10.4
131.08607	22.4
133.10153	28.2
135.11710	27.7
137.09637	7.9
139.11188	44.3
143.08617	4.9
145.10115	7.6
147.11679	18.6
149.09621	6.3
149.13223	21.9
151.11188	18.3
153.12712	4.7
157.10207	9.9
159.11694	17.7
161.13248	18.5
163.11154	11.7
165.12782	5.8
171.11659	4.9
173.13263	6.1
175.14729	6.3
176.99023	7.3
177.12791	9.8
189.11227	6.0
193.12210	10.0
195.13821	61.1
212.93205	5.5
249.22267	5.8
259.20541	9.2
263.71774	4.1
270.27878	10.7
277.21640	82.7
295.22708	37.0
296.23376	4.5
330.29953	31.8
330.33698	8.5
331.18835	5.7
349.16742	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	1.7
55.05515	6.4
56.05030	1.7
56.96566	0.8
57.03449	0.6
57.07059	0.8
60.04529	31.1
61.98837	0.5
67.05509	8.0
68.05023	0.7
69.03419	1.9
69.07067	3.8
69.29475	3.3
69.29892	1.6
70.06591	1.0
71.04987	1.9
72.04507	3.0
74.06073	0.9
79.05502	6.4
80.05027	4.2
81.03404	2.2
81.07060	9.3
82.06570	1.0
83.04980	2.6
83.08637	2.5
84.04494	1.7
85.02892	1.0
85.06544	0.8
86.06081	2.6
86.09722	2.6
87.04459	0.8
90.05566	4.1
91.05480	4.7
92.05027	0.7
93.07037	4.5
94.02949	0.6
94.06575	3.2
95.04971	2.3
95.08614	5.8
96.04505	3.1
96.08150	0.7
97.06512	2.0
97.10175	2.0
98.06052	2.0
98.98472	14.9
100.03973	0.8
100.58723	0.5
102.05534	1.1
104.07127	0.6
105.06367	0.5
105.07027	1.9
106.06563	9.3
107.04958	2.0
107.08592	4.0
108.08112	1.4
109.06539	1.3
109.10142	2.3
110.06050	1.4
111.08070	0.9
114.05537	1.5
116.07108	0.6
117.07037	1.1
118.06524	1.4
119.08543	3.1
120.08103	3.8
121.06527	0.8
121.10145	3.1
122.06033	1.8
122.09672	1.0
123.08104	0.6
123.11673	1.0
124.03965	0.7
124.07591	2.2
124.11210	1.0
124.55271	0.5
125.09636	1.6
128.17111	0.6
129.07027	0.7
130.04987	1.5
131.08557	1.0
132.05606	1.0
132.06561	13.0
132.08083	0.9
133.10126	1.7
134.06001	0.7
134.09666	2.7
135.08058	0.7
135.11684	2.1
136.07600	5.8
137.06012	0.6
137.13226	0.5
138.09116	0.6
142.08658	1.4
143.01949	0.9
145.10133	1.5
146.11777	0.9
147.04404	0.6
147.08090	0.7
148.07547	1.0
148.11252	0.8
149.13284	0.8
150.09166	4.6
153.12758	3.2
154.08601	1.6
155.08568	0.7
156.06445	0.9
157.13365	1.4
160.07610	0.8
160.11328	0.6
161.03008	1.1
161.13234	2.5
162.09140	1.3
163.11150	0.7
164.10710	1.0
172.11348	0.6
173.09593	1.8
173.13345	0.8
174.99239	1.2
175.14833	0.6
176.10774	0.6
176.98982	0.8
179.14308	4.8
180.10306	0.8
191.10648	0.9
197.15451	0.8
206.11679	0.8
220.56297	0.6
221.15462	0.6
228.17500	0.7
229.01955	0.6
234.18544	1.6
246.18587	7.7
248.20131	0.9
252.19646	4.1
258.18527	4.6
264.19571	8.2
276.19617	10.3
279.28082	0.6
294.20639	15.7
294.24023	0.9
306.09827	0.6
309.91885	0.7
312.18045	8.6
312.21722	21.6
315.08658	1.1
324.63190	0.6
330.04095	1.2
330.22769	100.0
330.26611	6.2
330.28653	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	329.2686
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.05265	1.1
55.05514	14.1
57.03435	2.4
57.07078	6.7
67.05169	1.2
67.05511	18.1
68.64781	0.9
69.06496	0.8
69.07070	16.3
71.08078	1.6
71.08636	4.2
79.05494	8.6
81.07061	18.1
83.04981	1.2
83.08624	13.6
85.10174	1.7
91.05476	0.9
93.07051	11.0
95.08605	13.1
97.06554	6.1
97.10168	8.1
98.98472	100.0
99.08073	1.5
107.08592	9.1
109.10154	6.6
111.08095	3.0
111.11726	2.8
116.99497	1.8
121.09334	1.2
121.10157	19.3
123.11699	6.1
125.09637	2.2
135.11691	12.9
137.13269	3.9
139.11107	0.9
149.13271	6.4
163.14815	3.0
174.99234	10.7
176.98965	5.5
177.16315	0.8
219.21083	20.1
220.63437	0.8
237.22144	19.6
252.99782	2.0
255.23186	2.2
311.25818	11.6
329.26761	3.1
329.32437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.7
55.01871	2.7
55.05505	2.9
56.05028	2.1
57.03428	1.2
60.04521	5.4
62.06074	3.6
67.05500	3.7
68.04988	0.9
69.03429	1.2
69.07065	14.2
70.02945	1.3
70.06584	3.4
71.05006	1.4
71.56780	0.9
72.04483	0.8
72.08141	3.5
73.02915	2.8
73.06544	1.1
77.98982	0.8
79.05473	3.0
80.05015	1.6
81.03410	1.5
81.07049	5.7
82.06612	1.1
83.04985	0.9
83.08604	1.6
84.04527	1.2
84.08144	1.4
85.02907	1.9
86.00649	1.2
86.06069	28.7
86.09702	7.4
88.03957	1.1
91.05476	3.0
93.07035	3.6
94.06572	2.8
95.04941	1.1
95.08620	3.0
96.08134	3.9
97.02895	1.0
97.06525	3.4
98.09684	3.1
98.98471	34.2
99.04450	2.7
100.07597	1.0
101.00886	1.9
101.02399	5.4
101.05933	0.8
102.05566	2.3
105.07048	1.7
106.06569	0.9
107.08608	2.2
108.08115	2.4
109.06516	9.1
110.06012	1.0
110.09690	1.4
111.08091	8.0
112.07632	1.1
113.45657	0.7
114.09168	1.5
115.07578	1.3
116.07089	1.1
116.10728	15.9
119.01916	2.1
119.08620	1.2
120.08105	1.9
121.06526	1.6
121.08880	1.1
122.09679	1.6
126.09151	0.8
128.06180	0.8
134.09650	4.0
137.02367	2.2
137.06013	6.6
138.02664	1.9
138.09149	1.7
142.08633	3.1
142.12317	0.8
143.01909	1.4
150.01759	1.0
150.09134	3.8
151.07576	2.9
152.10709	3.9
158.99603	1.2
161.02946	2.2
162.09125	1.0
168.02753	1.7
170.11769	7.6
174.99254	1.9
175.04535	1.1
175.99664	0.9
176.98941	1.4
180.10197	3.3
187.00856	1.6
193.06563	0.9
198.11267	79.0
203.03938	1.0
207.10326	1.2
208.05219	3.2
216.12315	100.0
227.17699	1.1
229.01936	1.9
236.04739	1.5
254.05849	1.6
255.10080	0.8
265.99802	0.8
269.08096	3.0
272.06555	2.9
273.07150	2.3
276.23007	0.8
287.12775	1.5
294.20673	2.2
294.24078	1.1
300.06052	2.2
301.06656	10.3
312.18268	1.5
312.21729	5.9
312.25189	2.1
313.14398	0.9
315.08734	6.0
330.06949	49.4
330.10910	6.1
330.19440	1.2
330.22739	18.4
330.26416	18.5
331.07162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2087
Annotation	HU-331
Peak:m/z	Relative Intensity
51.79906	0.6
63.84938	0.5
69.32619	0.5
69.81310	2.9
71.23228	0.5
98.21506	0.7
98.98474	38.0
111.00819	0.8
129.01843	3.6
131.87935	0.5
138.83818	0.5
139.00285	1.3
157.01343	1.0
162.18567	0.5
174.99255	2.7
176.98969	1.6
185.08194	1.3
196.95930	0.5
209.39709	0.6
216.60977	0.6
252.99648	0.7
329.20895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	1.0
55.01855	1.0
55.05297	0.4
55.05514	4.9
56.96567	0.9
57.03421	0.9
57.07067	0.7
59.04993	0.5
59.73613	0.4
65.28957	0.5
67.05508	8.8
69.03430	0.6
69.07068	5.0
70.06635	0.9
70.07056	1.3
71.04998	6.3
79.05498	8.4
81.03439	0.6
81.07058	8.0
83.04971	2.8
83.08629	1.9
85.02902	0.6
85.06538	1.2
91.04958	0.8
91.05486	7.3
93.07050	10.4
95.04972	1.2
95.08611	6.6
97.06541	6.1
97.10183	2.6
98.98471	100.0
99.08109	0.6
100.98893	0.9
104.99947	0.4
105.07034	5.9
105.79459	0.4
107.04987	1.4
107.08614	4.8
109.06522	1.4
109.10156	3.1
111.08113	1.0
112.99169	0.6
116.99503	1.4
117.07054	1.3
119.08572	3.4
121.06531	1.6
121.10154	5.1
123.04402	0.6
123.08083	1.1
123.11720	0.8
125.09650	1.2
129.07062	0.7
129.09151	1.6
131.08568	2.7
133.06432	0.9
133.10133	3.5
135.08171	0.6
135.11699	0.9
137.05977	1.0
137.09639	0.6
139.03859	0.5
139.11206	2.7
143.08556	1.0
145.10136	1.6
147.07977	0.5
147.11714	1.3
149.09546	0.8
149.13289	0.8
157.10161	1.2
159.11688	0.9
161.13295	0.8
163.11168	0.5
171.11699	0.9
173.01256	0.6
173.11852	0.6
174.99231	9.3
175.00679	0.7
176.98933	4.2
183.11658	0.6
185.11758	0.7
189.11249	1.2
191.10805	0.5
203.12759	2.9
211.14966	0.5
225.14948	0.9
233.15346	0.5
239.17926	0.6
243.06485	0.6
251.00089	1.1
252.99782	2.0
257.11874	0.7
257.18961	0.8
263.20145	0.6
275.17331	0.6
275.20120	6.4
285.11194	0.5
293.21173	2.4
311.16568	1.1
329.06580	0.7
329.13852	0.5
329.21240	1.0
329.27692	2.4
330.26559	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2086
Annotation	HU-331
Peak:m/z	Relative Intensity
68.30857	0.6
72.21204	0.6
82.93497	0.6
84.22765	0.6
93.68835	0.7
96.07209	0.6
98.98485	4.2
143.69174	0.6
173.66890	0.6
329.20883	100.0
330.21170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48447	0.4
55.05520	2.7
56.05033	3.4
57.07083	0.9
60.04532	12.5
60.62020	0.4
62.62154	0.4
64.17475	0.5
67.05515	3.4
68.05009	0.7
68.68863	0.4
69.07069	3.0
71.05003	0.7
71.08636	0.6
71.56989	0.7
71.59745	0.4
72.04527	1.8
74.06084	100.0
79.05508	2.6
81.07061	3.5
83.08627	1.3
84.08121	0.5
86.06071	1.0
91.05491	1.5
91.38403	0.4
93.07038	2.1
94.06597	0.8
95.04975	0.4
95.08614	3.0
96.08086	0.4
97.06536	0.6
97.10177	0.6
98.98473	32.7
100.05700	0.5
105.07027	0.8
107.08622	1.5
108.08170	0.5
109.10181	1.1
119.08578	0.7
121.10141	1.7
125.33871	0.4
130.08702	0.5
133.10159	0.5
172.94392	0.7
174.99254	3.5
176.98886	0.7
190.95525	0.5
232.96564	0.9
252.99982	0.5
262.25439	0.6
280.26462	1.6
292.26462	1.3
298.27496	0.6
310.27548	1.6
312.31146	0.4
328.22903	0.5
328.28741	10.7
328.32230	1.9
329.06982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.2
56.96577	2.3
56.96825	0.5
57.03441	1.0
57.07070	0.8
67.05508	5.2
69.03434	0.6
69.07059	2.2
70.98143	0.6
71.04991	0.5
71.08650	0.4
71.57003	0.5
79.05508	2.9
81.03439	0.5
81.07060	4.5
82.00316	0.5
83.04990	1.4
83.08613	2.2
84.08965	0.7
85.06549	0.8
85.10188	0.6
91.05486	2.5
93.07040	3.5
94.07368	0.4
95.04983	1.8
95.08616	4.4
97.06541	1.5
97.10173	2.0
98.10491	0.5
98.98472	100.0
100.98895	1.0
101.71668	0.4
105.07034	2.0
107.08611	3.4
108.08951	1.0
109.06539	1.0
109.10170	2.7
111.08064	0.8
113.09664	1.7
113.27473	0.4
116.99513	1.8
117.07029	0.8
119.08591	2.5
120.01842	0.4
121.06555	0.5
121.10139	3.7
123.08112	0.7
123.11732	0.4
125.09629	3.2
126.09993	0.5
129.96846	0.4
131.08583	1.4
133.10100	2.6
135.08073	0.9
135.11714	1.3
137.09634	1.0
139.11221	1.2
140.01100	0.8
143.08557	0.7
145.10156	0.9
147.08121	0.5
147.11742	0.6
149.09607	1.8
151.11198	0.5
153.43198	0.4
157.10143	1.3
159.11708	1.2
161.09666	0.5
167.10667	1.2
169.10193	0.5
171.11691	0.7
173.11786	0.6
173.13254	0.6
174.99242	9.8
176.98935	4.7
178.71249	0.5
187.11266	0.5
189.11278	2.2
190.11566	0.9
199.14955	0.5
209.09958	0.4
211.11247	0.4
222.07109	0.6
229.07561	0.5
237.00632	0.7
243.09116	0.9
244.09557	0.5
251.00111	0.6
252.99765	2.0
254.40332	0.4
257.19019	0.7
258.19507	0.6
265.11200	0.7
269.10632	0.8
275.20093	1.6
276.20486	3.0
283.12274	1.2
285.39035	0.4
293.21167	2.6
329.17258	82.2
330.17563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01863	6.0
55.05269	1.9
55.05516	33.3
57.03432	7.2
57.07064	3.1
57.71323	1.8
59.05002	2.0
65.03927	1.8
67.05505	72.0
69.03416	2.8
69.07071	34.1
69.56683	3.6
69.57095	7.8
70.06596	3.2
71.04987	5.4
79.05493	40.0
81.03434	5.0
81.07057	100.0
83.04971	8.6
83.08620	24.7
85.06548	2.6
90.89005	1.5
91.05480	31.4
93.07050	39.3
95.04975	6.0
95.08610	36.7
96.08159	1.9
97.06548	12.5
97.08950	1.9
97.10163	17.3
98.98469	97.2
99.08095	3.8
105.07040	29.5
107.04993	4.0
107.07874	2.6
107.08598	37.5
107.40682	1.8
109.06499	9.2
109.10163	36.1
110.09683	2.7
111.08109	5.1
117.07001	11.5
119.08588	23.7
121.06536	3.6
121.10139	15.5
123.08054	5.9
123.11717	7.5
125.09642	11.5
131.08574	11.9
133.06595	1.6
133.10146	26.7
135.08051	5.1
135.11708	10.7
137.09660	3.8
139.11162	3.3
143.08682	2.4
145.10149	10.7
147.11699	16.5
149.09639	10.2
149.13272	19.0
151.11194	3.1
155.10635	10.6
157.10172	2.5
159.11714	16.3
161.09619	1.7
161.13300	6.8
163.11218	6.7
171.11714	2.0
172.94334	2.4
173.11766	38.7
173.13271	5.3
174.99165	7.8
175.11322	3.0
176.98958	3.2
177.12766	8.9
183.11710	3.0
185.13277	1.6
189.11214	17.6
195.13812	46.5
213.14795	19.5
216.64091	1.5
217.38829	1.8
223.13312	1.7
229.19678	3.3
232.96394	1.8
239.17920	3.9
254.23091	9.6
257.19003	10.7
265.21582	2.2
275.20062	75.2
293.21088	23.0
328.20206	2.9
328.27054	54.2
333.45645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
50.59241	0.2
51.57841	0.3
52.08198	0.2
53.03935	0.5
55.01850	0.3
55.05518	1.8
56.05033	2.4
56.96544	0.4
57.03416	1.0
57.07081	11.7
58.06573	0.4
60.04530	13.4
65.03923	0.3
67.05508	3.9
67.21678	0.3
68.05021	1.4
69.03410	0.7
69.07072	1.7
70.05412	1.1
70.06596	2.4
71.04965	1.1
72.04153	0.3
72.04516	4.1
73.02884	0.3
74.06064	0.6
77.76593	0.2
79.05495	4.6
80.05023	6.0
81.03423	0.4
81.07063	6.4
82.32368	0.4
83.04955	0.8
83.08591	0.9
84.04519	2.8
84.08118	1.0
85.02873	0.6
85.06551	8.4
86.06073	1.4
87.04441	0.3
90.05526	0.6
91.05482	4.5
93.05769	0.3
93.07046	4.2
94.06041	0.3
94.06568	4.5
95.04935	0.9
95.08073	0.3
95.08616	3.8
96.04465	1.0
96.08122	1.5
96.08923	0.2
97.06525	0.7
97.10137	0.4
98.06076	2.9
98.20777	0.4
98.98470	21.7
100.07613	0.6
102.05503	0.4
105.07034	1.5
106.06519	0.8
107.04938	0.4
107.08601	2.5
108.08051	0.7
109.10175	1.6
110.06065	2.0
110.09626	0.8
110.10390	0.3
111.07996	0.3
112.07574	1.1
113.09625	0.8
114.05494	0.9
116.07049	0.7
116.99435	0.4
117.06991	1.2
119.08594	4.2
120.08116	2.1
121.06445	0.4
121.10150	2.1
123.08062	0.3
124.07602	0.7
128.07053	0.6
129.06979	0.5
130.93246	0.4
131.08545	1.1
132.05760	0.3
132.06560	3.2
132.08040	0.6
133.10144	1.3
134.09616	1.2
134.34526	0.3
135.11676	1.5
136.11186	1.0
137.09615	0.4
142.08609	0.4
145.08955	0.3
145.10075	0.8
146.09666	0.3
147.04398	0.3
147.11676	0.7
148.11128	0.5
152.10623	0.3
153.12704	0.3
157.10048	0.4
159.11597	0.5
163.14766	0.3
172.94333	0.6
174.12732	0.8
174.99255	2.0
175.99533	0.5
176.98895	1.1
190.95395	0.8
191.17879	0.5
201.16354	0.4
203.18037	0.5
214.95413	0.3
218.18918	0.5
224.20148	1.3
232.96396	1.0
236.20085	4.1
238.21655	0.3
250.21600	0.3
250.97481	0.4
250.99937	0.5
254.21051	8.0
254.23161	1.1
262.21600	0.9
264.23111	0.6
266.21201	0.3
274.21555	3.0
280.22421	0.4
283.03333	0.3
292.22739	5.7
310.20471	0.4
310.23749	6.8
328.24698	100.0
329.24887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.15958	0.8
55.01860	3.9
55.05510	10.0
56.96565	4.1
57.03430	2.2
57.07074	1.4
62.50886	0.8
67.05502	21.3
69.07066	11.5
69.65826	5.6
71.04987	1.7
79.05490	17.5
81.03413	2.1
81.07057	49.5
83.04990	4.4
83.08615	7.4
85.06519	1.8
91.05470	11.5
93.06480	1.1
93.07045	15.7
93.95984	0.8
95.04969	6.7
95.08601	16.3
97.06516	5.7
97.10145	2.1
98.98466	100.0
99.08078	3.4
105.07031	15.6
107.04961	7.5
107.08588	11.7
109.06519	12.4
109.10167	8.4
111.08077	2.8
113.05953	1.3
115.90189	0.8
116.99480	1.7
117.07023	4.7
119.08585	15.0
121.06493	3.1
121.10133	7.0
123.08073	5.3
123.11678	3.5
125.09613	4.0
127.07524	1.1
129.07005	1.6
130.77287	0.9
130.93307	2.8
131.08563	6.7
133.10130	14.1
135.08066	5.8
135.11725	4.1
137.09584	3.5
139.11115	0.9
143.08527	1.7
145.10126	7.2
147.11700	9.0
149.09616	4.5
149.13232	3.8
151.11179	2.2
155.08682	0.9
157.10136	3.0
159.11679	5.9
161.09583	1.8
161.13257	2.7
163.11224	5.6
163.14804	1.3
165.12723	2.4
171.11691	2.2
172.94351	7.0
173.11807	1.1
173.13232	2.1
174.99249	9.8
175.11163	2.4
175.99565	1.0
176.98904	3.2
177.12756	2.9
179.14307	1.3
183.11732	1.1
189.11182	1.3
190.95415	7.3
193.12222	2.8
193.16048	1.2
195.13820	1.8
197.13280	1.0
199.06235	1.3
207.13838	0.9
208.96443	2.0
213.97031	1.2
214.95381	2.7
215.14195	1.1
215.17856	0.9
219.13774	1.0
223.00636	1.1
223.13179	2.0
229.19536	2.6
232.96469	10.1
233.96809	1.0
239.17786	2.0
247.20624	2.1
250.97607	4.6
250.99792	1.1
252.99713	1.4
255.98024	1.4
257.19040	6.9
262.93896	1.5
265.17926	1.7
275.20059	54.2
291.19604	1.6
293.17770	1.8
293.21097	28.8
311.18405	1.6
328.26688	11.7
347.15192	3.2
349.16806	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07886	4.1
53.03937	8.8
53.53091	4.7
54.55745	4.0
55.01873	5.4
55.05507	37.4
57.03432	6.5
67.05174	6.9
67.05505	100.0
69.03425	5.5
69.07071	23.5
69.65849	32.4
71.04981	10.9
79.05069	6.0
79.05495	76.1
81.03395	7.4
81.06665	5.5
81.07063	62.8
83.04978	10.8
83.08616	17.7
85.06526	9.3
91.05478	53.2
93.07040	67.8
95.04977	23.3
95.08621	43.2
95.13821	4.9
97.06518	7.7
97.10146	15.0
98.20777	5.4
98.98473	55.0
105.07023	45.3
107.08588	49.0
109.06512	9.2
109.10144	47.0
111.08051	4.9
113.84077	5.1
117.06977	11.7
119.08572	27.6
121.10145	41.2
121.59077	5.0
123.08080	5.6
125.09618	15.2
131.08574	22.0
133.10123	30.6
135.08006	7.6
135.11658	6.9
137.09607	28.2
139.11191	5.4
145.10077	19.4
147.11694	12.5
149.13200	4.7
155.10646	16.6
159.11745	8.9
161.13263	7.1
163.11186	5.1
171.11778	7.6
173.11769	26.0
173.13100	6.3
174.99298	6.4
181.12140	7.2
189.11197	9.0
257.18982	5.1
275.20090	37.0
345.12598	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34958	1.8
52.60139	2.2
55.01866	5.9
55.05514	61.8
57.03437	2.7
59.04990	1.8
60.86399	1.9
60.93002	1.9
67.05509	15.7
69.03416	8.0
69.07068	17.1
69.87281	8.4
79.05492	24.1
81.07054	16.2
83.04973	6.5
83.08624	39.4
91.05488	11.3
91.05932	1.7
93.07050	13.0
95.08595	8.3
96.41464	2.0
97.10175	78.6
98.98460	5.5
105.07040	12.3
107.08601	90.5
109.06474	2.5
109.10188	3.8
109.47708	2.3
117.07033	3.0
119.08554	4.4
121.10110	3.7
123.80791	1.9
125.09631	76.2
131.08557	3.4
133.10095	8.0
135.08047	5.3
143.10748	3.5
145.10129	6.0
147.11678	6.5
149.09618	4.6
153.09048	3.5
157.10201	2.1
159.11697	2.3
161.13289	2.5
170.11725	1.8
171.10173	29.3
173.13242	1.9
181.12137	4.7
189.11226	100.0
219.16351	1.9
239.17978	5.6
257.18982	9.9
275.20081	97.8
293.21155	10.6
302.41888	2.2
339.90378	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	328.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.6
56.05029	1.9
56.96564	2.5
57.03435	1.3
57.07093	0.6
60.04520	2.5
61.02930	0.7
64.65749	0.6
67.05505	1.1
69.03426	2.5
69.07065	2.6
70.06593	39.4
71.04988	0.7
71.56501	0.9
72.08157	64.4
73.02922	1.1
73.06557	21.2
74.06084	0.8
79.05506	1.0
80.05045	0.7
81.07052	1.5
83.05000	0.7
84.04502	1.5
84.08150	3.2
85.02899	3.3
86.09708	67.7
87.10024	0.8
88.04003	1.2
91.05486	2.5
93.07043	1.4
94.06622	0.6
94.07441	0.7
95.04990	1.1
96.08132	1.3
97.02901	1.5
97.06534	1.1
97.08403	1.0
98.09190	0.6
98.98470	85.6
99.05602	0.8
103.05457	0.7
107.08543	0.6
110.07171	1.2
110.09692	2.4
110.97610	1.0
111.10042	0.8
111.33578	0.5
116.07096	100.0
116.98664	1.3
116.99516	2.0
118.06241	0.6
120.08092	2.0
121.06490	1.6
125.06038	1.2
127.03933	0.7
129.10298	1.4
131.10699	1.0
141.10204	0.8
143.11864	0.7
147.04442	1.7
148.07605	1.6
149.11740	6.6
158.99648	0.7
159.11566	0.6
165.05533	0.7
166.08687	2.2
170.99747	0.7
172.94473	1.0
174.99219	9.2
175.99680	1.5
176.98973	3.3
177.00528	0.6
177.05463	1.1
179.16254	0.6
185.16501	36.6
186.11290	0.6
190.95456	0.8
195.11298	1.2
201.12411	2.7
204.06615	1.2
205.12187	0.8
209.20920	0.8
213.07059	0.9
213.15990	23.5
214.37331	0.6
215.14008	1.2
219.05356	0.8
224.22014	1.1
229.11844	0.8
229.15515	2.8
232.96564	1.7
236.22409	0.6
237.06578	0.7
237.20378	1.1
239.13925	0.6
250.97554	0.7
251.00070	1.1
251.22110	1.3
252.99712	1.1
253.22841	1.6
254.23126	6.3
262.23660	2.0
274.23706	0.9
293.09225	0.9
296.18875	0.7
310.16608	0.7
310.20261	0.6
328.14169	1.1
328.17648	3.6
328.21173	2.3
328.26794	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	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
56.96569	1.2
57.03439	1.7
59.05005	25.8
59.16152	0.6
59.80584	0.6
60.04527	1.3
61.02927	1.7
69.03429	2.2
69.07076	0.9
70.00883	2.7
70.06594	6.1
71.05046	0.6
72.08156	5.4
73.02886	0.8
73.06559	100.0
81.03431	1.0
84.08150	1.0
85.02913	8.5
86.09711	9.0
91.03950	0.7
97.02908	2.2
98.98472	45.3
110.09663	0.8
116.07086	7.7
117.09121	5.4
120.08122	1.7
127.03916	1.1
131.10678	10.4
145.05000	1.0
147.04544	0.7
148.07574	3.2
149.11740	51.9
166.08713	0.9
172.94382	0.7
174.99216	4.4
175.06360	0.8
175.12315	0.8
175.99574	1.3
176.98924	2.5
185.16530	3.6
191.19891	0.6
213.16107	1.6
245.07719	0.7
253.22615	0.8
254.23184	2.0
263.74585	0.6
310.14716	1.0
328.26801	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	328.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16511	0.2
60.04564	0.2
67.05489	0.2
70.06596	9.4
82.06586	0.5
83.07381	0.3
84.08125	0.2
93.07053	0.2
94.06590	0.3
96.08132	2.0
98.97552	0.2
98.97823	0.3
98.98473	4.6
100.07624	38.8
128.07088	100.0
129.07420	0.4
174.99312	0.6
179.43407	0.2
224.22125	0.2
254.23062	0.5
261.81015	0.2
268.19275	0.4
268.61792	0.2
282.20703	0.7
328.21158	10.1
328.26666	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84299	0.3
55.01872	0.8
55.05507	4.0
57.03433	1.3
57.07067	1.6
59.04991	0.6
60.04533	2.3
67.05504	5.3
69.03416	0.9
69.07072	9.9
70.06596	0.9
71.04985	1.5
71.08632	1.3
71.57159	0.4
79.05486	3.9
80.05016	0.9
81.03407	1.1
81.07058	18.3
82.06581	1.1
82.23511	0.4
83.04974	1.0
83.08615	3.4
84.08135	1.1
85.06535	2.7
86.85845	0.4
91.05479	2.5
93.07040	6.0
94.06571	2.0
95.04967	1.4
95.08610	12.0
95.76716	0.3
96.08141	1.3
97.06541	2.9
97.08916	3.3
97.10173	1.4
98.09695	0.9
98.98469	100.0
99.08100	2.4
105.07037	2.8
107.04956	0.8
107.08603	6.5
108.08123	0.7
109.06536	0.9
109.10160	7.1
110.09683	4.5
111.08070	3.2
111.11706	1.8
113.09638	0.7
115.07552	0.4
116.07112	0.5
116.99496	1.6
117.07026	0.3
119.08594	2.2
120.08111	0.7
121.06513	0.3
121.10151	3.8
123.04367	0.5
123.08043	0.5
123.11730	5.1
124.11275	0.7
125.09647	0.8
125.13208	0.5
131.08585	0.5
133.06468	0.7
133.10124	1.1
135.11717	2.4
137.05951	0.8
137.09627	0.8
137.13211	3.1
139.11229	0.7
140.01157	0.5
143.08621	0.6
147.04353	1.1
147.11647	1.9
149.13235	2.5
153.12761	1.7
155.14284	1.0
161.09680	0.5
161.13254	0.7
163.14836	0.8
165.09108	0.7
165.12790	1.1
167.14377	0.4
170.54500	0.4
171.13777	0.5
172.94539	0.5
174.99234	12.1
176.14433	0.4
177.16412	0.9
178.15968	1.8
189.16533	0.4
191.17961	0.6
192.17491	0.6
194.19157	0.4
200.07898	0.3
205.19626	0.4
208.20616	1.4
215.29858	0.3
217.19514	0.5
220.20706	0.5
221.15411	0.6
223.21761	0.9
224.20067	0.6
232.96532	1.1
236.20120	1.3
237.23260	0.4
238.21693	1.5
250.21671	2.0
250.97539	0.5
250.99994	3.3
253.22766	9.7
261.23224	3.0
261.25735	0.5
273.18524	1.2
273.23224	1.5
279.24438	0.6
280.95001	0.4
285.10126	1.0
286.74103	0.4
291.19589	1.8
291.24106	0.7
291.26791	1.1
309.20432	0.8
309.24908	0.6
309.28067	1.1
327.26428	76.7
328.26978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
56.05028	0.7
59.78963	0.2
60.04534	2.8
62.41445	0.2
67.05502	0.6
69.07078	0.2
70.06586	0.7
70.48364	0.6
72.04503	0.3
79.05489	0.5
80.05014	0.6
81.07037	0.7
82.06577	0.9
83.07368	0.4
84.08151	1.4
91.05482	0.3
93.05787	0.3
93.07043	0.4
94.06579	2.0
95.08611	0.7
96.08131	2.3
97.08913	3.6
98.09703	0.8
98.98473	12.9
107.08563	0.2
108.08123	0.5
110.09003	0.4
110.09691	4.9
120.08115	0.4
122.09677	0.4
123.10415	0.3
124.11231	0.9
134.09648	0.6
136.11272	0.5
138.12793	0.4
150.12791	0.3
152.14352	0.4
174.99236	2.0
176.14337	0.5
178.15907	2.4
180.17418	0.3
192.17470	0.4
193.81622	0.2
194.19058	0.7
206.19031	0.2
208.20647	1.9
218.19054	0.8
220.20621	0.9
222.22191	0.5
223.21765	1.7
224.20123	0.9
234.22357	0.2
235.21606	0.3
236.20068	1.6
237.23170	0.3
238.21661	2.3
249.23373	0.2
250.21764	2.1
250.99994	0.4
251.24872	0.3
253.22762	14.7
254.22974	0.2
260.40952	0.2
261.23260	4.2
262.21564	0.2
263.24750	0.3
268.22742	0.4
273.23303	2.0
279.24374	0.8
291.24316	0.7
309.25381	1.0
327.26431	100.0
328.26733	1.2
331.05698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05512	3.2
56.05040	0.8
56.96579	0.9
57.03429	0.8
57.07067	1.6
60.04521	2.8
63.70654	0.4
65.03977	0.4
67.05509	4.3
68.05046	0.4
69.03419	1.1
69.07072	9.1
69.42545	2.2
69.42951	0.9
70.06590	1.7
71.04987	3.0
71.08641	1.0
77.01571	0.4
79.05494	3.4
79.45657	0.4
80.05018	1.1
81.03425	1.2
81.07059	15.8
81.33350	0.4
82.06591	1.0
83.04978	0.9
83.08648	2.4
84.08146	1.3
85.02911	0.8
85.06554	2.7
91.05489	1.7
91.91815	0.4
93.07049	4.4
94.06577	2.6
95.04978	0.7
95.08615	10.1
96.08109	2.1
97.06537	2.1
97.08926	3.7
97.09467	0.6
97.10151	1.9
98.09692	0.6
98.98471	100.0
99.08099	1.3
105.07037	2.1
107.04954	0.7
107.08601	4.8
108.08140	0.7
108.08920	0.6
109.06504	0.6
109.10159	5.1
110.09687	5.4
111.08099	2.7
111.11707	1.1
113.09659	1.2
114.10030	0.8
116.07118	0.9
116.99506	1.4
117.26651	0.4
119.08580	1.6
121.10122	2.5
123.08078	1.3
123.11717	4.0
124.11210	0.7
125.09618	0.6
133.06474	0.6
133.10107	1.0
134.09634	0.4
135.11713	1.5
136.11292	0.4
137.06000	1.4
137.09595	1.0
137.13289	2.7
138.12798	0.6
139.01649	0.4
145.10114	0.7
147.04448	1.0
147.11711	2.0
149.13266	1.9
153.12753	1.2
155.14328	1.3
158.60838	0.4
161.13245	0.8
163.14861	0.9
165.09186	1.0
165.12764	1.3
166.15927	0.7
174.99234	16.6
176.14302	0.6
177.16414	0.8
178.15941	1.6
180.17522	0.4
191.17950	0.5
192.17485	0.7
194.10721	0.5
203.11101	0.7
206.18903	0.4
208.20616	1.5
218.19038	0.6
223.21616	2.1
232.96558	0.4
236.20218	1.4
238.21718	1.8
249.23216	0.5
250.21709	2.3
250.99921	2.4
253.22772	12.0
255.76785	0.5
261.23203	3.6
268.22745	0.9
271.09787	0.8
273.23276	1.8
273.25974	0.8
274.21732	0.5
279.24149	0.7
291.19696	2.0
291.23773	0.9
291.26907	1.3
295.20905	0.5
309.24936	0.6
309.28033	0.6
327.26434	89.7
328.16489	0.8
328.26703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14309	0.5
53.03934	0.5
53.28252	0.3
55.05515	4.9
56.96569	0.5
57.03428	1.6
57.07074	2.6
60.04521	0.8
67.05170	0.7
67.05500	8.5
69.03407	0.5
69.07075	7.6
71.04998	1.0
71.08617	1.1
71.56627	0.5
74.06087	2.1
77.01595	0.5
79.05489	3.6
81.07056	11.2
83.04984	1.1
83.08627	4.3
85.06533	0.9
91.05500	3.3
93.07044	4.6
95.04968	0.7
95.08054	0.7
95.08613	9.4
97.06518	1.4
97.08910	0.5
97.10168	2.6
98.98467	100.0
99.08090	1.2
103.03959	0.4
105.07060	2.4
107.08591	3.2
109.10155	4.6
110.09704	0.7
111.08070	0.7
111.11700	0.5
113.09631	0.9
116.99506	1.9
119.08599	2.9
121.10139	3.5
123.08038	0.7
123.11717	1.8
125.09608	0.7
130.93158	0.4
131.08572	0.9
133.10158	2.8
135.11693	3.2
137.05975	1.8
137.09645	1.2
137.13251	1.4
139.11174	0.5
140.01082	0.9
143.08542	0.5
145.10123	0.8
147.11693	1.9
149.13274	0.5
151.11237	0.5
151.14856	0.8
157.10117	0.7
159.11638	0.6
161.13252	2.1
165.12726	0.7
174.99228	15.2
175.14851	0.8
189.16402	0.6
193.12262	2.5
217.19542	5.0
218.71892	0.5
223.21611	0.4
232.96452	0.9
235.20573	3.5
235.22667	0.5
251.00090	2.8
253.22862	2.5
261.23273	0.5
277.18317	0.8
277.21671	2.3
291.19684	1.0
291.23425	0.4
295.22684	1.7
309.24161	2.1
327.26260	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	327.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05040	0.6
57.03423	0.1
57.68882	0.1
58.06590	0.1
60.04526	3.1
65.22683	0.1
67.05509	0.5
68.05017	0.2
69.03430	0.2
69.03773	0.1
69.07064	0.2
69.54098	0.3
69.54520	0.4
70.06594	0.7
70.56692	0.1
72.04501	0.4
79.05479	0.5
80.05019	0.8
81.07059	0.8
82.06579	0.7
84.08146	1.2
90.05538	0.2
91.05465	0.2
93.05785	0.1
93.07045	0.6
94.06567	2.2
95.08639	0.6
96.08122	1.1
97.08911	3.9
98.09720	0.6
98.98468	1.4
103.57819	0.1
105.07038	0.2
106.06537	0.3
107.08577	0.3
108.08113	0.3
109.10148	0.2
110.09680	4.8
111.10462	0.2
112.46717	0.1
119.08554	0.2
120.08123	0.5
121.10126	0.2
122.09636	0.4
123.10446	0.3
124.11243	0.7
133.10133	0.2
134.09665	0.4
136.11243	0.5
138.12747	0.4
146.09689	0.1
148.11162	0.2
150.12775	0.4
152.14351	0.2
164.14348	0.3
166.15906	0.3
174.12798	0.1
174.99190	0.2
176.14328	0.7
178.15892	1.2
180.17471	0.3
190.15878	0.1
192.17415	0.5
194.19060	0.4
204.17560	0.3
206.19054	0.2
208.20604	0.9
210.18550	0.2
216.17499	0.2
218.19003	0.3
220.20604	0.3
221.20154	0.3
222.22264	0.5
223.21675	1.6
224.20103	0.5
232.20596	0.2
235.21660	0.3
236.20073	0.5
237.23279	0.2
238.21666	2.7
244.20528	0.2
246.22099	0.1
247.21680	0.2
248.20114	0.1
249.23196	0.4
250.21672	2.6
251.24719	0.5
253.22765	3.1
256.20728	0.2
261.23257	5.2
262.21689	0.3
263.24808	0.3
264.23227	0.2
266.21213	0.1
268.22672	0.6
271.21600	0.1
273.23218	1.8
274.21674	0.3
277.22595	0.1
279.24249	0.6
280.22855	0.1
289.22748	0.1
291.24277	0.7
309.25388	1.0
327.26404	100.0
328.26846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
55.05520	5.7
57.03432	0.9
57.07080	1.6
64.32717	0.7
67.05511	7.5
69.03411	0.9
69.07093	3.7
71.04968	0.9
71.08633	6.3
71.56818	0.7
71.57375	1.2
71.75805	0.8
73.14222	0.7
75.89385	0.7
79.05490	3.5
79.85516	0.8
81.07063	9.0
83.04956	1.5
83.08637	3.7
84.96037	1.6
85.10193	1.8
91.05494	4.5
93.07057	5.2
95.04967	2.3
95.08620	5.9
97.06534	4.3
98.98474	100.0
99.08126	4.3
105.07060	3.7
107.04948	0.9
107.08588	3.3
108.42908	0.8
109.06493	1.1
109.10143	1.9
111.08092	6.0
113.09631	3.5
116.99474	1.6
119.08578	3.0
121.06531	1.1
121.10113	3.7
123.08073	1.3
123.11700	0.8
129.06935	0.7
131.08614	1.2
133.10156	2.7
135.11693	2.5
137.00934	1.0
137.09636	1.0
140.40427	0.7
145.10112	1.7
147.11694	3.5
149.09608	1.5
149.13261	3.3
151.11180	2.9
153.00385	4.3
154.00345	1.8
155.01909	4.2
156.01938	0.9
157.10164	1.2
159.11633	1.4
161.13226	2.5
163.11166	1.9
165.12761	6.2
167.14270	0.8
170.52039	0.9
171.01433	15.7
171.11693	0.8
172.01373	4.4
174.99248	14.7
175.11156	0.9
175.14847	1.3
179.14336	2.3
221.10268	1.3
222.10429	0.9
237.09767	2.4
238.09853	1.8
241.19623	0.8
242.20088	0.8
251.00064	2.1
259.20645	3.5
266.87140	0.9
277.21643	18.9
281.10739	1.7
295.22092	7.5
299.11716	1.2
303.17844	0.8
304.18259	7.4
309.24155	3.4
327.07834	1.0
327.18118	17.0
327.26553	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	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26116	1.2
53.03951	2.2
55.01863	2.0
55.05514	8.3
57.03437	3.8
57.07069	3.1
58.45053	1.4
67.05508	20.2
69.07069	11.2
69.27602	1.2
71.05001	3.0
71.08345	1.2
71.08638	13.0
71.57086	2.3
79.05510	13.7
81.03420	6.6
81.07069	18.6
83.04965	4.6
83.08612	3.4
85.02888	1.6
85.06536	2.4
91.05483	13.0
93.07062	25.6
95.04987	20.0
95.08616	24.9
97.06535	7.9
97.10168	2.4
98.98475	100.0
99.08105	8.9
105.07037	16.1
107.08585	13.8
109.06515	4.1
109.10151	12.8
112.70287	1.2
116.99538	1.5
117.07001	4.4
119.08600	14.5
121.06534	3.1
121.10159	10.7
123.08059	2.7
123.11684	2.4
129.07013	2.4
130.07793	2.0
131.08562	4.9
133.10129	12.0
135.11702	5.2
137.09645	7.4
139.11189	3.1
143.08548	3.5
145.10141	7.6
147.11708	4.2
149.13217	2.9
151.11197	11.2
153.12675	1.5
157.10176	3.7
159.11714	7.8
161.09657	3.2
161.13245	2.2
165.12762	2.0
169.10097	2.7
171.11659	3.1
173.13300	2.8
174.99232	15.9
175.14772	3.1
179.14316	2.7
182.10846	1.6
183.11734	2.4
185.13246	3.1
187.11229	1.6
187.14734	2.3
197.13373	2.6
209.13136	1.2
221.15324	3.6
250.99965	2.6
253.22794	2.5
277.18787	2.6
277.21661	36.7
295.22705	91.9
309.24237	5.5
327.07797	1.6
327.22989	2.9
327.26413	7.3
335.44705	1.5
341.91226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03960	1.1
55.01866	2.5
55.05515	9.3
57.03434	3.2
57.07087	3.5
60.04519	2.4
65.66595	0.7
66.07491	0.7
67.05505	9.1
68.25979	0.6
69.03426	2.3
69.07073	11.8
71.04997	5.8
71.08620	1.9
71.42712	1.3
73.22350	0.6
75.35261	0.6
79.05498	5.9
81.07057	8.6
82.07406	0.8
83.04996	1.4
83.08627	5.0
85.10226	0.7
89.06036	0.9
91.05477	9.7
93.07044	19.7
95.04974	15.3
95.08611	28.0
96.08917	0.9
97.06528	2.7
97.10191	2.9
98.98470	100.0
105.07028	20.3
107.08598	17.9
107.09304	1.3
109.06534	4.2
109.10191	3.7
111.11735	1.8
113.09738	0.7
115.05452	1.6
116.99531	1.3
117.07035	8.8
119.08575	8.1
121.06534	3.9
121.10155	6.7
123.08061	5.3
123.11725	1.8
125.09658	0.9
128.06264	0.9
129.06982	0.8
130.07817	4.5
130.08626	0.8
131.08545	2.9
133.10152	4.5
135.08057	13.6
135.11693	5.6
137.09633	1.3
140.01070	1.3
143.08549	3.2
145.10126	23.7
147.08017	1.1
147.11699	3.0
149.09593	3.3
150.35562	0.8
157.10085	2.3
159.11719	3.1
161.09688	1.5
161.13289	1.7
163.11200	19.3
165.12787	3.2
171.11620	1.2
173.09573	1.0
173.13258	1.9
174.99254	15.8
175.14819	1.6
177.12827	0.9
185.13208	0.8
187.11263	1.6
187.14954	0.8
189.16498	1.3
191.14325	6.7
193.15932	2.7
195.11612	0.7
197.13251	0.8
199.14845	1.0
201.12669	0.7
205.15884	11.7
217.15955	2.8
247.16901	2.2
251.00108	2.7
253.22852	1.7
255.17397	0.8
265.97690	0.7
270.19836	2.3
277.25168	0.8
281.22546	1.0
285.26291	1.5
295.26437	1.4
309.21866	2.2
327.07928	1.1
327.23193	36.4
327.26932	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01861	1.8
55.05513	8.3
57.03419	3.2
57.07065	4.8
58.39065	1.1
65.03942	1.1
67.05501	13.7
69.07069	8.2
70.18035	1.2
70.81673	3.8
71.08611	1.5
71.63944	1.2
73.90857	1.0
75.74744	1.1
79.05481	9.8
81.03395	1.2
81.07050	15.9
83.04966	1.6
83.08598	2.0
85.06536	3.1
91.05479	16.0
93.06581	0.8
93.07037	36.2
95.04971	31.8
95.08607	25.4
97.06534	8.9
98.98465	100.0
103.05434	1.7
105.04528	1.6
105.07040	26.1
107.04936	1.6
107.08589	18.9
109.06519	6.7
109.10162	11.7
115.05439	1.5
117.06995	8.9
119.08581	29.0
121.06510	7.8
121.10146	15.2
123.08069	4.0
123.11712	3.8
128.06236	3.0
129.06976	3.2
130.07787	2.9
131.08574	12.4
133.06548	1.4
133.10127	24.3
135.08070	5.3
135.11700	5.8
137.09613	3.0
141.06955	2.0
142.07750	6.3
143.08585	7.8
144.09335	3.3
145.10120	18.9
147.08028	1.8
147.11667	6.1
149.09616	1.9
149.13271	2.0
151.11182	2.1
155.08479	3.5
155.18156	1.1
156.09306	2.9
157.10129	14.5
158.10889	2.3
159.08009	2.3
159.11700	18.3
161.09615	6.8
161.13243	2.9
163.11134	1.5
163.14929	1.6
167.08530	2.0
168.09352	1.5
169.10152	5.8
170.10872	1.7
171.11642	5.6
172.12350	1.3
173.09622	1.5
173.13295	5.9
174.99226	17.7
175.14835	9.1
179.08591	2.1
181.10115	1.9
182.10861	1.4
183.11691	5.3
185.09618	1.5
185.13257	4.4
187.11153	4.5
187.14780	7.4
193.10211	1.7
195.11612	2.1
197.13275	5.0
199.14757	4.9
209.13295	5.0
211.14702	2.3
213.16391	2.4
215.14267	2.3
217.15866	3.1
220.12482	1.9
221.13136	1.8
225.16368	2.3
227.14293	1.5
229.16086	1.5
232.96367	1.3
235.14839	3.0
251.00078	2.6
253.15840	1.7
277.21750	1.8
291.21289	1.6
295.22726	7.2
299.11639	1.5
309.22040	3.7
327.23404	6.4
327.26077	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.01859	3.5
55.05514	12.4
57.07080	4.5
59.32041	2.1
65.03954	2.1
67.05515	22.1
69.07076	10.8
69.83068	12.0
70.15979	1.9
71.04998	2.4
79.05497	18.6
81.03430	2.3
81.07057	25.5
83.04990	2.1
83.08610	5.0
85.06551	2.4
89.10016	1.9
91.05481	27.6
93.07051	53.3
95.04976	52.4
95.08611	38.1
97.06538	16.9
98.98473	100.0
103.05512	2.8
105.04519	2.3
105.07037	41.9
107.08598	29.2
109.06519	7.6
109.10161	15.4
115.05470	3.4
116.99522	2.4
117.07030	17.7
119.08595	43.0
121.06528	13.9
121.10144	25.4
123.08070	8.0
123.11685	5.9
128.06218	2.9
129.06996	7.4
130.07799	4.3
131.08582	20.6
133.10135	28.7
135.08087	6.2
135.11668	10.3
137.09599	4.8
141.07030	3.3
142.07828	7.2
143.08577	16.2
144.09349	5.6
145.10135	29.5
147.08012	3.5
147.11684	10.5
149.09604	3.3
149.13263	3.0
152.06219	6.9
153.07034	4.5
155.08594	6.4
156.09297	5.4
157.10117	25.2
158.10922	2.4
159.08110	2.1
159.11711	32.0
161.09631	13.1
161.13223	3.7
163.11159	2.6
167.08627	3.0
169.10144	10.6
170.10826	3.9
171.08058	1.9
171.11748	11.2
173.09663	2.3
173.13248	13.4
174.99205	13.4
175.11230	5.1
175.14774	13.8
179.08559	3.1
180.05807	1.7
181.10071	3.1
182.10980	2.3
182.73833	2.0
183.11713	9.0
184.12454	2.4
185.13261	6.6
187.11165	5.5
187.14841	10.7
189.12785	2.4
189.16428	3.5
193.10220	2.8
194.10867	2.6
197.13220	8.2
199.14838	6.7
207.11711	2.4
209.13272	5.3
211.14825	6.9
213.16321	3.7
215.02577	2.5
215.14372	2.5
217.15891	5.0
220.12560	2.4
221.13167	2.9
223.14876	2.8
225.16476	4.5
227.14360	2.2
229.15878	2.7
233.03624	4.2
235.14807	4.0
239.18033	2.4
249.16452	3.4
251.00003	4.0
251.04659	2.1
253.15846	4.1
265.19733	2.1
286.36737	1.8
291.21063	2.9
309.22189	6.2
327.07736	26.1
327.23059	10.4
327.26486	8.4
334.37082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2167
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.25534	0.3
53.03938	0.8
55.01882	0.6
55.05262	0.5
55.05512	6.6
56.96558	0.9
57.03446	1.9
59.05011	0.6
60.04525	1.2
67.05510	5.5
69.03436	1.3
69.07067	3.1
70.06580	0.5
70.18829	1.1
71.04984	1.2
79.05499	4.7
80.05007	0.5
81.03404	1.8
81.07060	6.8
81.30853	0.3
82.06589	0.6
83.04987	0.9
83.08616	4.0
84.63377	0.4
85.02901	0.6
85.06521	0.5
85.16167	0.4
90.93367	0.4
91.05489	3.2
93.07050	5.8
93.85029	0.4
94.06556	0.8
95.04970	3.0
95.08605	6.0
96.08121	0.8
97.06541	2.2
97.08929	1.8
97.10184	5.7
98.09668	0.4
98.98470	100.0
99.08119	2.3
105.07024	3.1
107.04950	1.2
107.08597	3.3
109.06537	1.5
109.10145	1.7
110.09679	2.9
111.08067	0.8
115.07597	0.6
116.98784	0.4
116.99492	1.9
117.07033	1.0
119.04912	0.4
119.08588	3.1
121.06481	0.6
121.10160	1.5
123.08076	6.5
123.11740	0.8
125.09631	4.6
129.07004	0.7
131.08589	1.3
133.10155	1.4
133.40097	0.4
135.04420	0.4
135.08049	1.1
135.11728	0.6
137.06001	0.5
137.09636	0.9
137.78902	0.4
139.11180	0.5
140.01138	0.8
141.09094	1.4
143.08501	0.5
143.10716	0.4
145.10120	1.3
147.08044	0.5
147.11671	1.2
149.09668	0.8
152.14345	0.5
155.08418	0.4
157.10117	0.6
163.11163	0.6
165.09157	0.8
169.10130	0.6
171.10219	0.9
171.11717	0.5
172.69696	0.4
172.94371	0.7
173.11859	0.5
174.99231	14.9
175.11244	0.8
178.15947	0.9
187.13228	0.6
189.11229	5.8
190.95494	0.6
208.20695	0.7
211.13295	0.9
214.95366	0.4
217.15918	0.6
219.13742	0.7
221.15323	2.2
223.13420	0.7
223.21698	1.0
227.18051	0.5
232.96448	0.9
235.13210	0.5
236.20189	0.5
238.21667	1.1
239.16267	0.4
246.09398	0.4
250.21713	1.1
251.00038	3.3
253.22797	6.0
255.17259	0.5
261.23273	1.9
263.20117	0.7
273.18533	4.4
273.23239	0.6
291.16434	0.6
291.19455	6.1
295.15250	2.6
296.27509	0.4
309.17316	3.0
309.20673	2.7
327.18460	5.5
327.26428	46.0
345.19617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.81564	1.1
55.01862	3.5
55.05262	1.6
55.05512	19.3
57.03431	2.8
60.01594	1.2
66.94548	1.0
67.05510	11.0
68.23591	1.0
69.03422	3.0
69.07076	6.2
69.82181	2.2
69.82593	4.3
71.05001	1.9
79.05492	10.8
81.03420	4.1
81.07062	22.3
81.92023	1.1
83.04974	4.5
83.08636	9.0
91.05476	5.1
93.07047	7.0
94.69533	1.0
95.04955	3.8
95.08597	7.6
97.06550	3.0
97.08876	1.3
97.10182	17.9
98.98470	100.0
99.08085	3.6
105.07020	4.9
107.04942	1.5
107.08592	8.3
109.06510	2.8
109.10145	3.8
110.09695	1.6
111.04440	4.9
111.08096	2.0
117.07024	2.5
119.08572	4.7
121.06455	1.6
121.10146	3.4
123.08096	10.7
125.09644	16.7
128.54050	1.0
129.23941	1.0
131.08592	2.4
133.10156	2.4
135.08061	3.9
135.11694	2.5
137.09624	3.2
139.11208	1.8
143.28218	1.2
145.10114	3.4
147.04488	1.3
147.08023	1.5
147.11678	1.8
149.09669	1.7
149.13310	1.3
153.09077	1.2
153.12712	1.6
157.10127	1.6
163.11174	4.9
165.09100	3.7
169.41267	1.2
171.10252	2.6
174.99251	15.2
189.11227	16.4
191.10651	2.4
193.12280	2.8
208.96416	1.4
209.11894	1.3
211.13226	1.5
213.21652	1.1
227.12762	2.6
245.18965	1.3
250.84268	1.4
251.00090	3.0
253.22752	5.4
261.23413	1.6
273.18555	8.5
273.23047	1.9
291.19553	28.4
309.17377	2.0
309.20560	15.5
311.90460	1.4
327.18176	2.6
327.22443	2.2
327.26422	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	8-(3,3-Dimethylallyl)spatheliachromene
Peak:m/z	Relative Intensity
55.01878	5.7
55.05516	3.2
57.03437	0.8
59.05004	0.5
60.04518	0.5
67.05515	4.5
69.03432	0.8
69.07069	17.5
70.29285	1.2
71.04990	0.7
74.75226	0.3
79.05491	3.0
81.03416	1.7
81.07050	4.2
82.06576	0.3
83.01344	0.5
83.04972	2.3
83.08643	1.9
85.02897	0.6
91.05476	1.8
93.07068	2.1
94.06551	0.4
95.04990	2.6
95.08611	1.5
96.08121	0.6
97.02890	0.4
97.06535	5.2
97.08916	0.7
97.10181	2.6
98.21340	0.4
98.98473	39.8
99.04453	0.5
103.05486	0.4
105.07031	1.5
107.04968	0.9
107.08608	1.6
109.02900	1.1
109.06540	2.5
109.10165	2.3
110.09672	1.1
111.04475	1.5
111.08087	0.7
115.05453	0.4
116.99548	0.6
117.07031	0.9
119.08572	1.1
121.06461	0.5
121.10155	1.0
123.04437	3.6
123.08092	1.5
125.09648	1.9
129.06976	0.4
131.04941	0.9
131.08594	0.8
133.06496	1.0
133.10124	0.6
135.04445	0.4
135.08040	0.6
135.11717	0.8
137.05983	0.8
137.09630	1.6
141.07040	0.5
143.04956	1.0
143.08566	0.5
145.06482	1.7
145.10138	0.6
147.04399	0.6
147.08029	0.5
147.11668	0.5
149.05981	1.0
149.09605	0.5
153.06978	0.5
154.07738	0.5
155.08537	0.6
157.10150	0.5
159.11652	0.4
160.05197	0.6
161.05989	5.4
161.09575	0.4
163.07576	2.2
163.11205	0.5
165.07108	0.5
165.09113	0.3
166.07828	0.4
167.08640	0.7
169.06487	0.7
169.10132	2.0
171.08133	0.4
173.06007	1.7
173.11763	0.4
174.99237	6.4
175.07564	1.6
178.15938	0.6
179.08528	2.8
182.07253	0.8
183.08044	1.1
187.07622	1.4
189.09193	0.5
189.11252	2.4
191.10658	0.4
193.12193	0.6
195.13809	0.4
197.05959	1.0
197.09659	2.3
199.07544	1.3
200.08250	0.5
201.09090	1.5
203.07024	1.0
207.07967	1.8
210.06827	1.1
211.07565	0.7
213.05505	0.9
213.09123	0.5
213.12773	0.5
214.06422	0.4
215.07054	0.7
215.10687	1.8
221.15208	0.4
223.07413	0.5
225.05573	0.7
225.09140	4.4
229.05046	0.3
229.08537	0.8
235.07584	0.4
237.14825	0.3
238.21622	0.3
243.06508	1.2
243.10213	3.8
249.14954	0.5
251.00024	1.1
253.08624	3.7
253.22820	3.5
253.49380	0.3
256.07306	1.1
257.08185	0.5
259.09753	1.8
259.41663	0.4
261.23175	0.5
263.20126	1.1
271.09653	100.0
272.10016	0.9
273.18402	1.7
273.23434	0.3
289.77756	0.4
291.16501	0.6
291.19565	7.0
295.15277	0.6
309.20621	8.7
327.15897	50.8
327.26416	22.7
328.16232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
56.96569	10.0
57.03434	5.4
61.02917	1.2
69.03413	4.6
70.02960	9.7
70.06586	2.3
70.79032	2.6
70.79363	1.2
70.98104	2.4
71.01347	1.9
73.02909	3.2
73.85236	1.3
82.99849	2.4
84.08113	3.5
84.95998	1.4
85.02892	3.3
86.09688	3.3
89.80204	1.1
94.99831	2.8
97.02888	5.8
98.97573	16.2
98.98459	16.5
101.00882	24.5
102.96895	2.8
110.07151	2.2
110.97595	2.5
113.00856	14.8
113.03486	7.3
114.95530	1.8
115.02472	1.5
115.03895	2.1
116.07063	1.2
116.98627	6.6
119.01147	1.7
119.01931	23.8
119.33679	1.1
128.98511	1.6
131.01906	24.2
132.96591	1.3
133.04984	2.4
135.00432	2.7
137.02946	2.6
139.02432	2.1
143.01901	10.8
143.03764	1.2
145.03435	1.8
153.01447	8.8
155.01907	15.1
156.96552	3.0
157.03481	14.4
158.98146	4.8
161.02956	16.4
164.01880	1.5
167.01912	5.0
171.02518	53.7
172.94417	5.8
173.02956	21.7
173.04301	1.8
174.97630	7.0
174.99152	2.7
175.04526	5.1
182.03056	1.5
185.02962	18.7
188.99165	6.8
189.03574	92.9
190.95416	2.1
192.98683	3.4
195.02504	10.3
196.04619	1.3
198.97757	1.3
207.00284	6.7
207.02556	9.9
209.04105	2.4
213.03571	91.4
214.03722	1.3
214.95442	5.0
215.03920	8.5
216.98715	5.2
219.02046	1.9
220.02097	2.1
225.01360	1.7
225.03571	35.0
227.05113	8.3
231.04625	43.4
232.04636	1.7
232.96463	10.7
233.05070	22.8
234.03606	1.8
234.99722	3.8
237.03534	9.2
243.04674	7.9
246.99692	1.6
249.03558	2.5
250.97523	3.4
255.04604	14.5
262.03244	1.5
267.04688	4.6
274.99265	4.1
284.97659	3.1
285.05716	5.1
285.09244	1.7
293.00723	1.4
302.98730	5.2
303.06708	4.1
304.04227	1.4
320.99741	3.6
327.06732	100.0
328.07083	2.4
344.99792	1.5
345.07626	6.3
345.13333	2.3
346.04831	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	326.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40290	2.1
55.05508	17.2
56.72069	2.1
57.03437	4.3
57.07083	3.9
67.05511	42.2
67.83613	2.4
69.07067	13.2
69.43651	2.2
70.34013	5.2
71.04980	2.4
75.46071	2.4
79.05499	28.7
81.07066	37.0
83.08614	12.3
85.06561	2.4
87.23655	2.2
91.05479	9.8
93.07040	30.4
95.08609	25.1
97.10159	10.0
97.19963	2.5
98.98473	100.0
98.99123	5.2
105.07049	8.6
107.08601	25.2
107.66512	2.2
109.10165	25.2
117.07033	4.1
119.08587	8.5
121.10152	17.0
123.11729	4.5
125.09644	8.6
131.08546	5.5
133.10173	5.8
135.08066	4.7
135.11688	13.1
140.67453	2.4
145.10135	5.3
146.95204	2.4
147.11711	6.7
149.13266	8.1
153.09093	4.0
159.11673	4.5
161.13380	4.1
173.11766	5.2
173.13213	2.8
174.99217	13.8
185.13231	3.1
203.12682	6.1
250.99979	3.5
259.20554	5.3
261.92349	2.5
277.21747	12.9
291.23209	7.7
308.29367	2.7
326.27518	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	326.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50600	1.9
53.65790	2.1
54.20044	1.9
55.05511	10.6
57.07073	2.4
59.91014	2.3
60.04520	7.2
60.21203	2.1
63.76292	2.1
67.05514	11.7
69.07069	15.1
71.05015	2.4
71.57026	3.8
79.05497	9.3
81.07072	17.7
83.08632	7.2
84.51188	2.0
88.86197	2.1
91.05488	6.2
93.07074	14.4
95.04951	2.1
95.08624	15.6
97.06544	4.4
97.44807	2.3
98.98475	100.0
105.07052	5.7
106.25232	2.1
107.08598	10.0
109.10159	7.4
119.08605	5.6
121.10155	8.1
123.11673	2.5
125.09669	2.2
131.10445	2.3
133.10168	6.2
135.11694	6.7
145.10255	2.3
147.11728	5.1
149.13275	3.8
174.99226	14.9
193.11107	2.0
217.19524	4.1
251.00056	2.8
252.23296	5.8
277.21616	5.9
284.25925	4.7
299.43509	2.6
326.23090	4.4
326.26926	28.8
326.30603	2.3
326.37839	3.5
327.26636	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	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01873	14.8
55.05504	10.7
57.03436	2.7
64.40535	2.1
65.03936	3.1
67.05179	3.3
67.05508	42.0
69.03408	3.0
69.07073	16.6
69.20250	22.6
71.04984	8.6
79.05502	21.9
81.07061	53.8
83.04990	14.2
83.08613	4.2
85.06543	6.0
91.05492	37.4
91.35671	2.1
93.07050	20.5
95.04977	4.9
95.08613	13.9
97.06551	4.7
97.10165	2.6
98.20746	5.7
98.98476	81.0
98.99130	4.1
99.04472	4.7
99.08093	4.3
105.06382	3.7
105.07037	37.4
107.04930	3.4
107.08594	42.9
109.06529	8.0
109.10161	78.9
111.08093	4.3
113.05986	3.7
117.07028	4.8
119.08594	7.7
121.06496	2.4
121.10122	6.8
123.08069	3.6
123.11729	14.7
125.09618	2.4
127.07584	5.4
131.08603	4.7
133.10133	100.0
133.32442	2.1
135.08081	3.5
135.11725	2.4
143.08566	2.8
145.10139	5.1
149.09648	4.7
151.11183	73.4
152.11610	2.6
161.09590	4.8
169.12274	28.8
171.11728	2.1
174.99232	13.0
177.12851	2.4
179.10703	5.3
215.12798	8.1
245.18976	4.0
251.00044	2.8
263.20071	4.0
273.18530	13.5
291.19553	25.6
309.20450	2.4
325.76154	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	326.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01870	4.3
55.05510	8.1
57.03431	1.6
57.07074	2.5
61.02919	2.2
66.92275	0.9
67.05511	19.4
68.05848	1.1
69.03446	2.4
69.07067	5.9
70.00024	4.7
71.04993	2.8
71.08630	2.2
72.08927	1.5
79.05501	8.5
81.03429	2.3
81.07062	20.6
83.04983	9.2
83.08616	4.3
83.16614	0.9
85.02888	2.8
85.06553	1.9
91.03957	1.2
91.05482	9.5
93.07032	9.3
95.04943	4.5
95.08617	9.2
96.05331	1.4
96.08910	1.3
97.02859	1.9
97.10149	2.4
98.98471	100.0
99.04449	2.7
99.08082	2.2
105.07036	11.1
107.04967	2.6
107.08604	13.0
109.06533	2.2
109.10163	21.0
110.10451	1.4
111.08097	1.9
113.06033	1.6
116.99497	1.2
117.07009	2.5
119.08592	3.2
120.08990	1.0
121.10131	2.9
123.08045	2.8
123.11718	2.7
125.09649	2.4
126.09983	1.1
131.08569	2.4
132.58809	1.2
133.03522	2.0
133.10143	26.9
134.10512	1.3
135.08072	1.6
135.11646	1.8
137.09637	1.3
140.01051	1.7
145.10118	1.8
149.09624	1.6
151.11201	15.9
155.10599	1.1
157.10107	1.6
161.09634	2.0
163.11191	1.1
164.11578	1.3
169.12236	5.3
173.09569	1.0
174.99223	16.4
177.09181	1.0
179.10553	1.3
182.45721	1.0
193.12277	1.2
194.10660	1.1
211.13060	1.0
215.12703	1.6
226.43445	1.0
244.64365	1.6
245.05354	1.1
245.19055	1.3
251.00021	2.1
253.64613	1.2
273.18481	4.3
276.20401	3.8
291.19568	10.0
294.21420	6.1
305.22110	1.1
326.24530	1.5
327.01163	1.5
327.26361	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	326.2324
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
53.03942	0.9
55.01878	3.8
55.05267	0.3
55.05513	4.5
56.05034	1.7
56.96573	0.3
57.03432	1.1
60.04528	16.6
65.03941	0.3
65.64853	0.3
67.05176	0.6
67.05507	7.5
68.04671	0.3
68.05029	4.3
69.03422	2.7
69.07069	2.4
69.27982	2.7
70.06248	0.4
70.06596	6.6
71.04994	4.2
72.04528	1.5
72.08157	0.5
73.02879	0.3
74.06062	0.4
79.05065	0.4
79.05494	5.9
80.05020	4.9
81.03431	3.0
81.07059	9.5
82.06594	2.5
83.04985	3.2
83.08652	2.0
84.04494	0.9
84.08131	1.3
85.02906	2.8
85.06551	3.6
86.06059	1.0
86.09713	0.6
87.04454	0.9
90.05540	0.8
90.95658	0.3
91.03931	0.5
91.05486	5.7
92.05011	0.4
92.05808	0.3
93.07043	6.0
94.06561	4.6
95.04969	1.8
95.08614	5.0
96.04483	1.2
96.08117	1.7
97.02877	1.2
97.06539	5.5
97.08929	0.7
97.10178	1.9
98.06052	2.4
98.09679	0.4
98.20612	0.3
98.97614	0.7
98.98470	16.5
99.08122	0.3
100.07605	0.5
105.04486	0.4
105.07035	2.8
106.06561	1.4
107.04977	0.5
107.08592	3.4
108.08105	0.8
109.06496	0.9
109.10156	1.1
110.06039	2.5
110.09698	1.7
111.08083	4.6
112.07568	0.4
114.05537	3.7
116.07096	5.8
117.07018	1.1
118.06485	0.4
119.04929	0.9
119.08573	3.0
120.08122	2.2
121.06509	0.8
121.10159	1.9
122.06020	0.6
122.09662	0.6
123.08047	0.5
124.07616	0.7
124.11200	0.6
125.09610	1.1
126.09127	0.4
127.03912	0.6
128.07117	0.8
129.07004	1.1
131.08554	2.2
132.05598	0.6
132.06564	7.8
132.08061	0.6
133.02826	0.5
133.10115	2.0
134.09624	1.2
135.04424	0.6
135.08051	0.6
135.11676	0.8
136.07536	0.6
136.11215	0.4
137.05937	0.5
137.09592	1.1
138.09129	0.6
140.07123	0.4
142.08632	0.9
143.08556	0.4
145.02815	0.7
145.04956	1.1
145.10146	0.7
146.09669	0.7
147.04414	3.8
147.11679	1.1
148.04745	0.4
148.11212	0.4
149.09558	0.5
149.13249	0.6
150.09102	0.4
150.12759	0.8
151.11124	0.5
154.08611	1.0
157.10150	0.6
158.08107	2.7
159.11671	0.8
160.11156	0.5
161.13258	0.4
163.03909	5.0
163.12794	0.6
164.04216	0.3
164.63757	0.4
165.05504	0.4
170.08131	0.8
171.11717	0.3
172.09689	5.6
173.13242	0.6
174.12659	0.6
174.99220	2.4
177.12808	0.4
178.15988	0.3
179.14331	0.5
193.12242	1.5
194.15443	0.4
195.13802	2.2
197.64824	0.3
206.15465	0.3
208.17017	0.4
211.13295	2.3
212.57109	0.3
213.14804	2.6
220.16919	0.3
222.18599	0.5
223.21693	0.5
224.08025	0.3
224.16367	0.7
224.20081	0.7
234.14827	0.4
234.18575	0.7
236.16570	0.8
236.19926	0.6
238.17999	0.8
238.21675	0.3
244.16945	0.6
250.21658	0.4
250.99921	0.3
252.19545	2.6
253.22740	1.1
254.04433	0.6
254.17453	0.9
260.20078	1.1
261.23306	0.9
262.17944	0.8
262.21643	1.1
266.21161	0.5
272.20108	1.7
278.20981	0.6
280.19128	3.4
280.22318	0.5
280.64011	0.3
282.16971	2.0
290.21103	4.1
298.16684	0.5
298.20135	4.5
299.71741	0.3
299.90186	0.3
308.18515	2.2
308.22168	4.6
315.60242	0.3
325.24927	0.4
326.19559	25.6
326.23236	100.0
327.26468	15.3
327.29483	0.3
328.26932	1.6
343.25784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03941	4.4
53.19944	2.6
55.01873	3.7
55.05518	24.0
56.96566	5.3
57.03431	7.9
57.07069	8.5
59.04982	3.9
60.04509	3.1
65.03913	2.7
67.05505	34.6
69.03427	11.4
69.07071	100.0
70.86848	6.3
71.04993	8.0
71.08629	3.5
73.02908	2.3
79.05494	19.0
81.03414	9.3
81.07064	86.4
83.04992	7.3
83.08624	17.6
85.02895	7.0
85.06545	20.1
91.05475	12.9
93.07050	41.0
94.06532	2.3
95.04993	11.6
95.08610	62.3
97.02900	5.9
97.06548	16.4
97.10188	10.4
98.97577	17.9
99.08096	5.0
105.07024	29.4
107.04984	4.2
107.08594	30.3
109.06522	8.2
109.10160	38.0
110.09689	3.5
110.97511	3.0
111.08079	13.7
111.11710	23.0
113.06011	10.1
116.98636	5.6
119.08582	16.7
121.06536	6.1
121.10158	33.1
123.08065	6.6
123.11712	46.6
125.06068	2.3
125.09608	5.0
127.07510	2.3
131.00194	3.8
131.08571	3.5
133.06604	2.3
133.10143	14.2
135.08084	3.0
135.11708	17.0
137.05988	8.3
137.09630	4.2
137.13235	7.8
139.11217	27.2
145.10155	5.0
147.04456	2.7
147.11696	12.2
149.01237	2.5
149.09520	2.8
149.13306	13.8
151.11189	9.0
151.14853	4.7
153.12766	11.8
155.14474	2.4
158.99695	6.5
159.07991	2.9
159.11676	6.2
161.09604	3.8
161.13269	5.5
163.14851	6.6
165.12738	18.1
167.14375	3.8
169.12273	7.4
173.09642	3.5
173.13263	4.2
175.07481	2.5
175.14880	4.9
177.16441	3.3
181.12239	3.7
183.08043	2.5
183.13895	4.3
187.14801	4.1
189.16432	3.1
201.16296	3.8
215.18008	4.7
219.01759	3.8
233.15417	4.3
239.12964	3.0
244.09583	7.0
244.99786	3.8
245.22684	3.5
251.21257	4.9
269.12457	3.2
270.12509	3.0
271.24231	6.4
277.25369	5.3
289.18106	4.3
289.22501	3.2
289.25360	19.5
293.21210	3.2
307.14886	12.0
307.18439	2.4
307.23047	3.9
307.26303	35.6
324.61050	2.8
325.16061	9.2
325.24692	36.5
329.25247	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	325.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05503	0.5
56.05029	1.1
56.96564	0.6
57.03424	0.8
60.04530	3.7
61.02917	0.4
65.21577	0.3
67.05490	1.1
69.03420	1.2
69.07060	0.6
70.06595	1.5
70.25799	1.0
72.04520	0.5
72.08140	0.3
74.06097	0.3
79.05492	1.5
80.05031	1.4
81.03435	0.3
81.07047	1.6
82.06581	1.1
84.04534	0.4
84.08154	2.7
85.02906	3.7
86.06065	0.5
86.09713	0.3
91.05482	1.6
93.07038	1.2
94.06590	1.7
95.08593	0.5
96.08129	1.9
97.02888	1.2
97.08917	5.2
98.09673	1.0
98.97585	1.5
99.04441	0.5
102.57101	0.3
103.47839	0.3
105.07018	0.9
106.06561	0.3
108.08099	0.7
109.10167	0.4
110.06052	0.7
110.09690	9.6
110.97536	0.4
111.10474	0.7
116.98566	0.5
119.04945	0.3
119.08573	0.6
120.08108	0.7
121.10181	0.5
122.09705	0.9
123.10421	0.4
124.11234	2.7
127.03918	1.9
132.06567	1.1
132.08159	0.4
134.09641	0.6
136.07573	0.4
136.11221	2.2
137.12015	0.5
138.12776	1.0
145.04961	0.9
145.07623	2.5
147.04414	0.9
150.12775	2.7
152.14305	0.5
158.61473	0.3
158.99680	0.4
162.05409	0.4
162.12711	0.6
162.55646	0.4
163.08655	1.6
164.14368	2.1
166.15936	0.3
172.09737	0.7
174.12785	1.2
176.14404	1.0
177.00787	0.3
178.15950	2.0
180.17503	0.5
188.14516	0.4
189.04166	0.3
190.15865	0.5
192.17479	0.7
194.19096	0.7
204.17555	0.5
206.19034	0.7
216.17422	0.4
218.19023	0.4
219.01828	0.4
221.20168	0.8
234.18515	0.5
234.57770	0.4
235.21524	0.4
236.20110	1.3
237.02922	0.5
244.08289	0.6
247.21692	0.6
248.20087	1.8
251.21219	6.2
259.21692	2.1
266.21280	0.6
271.21680	1.8
277.22794	1.3
289.22757	2.1
293.21039	0.6
295.23883	0.6
307.23889	2.5
325.08844	1.0
325.14059	2.7
325.24869	100.0
326.25253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.5
55.01876	10.0
55.05515	42.4
57.03408	5.3
59.54712	4.3
64.82849	4.6
66.85327	3.8
67.05508	54.4
69.03077	8.7
69.03432	91.1
69.07080	30.8
69.31734	3.6
69.32008	40.7
71.05001	11.3
71.08595	5.3
73.60715	4.2
73.93870	4.6
79.05505	40.7
80.15981	4.1
81.03426	11.7
81.06589	6.3
81.07065	100.0
81.49434	5.2
83.04967	10.8
83.08617	20.4
85.02939	5.4
85.06598	4.6
91.05480	48.2
93.07056	44.9
95.04971	33.3
95.08615	62.2
97.06517	19.6
97.10169	10.3
98.21539	9.0
105.07052	55.2
107.04926	10.3
107.08601	45.6
109.06525	15.8
109.10173	34.1
111.04461	15.6
111.08036	5.2
112.28778	4.5
115.59933	5.0
117.07005	10.4
119.08588	38.3
121.06480	5.1
121.10161	35.5
123.08045	6.9
123.11725	7.9
125.09631	8.3
129.06961	5.0
131.08530	24.8
133.10127	54.3
135.08101	9.9
135.11681	17.4
137.09613	21.6
139.11133	5.4
145.10146	18.9
147.11705	24.4
149.09641	23.2
149.13300	13.7
151.11192	19.2
155.10649	6.2
159.11722	18.3
163.11197	10.4
165.12749	11.3
169.10118	5.4
171.11655	11.2
173.13327	9.7
181.12167	5.2
189.16519	6.4
207.17430	8.1
217.15892	9.9
223.13383	8.9
235.16962	58.6
239.18170	5.7
247.20778	5.1
257.18988	14.6
263.20062	10.4
265.21677	7.2
275.20114	75.6
289.21637	7.5
293.21075	47.4
307.22787	17.4
325.23975	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63309	2.5
53.03935	10.4
53.14288	2.8
55.01877	5.8
55.05296	2.9
55.05513	27.7
56.96553	4.7
57.03439	16.9
60.64293	2.4
67.05509	98.9
69.03424	5.4
69.07070	22.9
71.04982	10.7
71.57526	3.8
79.05495	48.0
81.03407	12.3
81.07059	100.0
83.04965	12.1
83.08630	14.5
85.06570	6.5
91.05486	47.4
92.61092	2.9
93.07047	78.4
95.04972	13.4
95.08612	90.1
97.06532	43.8
97.10168	16.3
99.08084	7.7
105.04519	2.5
105.07033	32.6
107.04950	12.7
107.08599	52.0
109.06496	11.4
109.10162	53.4
110.09690	3.9
110.10558	3.1
111.08077	10.4
112.10863	2.4
113.06030	5.2
117.06998	13.4
119.08581	29.7
121.06526	8.3
121.10155	44.0
123.08057	10.5
123.11711	19.6
125.09621	8.1
129.06989	2.9
131.08582	28.5
131.92625	3.0
133.10129	41.8
135.08061	6.2
135.11697	39.8
137.05855	3.0
137.09651	9.5
137.13298	3.0
139.07509	3.7
139.11157	3.3
143.08519	4.4
145.06522	3.0
145.10135	27.6
147.11707	15.3
149.09601	6.6
149.13223	18.3
149.14227	2.9
151.11206	18.8
153.09122	4.9
153.65846	3.7
157.10153	4.7
159.08032	5.8
159.11694	26.1
161.09677	5.5
161.13246	5.4
161.93144	2.9
169.12213	3.6
171.11584	3.1
171.14046	2.6
173.09639	4.1
173.11807	3.5
173.13240	9.7
177.12779	3.0
187.11214	3.7
187.14813	5.7
189.11191	3.2
191.14278	3.1
193.12250	4.5
205.19598	6.4
215.15923	3.6
215.17949	42.1
233.18999	64.1
233.52449	3.0
251.20134	2.9
255.32182	2.6
263.16476	4.4
264.61459	3.2
265.12726	3.1
271.16971	5.1
275.16492	5.5
275.19928	11.4
281.67853	2.5
283.13913	10.7
284.14032	4.7
289.18018	19.4
289.22684	2.7
290.18259	5.6
293.20987	3.6
301.14938	9.7
302.11740	3.5
303.10886	2.6
307.19055	8.4
307.22717	22.3
325.20245	6.2
325.24097	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.01879	20.1
55.05270	3.4
55.05514	58.0
57.03439	12.4
57.07082	12.8
59.05021	2.2
65.03925	3.4
67.05508	94.3
69.03416	5.9
69.07069	45.2
70.74269	5.4
71.05004	11.2
71.08617	9.1
72.85123	1.9
79.05064	2.8
79.05495	46.9
80.76901	2.1
81.03419	12.0
81.07062	95.1
83.04639	1.8
83.04984	18.7
83.08617	38.8
85.02905	2.8
85.06546	10.6
85.10182	8.4
91.04974	3.8
91.05488	48.8
93.07047	62.9
95.04972	25.6
95.08609	55.9
97.02915	4.0
97.06524	14.6
97.10180	23.2
99.08102	4.6
105.06386	3.6
105.07039	53.2
107.04955	13.6
107.08598	48.6
109.06525	15.4
109.10162	50.0
111.04425	5.5
111.08112	11.9
111.11633	2.4
113.09629	10.6
116.06209	2.1
117.07023	13.2
119.08582	23.1
121.06516	13.1
121.10149	20.3
123.04380	2.5
123.08073	12.9
123.11712	19.1
125.09638	21.7
127.07511	3.3
129.07033	3.7
129.48126	2.0
131.08583	20.5
133.06508	3.4
133.10136	74.2
135.08028	6.1
135.11705	21.9
137.09625	22.5
137.13316	2.1
139.07549	2.5
139.11310	2.8
141.09128	5.9
143.08553	4.4
145.06580	2.1
145.10147	18.9
147.08063	4.6
147.11676	13.2
149.09636	16.3
149.13220	7.1
151.09979	3.3
151.11185	60.3
151.97220	2.2
152.43417	2.0
153.09114	3.3
153.12738	3.5
159.11713	12.2
161.09651	3.3
161.13202	2.8
163.11208	22.4
163.14813	2.9
165.09088	2.5
165.12753	7.3
167.10680	5.5
169.10098	3.7
169.12270	4.1
171.11688	2.1
173.09595	3.2
173.13269	11.4
175.11220	3.8
177.12701	10.5
179.10709	14.3
181.12204	9.2
183.11728	1.8
183.12228	2.3
183.13797	16.6
187.14708	2.2
189.12752	3.3
191.10591	2.4
191.14340	4.7
193.12190	3.2
195.13756	7.1
205.12369	2.1
207.13832	3.0
215.17886	2.2
219.13774	5.0
223.13333	2.8
229.14395	3.2
229.19548	8.0
237.14854	5.0
239.17952	7.6
247.20525	18.5
257.19064	16.4
265.21545	12.3
275.20071	86.1
278.64636	1.9
293.21121	100.0
307.22659	34.0
325.20819	1.9
325.23651	21.3
325.27374	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01874	14.0
55.05513	55.5
57.03434	9.6
57.07075	14.8
65.03943	5.2
67.05505	92.2
69.03426	5.3
69.06721	3.7
69.07072	54.3
71.04995	4.3
71.08624	9.6
73.06587	2.3
73.17072	2.1
79.05495	46.3
81.03438	8.2
81.07060	98.5
83.04973	19.8
83.08624	39.2
84.32658	2.1
85.02914	5.7
85.06562	12.7
85.10184	6.6
91.05483	48.3
93.07053	59.9
95.04969	29.8
95.08611	62.7
97.02941	3.1
97.06543	12.3
97.10178	16.5
99.04463	2.2
99.08092	10.6
105.07038	44.8
107.04967	12.7
107.08605	51.6
109.06531	15.7
109.10160	55.7
111.04445	6.0
111.08077	12.0
111.08751	2.6
111.11726	2.9
113.09622	7.2
117.07035	14.0
118.17219	2.1
119.08580	25.5
121.06505	14.1
121.10154	23.2
123.08072	10.8
123.11682	20.7
125.09664	13.9
129.07016	3.2
131.08575	21.2
133.06473	4.9
133.10136	79.1
135.08095	9.4
135.11722	23.4
137.09634	14.6
137.13191	3.6
139.07553	2.2
141.09135	7.0
143.08545	4.3
145.06516	5.2
145.10159	17.5
147.08098	4.3
147.11702	12.8
149.09633	17.2
149.13261	5.5
151.11192	71.9
153.12756	4.7
155.08568	4.1
155.10716	3.1
157.10143	3.5
159.11728	14.0
161.09583	5.7
161.13292	4.8
163.11208	18.9
163.14879	3.4
165.09142	5.5
165.12744	7.4
167.10748	2.8
169.10120	2.6
169.12283	2.2
171.11777	4.3
173.09694	2.6
173.11868	2.5
173.13269	8.0
175.11203	2.6
177.12737	12.1
179.10745	12.0
181.12231	8.7
183.11723	4.8
183.13828	30.1
186.66324	2.3
187.11249	5.2
187.14819	2.4
191.14299	4.2
193.12224	3.5
195.13788	4.7
203.12744	4.9
205.12367	2.1
207.13773	5.2
211.13289	4.4
219.13788	5.3
223.13235	4.1
229.14337	7.3
229.19495	6.9
229.24242	2.6
237.14941	4.6
239.18030	3.3
245.51938	2.1
247.20560	26.3
257.19046	16.6
265.21722	13.2
275.20084	100.0
289.21765	3.6
293.21121	79.0
307.22684	41.2
325.23856	11.1
325.27716	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.2
55.05511	34.0
57.03438	8.1
58.10130	4.0
67.05514	48.7
67.59950	3.3
69.03430	32.1
69.07074	27.3
69.41466	11.2
69.41869	15.7
71.04990	6.0
79.05489	34.7
81.07060	100.0
83.04987	11.1
83.08611	18.2
85.06557	8.2
88.44558	3.6
91.05477	38.1
93.07043	41.6
95.04976	11.8
95.08598	39.1
97.06522	25.0
98.20844	7.1
105.07040	36.9
107.04977	6.0
107.08603	29.8
109.06524	15.0
109.10152	17.4
111.08090	9.7
117.07017	11.7
119.08596	33.6
121.06516	6.7
121.10149	19.8
123.08102	9.6
123.11726	11.6
125.09635	7.0
131.08583	18.6
133.10162	38.4
135.08076	7.8
135.11697	13.9
137.09648	10.7
139.11191	6.2
145.10126	13.8
147.11716	26.6
149.09641	11.3
149.13216	8.6
151.11195	12.9
157.10152	6.1
159.11690	12.2
161.13245	6.0
163.11209	9.0
165.12784	7.8
173.11852	4.3
173.13234	8.2
175.11214	6.6
188.09370	3.5
195.13904	4.2
227.18190	4.5
229.19641	7.0
231.72681	3.4
235.16924	11.3
239.17972	6.9
247.20755	4.2
257.18958	11.0
263.20099	28.8
275.20084	77.3
289.21686	7.0
293.21051	13.6
295.22708	9.9
307.22717	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.3
55.05518	7.1
57.03412	0.6
57.07078	0.6
59.04992	0.5
67.05508	4.6
69.03432	1.0
69.07075	4.7
69.74671	1.9
71.04986	0.7
71.08636	9.6
79.05506	3.9
81.03404	0.6
81.07061	5.1
83.04977	1.4
83.08620	3.9
91.05476	1.3
93.07063	3.2
95.04961	2.6
95.08603	2.9
97.10172	6.8
99.08096	6.5
105.07019	1.7
105.26911	0.4
107.04942	1.6
107.08611	3.0
108.05729	0.9
109.06528	1.8
109.10167	1.2
113.78323	0.5
117.06979	0.8
121.06508	3.2
121.10194	0.8
123.08051	0.7
124.13094	0.5
125.09628	5.2
131.08591	0.8
133.10133	0.9
135.08070	1.6
135.11729	0.8
149.13162	0.5
151.11185	1.5
153.09122	0.6
164.11949	1.0
165.12788	0.7
177.12782	2.1
191.14273	0.5
195.13815	0.9
203.12788	2.0
219.21002	0.6
237.14888	0.7
257.19098	1.2
275.20142	4.3
293.21130	100.0
294.21484	1.3
307.22678	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	325.2374
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
53.03926	2.8
55.01876	15.8
55.05509	23.7
57.03421	4.8
57.07068	3.4
65.29734	3.1
67.05504	44.2
69.03418	5.4
69.07065	24.8
70.17173	10.2
71.04982	5.3
79.05506	41.9
81.03419	5.9
81.07060	100.0
83.04974	9.2
83.08629	16.6
85.06545	7.7
86.23079	3.0
91.05494	38.2
93.07049	35.8
95.04971	13.4
95.08607	40.8
96.03793	2.7
97.06540	24.1
97.10159	5.4
105.07037	37.1
107.04955	5.9
107.08606	35.0
109.06553	17.3
109.10159	22.6
111.08097	6.9
113.09628	3.1
116.35896	2.5
117.06998	8.7
119.08587	32.3
121.06484	4.6
121.10153	26.8
123.08043	7.8
123.11707	10.1
125.09618	9.0
127.07549	2.7
129.06973	4.6
131.08597	19.1
132.49283	2.8
133.10147	33.0
135.08031	4.7
135.11685	11.6
137.09645	6.4
143.08528	4.2
145.10120	11.9
147.11699	26.6
149.09602	13.1
149.13187	6.3
151.11140	9.6
153.12758	3.9
157.10100	4.8
159.11699	8.5
161.13234	5.9
163.11208	7.2
165.12756	9.1
170.74426	2.8
173.13327	7.0
174.16277	2.7
175.11198	6.2
181.12228	4.1
187.11197	3.6
199.14790	2.6
201.12741	3.2
203.14302	5.3
229.19601	5.5
235.16864	4.7
239.17970	8.2
247.20598	8.4
247.57477	3.1
257.19016	10.2
263.20053	35.1
265.21494	4.2
275.20065	67.5
289.21628	8.3
293.21152	13.5
295.22662	8.8
307.22458	13.9
320.41675	3.3
325.23956	4.0
327.15649	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25499	6.6
54.32776	5.8
54.61319	5.7
55.01866	11.7
55.05510	32.3
57.03428	11.6
66.80498	4.9
67.05506	87.3
69.03418	24.8
69.07065	40.8
69.34112	50.2
71.04993	9.2
73.31297	6.1
79.05506	52.2
81.03444	7.2
81.07065	90.1
83.04976	13.9
83.08605	29.3
85.06554	11.1
91.05482	56.6
93.07027	41.4
94.07336	6.6
95.04949	20.7
95.08622	55.9
97.06535	15.6
97.10190	12.3
98.21593	7.5
102.94953	5.3
105.07035	53.0
107.04956	16.9
107.08601	35.6
109.06514	16.3
109.10162	56.9
111.04490	8.1
111.08096	11.2
117.06995	12.8
119.08595	41.1
121.06528	9.6
121.10132	23.7
123.08025	12.5
123.11681	12.1
125.09661	6.5
129.07033	9.3
131.08560	30.5
133.10144	46.6
135.08041	8.4
135.11691	25.8
137.09616	11.2
139.11185	7.4
143.08536	6.9
145.10110	18.7
147.11674	19.0
149.09615	18.1
151.11256	11.3
155.10713	13.4
157.10149	9.0
159.11671	15.5
161.13246	7.6
163.11165	13.7
165.12737	7.0
171.11670	8.3
173.11761	12.1
173.13223	13.0
175.11198	7.5
177.12810	7.3
179.14383	7.2
197.13295	6.7
203.12703	6.1
212.36574	5.7
235.16962	12.0
239.17938	11.1
256.44812	6.0
257.19058	22.5
275.20056	100.0
289.21634	9.5
293.21063	32.3
301.89197	5.5
307.22653	23.9
325.23734	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01861	10.0
55.05273	3.0
55.05514	45.9
57.03426	4.6
65.03926	4.0
67.05509	100.0
69.03412	7.8
69.07072	26.1
70.82258	6.5
70.82607	4.3
79.05499	47.0
81.03423	7.6
81.07059	75.5
83.04973	12.4
83.08630	19.9
85.06531	5.1
91.05484	39.7
93.07057	40.4
95.04959	17.0
95.08612	47.3
97.06525	12.7
97.10188	22.1
98.88683	3.3
98.97549	3.2
105.07031	39.3
106.52575	2.9
107.04930	11.4
107.08617	38.0
109.06514	25.6
109.10172	46.1
111.08065	8.4
117.07008	11.8
119.08607	27.8
121.06491	4.3
121.10155	17.1
123.08054	11.1
123.11697	6.9
125.09624	37.9
131.08549	19.3
133.10118	26.3
135.08047	9.2
135.11713	7.6
137.09593	10.0
143.08640	4.2
145.10114	19.0
147.11690	19.3
149.09622	10.8
151.11197	4.9
153.09090	6.8
155.10640	6.9
159.11681	16.4
161.13248	4.0
163.11151	9.0
169.10104	4.6
171.11629	4.5
173.09607	3.8
173.11691	9.6
173.13246	9.6
177.12794	4.5
181.12187	3.7
183.11613	3.4
201.12732	4.2
203.12730	12.6
223.13206	3.3
229.19563	3.7
234.20557	3.7
239.17868	7.3
247.20552	5.3
257.19012	17.4
264.37170	3.4
275.20087	80.2
289.17780	7.1
289.21747	5.2
293.21075	18.0
307.22665	21.3
325.23972	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01889	9.6
55.05515	37.7
57.03444	3.1
60.48130	2.2
67.05506	28.5
69.03445	2.6
69.07069	18.2
69.42323	15.0
70.75533	2.4
71.04997	5.6
73.06533	2.7
79.05492	29.4
81.03425	3.9
81.07066	30.3
83.04992	20.0
83.08626	21.3
85.02924	4.3
85.06541	3.6
91.05475	14.7
93.07054	29.2
95.04976	62.0
95.08613	15.3
97.06541	6.7
97.10175	19.2
98.20763	4.3
99.04469	6.3
99.08143	2.7
105.07045	21.3
107.04972	8.0
107.08615	28.0
109.06527	7.5
109.10197	11.5
111.04456	26.8
111.08089	8.7
117.07048	3.8
119.08583	13.5
120.25794	2.0
121.06491	4.5
121.10151	15.8
123.08099	5.0
125.09620	16.4
129.07005	4.2
131.08585	11.8
133.10152	11.7
135.08073	7.1
135.11725	10.6
137.09717	2.9
143.08543	4.3
145.10106	14.6
147.08067	4.3
147.11682	7.7
149.09625	25.7
151.11160	3.7
153.12737	7.4
157.10039	2.6
159.11711	5.7
161.09666	3.5
161.13263	2.5
163.11176	21.0
164.21191	2.0
165.12863	2.5
167.14282	4.0
170.86954	2.1
171.10170	3.6
171.11618	3.0
173.09656	3.0
173.13268	2.4
174.65215	1.8
177.12784	3.9
181.12250	8.4
182.65222	2.6
189.11189	16.8
191.10638	5.1
193.12254	3.4
205.12326	3.5
207.13857	2.2
223.13309	49.6
227.12758	3.7
232.54138	2.1
237.14847	15.2
239.18045	2.9
257.19107	10.4
275.20093	76.7
289.21652	2.5
293.21121	100.0
296.16629	2.0
307.22736	16.9
325.23828	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	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03938	5.0
55.01888	13.5
55.05267	3.2
55.05516	42.0
57.03430	5.3
57.07089	3.6
65.03946	4.7
67.05508	100.0
69.03422	6.5
69.07074	48.1
69.58176	16.3
79.05067	3.2
79.05497	53.1
81.03420	14.5
81.07062	85.7
83.04978	10.1
83.08619	24.3
85.06553	4.4
91.05473	32.0
93.07043	46.1
95.04976	38.8
95.08605	48.0
97.06528	12.3
97.10165	27.7
98.20724	3.2
105.07030	39.7
105.07681	3.8
107.04961	9.6
107.08604	40.9
109.06511	16.8
109.10157	49.0
110.71031	2.5
111.04473	3.6
111.08086	8.2
117.07024	10.7
119.08587	25.2
121.06530	5.2
121.10138	20.8
123.08086	11.9
123.11711	4.6
125.09636	32.5
125.85207	2.8
129.07040	4.4
131.08595	17.9
133.10130	26.3
135.08052	12.4
135.11716	8.1
137.09624	13.7
139.11142	3.8
139.45543	2.8
143.08554	3.7
145.10124	17.8
147.08043	3.9
147.11722	21.2
149.09627	22.6
149.13271	5.5
151.11215	4.3
153.09126	7.1
155.10648	3.9
157.10167	5.6
159.11714	10.5
161.09653	5.0
161.13243	6.9
163.11163	14.0
165.12759	6.4
167.10701	2.8
171.11627	5.1
173.11937	3.0
173.13293	12.2
177.12750	7.3
181.12312	3.4
187.11292	3.4
187.14859	4.2
189.11176	3.2
189.12842	3.4
191.14357	3.7
193.12234	4.5
203.12807	16.7
205.12328	4.1
207.13777	6.5
221.15604	2.8
223.13208	5.3
237.14882	7.6
247.20638	6.4
257.18970	9.9
275.20062	87.9
293.21143	22.3
307.22766	25.4
325.17792	12.9
325.24600	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31445	1.4
53.03934	5.3
55.01876	13.7
55.05270	2.3
55.05515	38.1
57.03431	2.3
57.85112	1.9
65.03919	4.8
67.05511	100.0
67.05876	4.7
69.03425	5.5
69.06728	2.6
69.07072	35.4
69.38274	9.7
69.38689	4.8
71.04981	5.1
77.93843	1.9
79.05064	2.7
79.05498	43.0
81.03420	10.4
81.07063	69.3
83.04544	1.6
83.04983	7.2
83.08624	21.8
85.06524	4.2
91.05481	29.7
93.07053	39.1
95.04975	32.2
95.08054	2.9
95.08614	42.3
97.06534	11.0
97.10172	24.4
98.19300	1.7
99.08057	2.9
105.07043	26.9
107.04956	11.1
107.08604	38.4
109.06510	8.8
109.09457	3.2
109.10159	32.2
111.04449	3.0
111.08080	4.1
117.07027	9.7
119.08581	19.9
121.06467	5.7
121.10163	17.2
123.08103	10.2
123.11703	7.9
125.09642	30.1
129.06995	3.8
131.08575	19.1
133.10136	17.4
135.08087	10.8
135.11703	9.2
135.54536	1.8
137.09627	14.8
139.11197	3.7
143.08539	3.6
145.10120	17.6
147.08081	5.1
147.11691	19.7
149.09607	18.6
149.13229	3.5
150.65601	1.9
151.11171	2.6
153.09109	5.0
155.08513	2.6
155.10680	2.5
157.10182	2.6
159.11700	12.9
161.09523	2.4
161.13174	3.4
163.11208	9.8
165.12749	3.7
169.10147	3.4
171.11728	2.6
173.13248	4.3
175.11197	2.3
177.12770	6.9
181.12306	2.2
187.11168	4.9
189.11212	2.1
191.14270	2.8
193.12250	3.6
203.12796	11.3
205.12280	5.1
207.00563	1.8
207.13828	3.3
209.15349	2.8
219.13919	2.1
223.13341	4.3
229.19553	3.9
237.14899	9.3
239.17897	5.3
246.98851	2.3
247.20560	5.9
251.16478	1.9
257.18988	7.9
275.20068	74.2
276.08762	1.7
293.21127	19.3
301.88126	1.8
307.22656	17.5
311.87106	1.9
325.17822	8.4
325.23990	3.3
326.49323	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	325.2012
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
52.46539	3.0
53.03937	12.9
55.01658	3.5
55.01875	36.1
55.05512	36.1
57.03433	29.6
61.50383	3.2
65.03932	3.6
67.05176	5.8
67.05506	81.6
69.03418	6.5
69.07071	23.7
70.74004	9.5
71.04982	7.2
77.49774	3.3
79.05497	76.2
81.03413	12.2
81.07060	78.4
83.04983	37.7
83.08628	10.5
85.06524	11.1
91.05485	68.0
93.07051	56.7
95.04966	71.0
95.08616	41.9
96.05738	4.2
97.02885	6.9
97.06522	10.7
97.10167	11.7
98.07324	8.5
105.07030	56.7
107.04955	100.0
107.08610	33.7
108.05759	6.4
109.06518	45.9
109.10150	21.3
111.04439	12.0
112.05232	8.8
113.06007	6.8
115.05445	7.1
117.07010	35.1
119.04967	5.8
119.08582	32.3
120.05740	4.5
121.06542	23.6
121.10108	16.6
121.42439	4.7
122.07300	34.0
123.04433	7.6
123.08048	9.4
123.11647	5.7
125.05937	5.2
125.09648	7.2
128.06216	7.4
129.06990	13.3
131.08575	35.6
133.06499	16.9
133.10143	21.4
135.08089	21.3
135.11670	13.3
137.09616	28.1
139.11198	4.1
140.70721	3.4
141.06985	6.2
143.08554	15.6
145.06544	21.6
145.10141	21.8
147.08035	39.1
147.11714	4.2
149.09613	10.9
149.13242	3.8
151.07571	7.0
153.07748	3.8
155.08553	7.6
157.10130	5.0
159.08049	4.4
159.11710	15.1
161.09610	25.4
162.10419	5.7
163.11203	11.6
165.09128	4.5
165.83037	3.4
169.10149	7.8
171.11752	6.4
173.13260	13.0
177.12669	4.6
185.13232	4.4
187.14790	15.1
189.12714	6.6
197.13335	6.3
205.15913	12.6
215.14281	15.0
217.15909	5.6
233.15369	99.2
233.18915	5.2
234.87396	3.8
251.16434	26.3
273.18463	6.8
275.20212	3.5
288.51462	4.5
290.18781	22.2
291.19507	7.2
307.19046	4.8
325.19824	14.6
325.24347	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03944	17.3
55.01865	12.0
55.05265	3.1
55.05510	39.4
56.96557	4.6
57.03434	18.2
59.04971	2.6
65.03937	3.2
67.05507	58.1
69.03433	4.8
69.07082	17.7
69.77803	13.5
71.04995	32.1
77.03937	2.5
79.05492	43.5
81.02972	4.1
81.03412	36.1
81.07059	61.4
83.04983	76.6
83.08607	7.9
85.06541	3.5
85.59943	2.2
91.05487	37.0
93.07044	46.5
95.04984	21.2
95.08611	35.1
97.02942	2.6
97.06536	18.4
97.10141	5.8
99.04449	5.4
99.08102	3.7
101.05952	2.6
103.05408	3.0
105.07033	32.0
107.04971	25.0
107.08596	28.7
109.02886	2.2
109.06491	13.8
109.10149	11.7
111.04433	7.5
111.08095	8.2
111.63931	2.2
113.05978	3.1
117.07014	15.7
119.04970	4.0
119.08582	27.7
121.06502	16.6
121.10152	9.1
123.04420	5.2
123.08078	14.8
125.06004	8.0
125.09641	6.8
128.06203	2.3
129.07013	8.5
131.08607	21.3
133.06488	6.1
133.10126	19.4
135.04491	2.7
135.08080	11.0
135.11719	13.4
135.87399	2.3
136.93150	2.5
137.05966	5.1
137.09648	3.1
139.07539	2.5
139.26567	2.1
141.06985	6.0
141.09209	2.8
143.08569	8.5
145.06494	8.1
145.10153	17.3
147.08063	7.6
147.11705	10.7
149.09650	5.7
149.13217	3.2
151.07620	4.3
151.11192	4.4
154.94218	4.4
155.08516	5.5
157.10126	7.3
159.08070	9.6
159.11667	15.2
161.09601	8.1
161.13268	7.5
163.07541	11.5
163.11172	14.1
165.09084	2.5
169.10152	9.9
171.11699	8.8
172.95297	5.0
173.09569	3.2
173.13239	4.5
175.11057	2.6
177.05371	2.3
177.09102	4.2
177.12779	12.0
179.14314	3.3
183.10173	3.0
183.11700	4.7
185.09659	3.1
187.11140	5.5
187.14793	2.6
189.12791	5.6
191.14194	4.5
193.12263	4.5
195.13747	3.0
196.12323	2.2
201.12650	4.2
205.15887	6.3
207.13750	5.3
215.14357	5.1
217.12283	5.1
219.13869	7.3
223.14952	4.1
226.99089	2.3
233.15405	19.7
235.08554	2.5
235.13248	5.4
237.14925	5.8
243.17451	6.7
244.09595	3.2
253.15880	4.3
261.18561	21.4
271.16946	21.1
275.20007	8.9
280.17902	3.9
289.17984	100.0
289.21219	4.1
293.21082	4.6
307.18970	36.5
325.20529	15.6
325.24902	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.35551	2.7
53.03952	28.1
55.01854	11.3
55.05514	49.7
57.03440	13.2
59.05008	3.3
59.47044	2.6
65.03920	4.9
67.05508	82.5
69.03409	11.6
69.07073	13.4
69.07358	2.4
69.62035	13.3
71.04998	55.0
73.02888	3.6
79.05068	4.3
79.05494	68.8
81.02985	4.6
81.03419	57.1
81.07062	89.4
83.04982	47.0
83.08627	13.8
85.06514	5.4
91.04633	2.6
91.05486	60.5
93.07048	62.8
95.04974	38.3
95.08611	54.2
97.06522	10.9
97.10151	7.9
98.20846	4.9
98.97528	3.5
99.08060	8.3
101.06018	6.7
103.05461	3.2
105.04542	2.6
105.07040	45.7
107.04965	35.9
107.08599	31.6
109.06525	25.8
109.10185	15.2
111.04427	4.1
111.08063	11.0
113.05977	4.1
115.05417	3.6
117.07044	18.2
119.04950	5.3
119.08590	33.6
121.06517	15.9
121.10146	18.3
123.04433	6.3
123.08060	24.4
123.11707	3.7
125.05974	3.2
125.09605	5.5
129.06961	10.0
129.07915	2.6
131.04935	4.1
131.08577	21.2
133.06490	10.7
133.10124	26.1
135.08080	12.5
135.11711	13.5
137.09612	7.9
141.06985	7.6
142.07813	2.9
143.08549	10.2
145.06471	14.9
145.10121	17.3
147.08086	13.4
147.11678	11.4
149.05925	4.9
149.09622	8.8
149.13185	7.1
151.07535	3.2
155.08479	7.2
157.10103	9.9
159.08098	16.3
159.11690	23.2
161.09595	11.5
161.13246	9.1
163.07564	4.6
163.11182	6.6
165.09190	3.2
168.09135	2.6
169.10121	9.4
171.11679	14.5
173.09607	7.7
173.13268	7.6
175.11145	4.3
177.09047	4.1
177.12723	9.4
179.10681	3.2
179.14212	5.3
183.10176	8.1
183.11687	4.8
185.09563	3.1
185.13293	6.2
187.11171	15.8
187.14803	2.6
189.12804	7.5
191.14342	5.2
195.13736	5.1
197.13126	3.3
199.11082	3.1
201.12798	5.0
205.12238	8.2
205.15961	2.9
207.13828	21.3
211.11214	2.9
215.14336	5.0
219.13852	14.7
231.13867	4.0
233.11708	5.1
233.15392	6.0
235.13162	3.5
237.14767	12.6
243.17419	7.5
249.14799	6.5
261.18451	19.8
271.16888	26.6
275.19971	4.6
289.17984	91.0
293.21051	2.8
307.19070	13.5
325.20090	100.0
325.24207	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03935	9.4
55.01878	16.7
55.05268	2.6
55.05513	45.2
56.96566	7.0
57.03440	45.2
57.07055	3.5
59.05003	3.6
65.03929	5.4
67.05508	97.2
69.03422	13.1
69.07069	35.0
69.75977	12.0
71.04979	7.4
77.03928	4.0
79.05495	72.9
81.03430	29.1
81.07061	87.0
83.04992	26.5
83.08622	26.6
85.06531	7.9
91.05486	55.8
93.07052	58.7
95.04975	27.4
95.08612	56.1
97.02918	2.4
97.05912	4.0
97.06532	63.7
97.10184	29.0
98.97579	2.9
99.04484	3.0
99.08073	7.0
105.06380	4.1
105.07029	44.7
107.04951	32.7
107.08598	47.2
109.06534	17.6
109.10154	34.6
111.04470	16.8
111.08076	9.8
113.05983	6.7
115.07555	3.2
116.98559	3.3
117.07012	20.8
119.04980	2.9
119.08590	44.2
119.09425	1.7
121.06512	25.5
121.10156	34.0
123.04475	3.5
123.08086	34.4
123.11710	5.2
124.84542	2.5
125.05990	15.9
125.09647	22.4
127.07558	2.7
129.06998	6.8
131.05002	2.9
131.08589	34.3
133.02849	34.9
133.06464	9.2
133.10136	35.0
135.08078	24.2
135.11685	17.0
137.06013	2.6
137.09633	11.3
139.07582	3.0
139.11142	4.9
141.06999	6.3
143.08588	7.4
145.06459	11.3
145.10101	23.2
147.08044	10.3
147.11673	14.1
149.09633	15.5
149.13237	6.0
151.07542	3.5
151.11182	9.9
153.09090	6.7
155.08554	3.5
157.10167	6.5
159.08070	36.2
159.11691	20.0
161.09584	6.5
161.13231	7.7
163.07578	4.6
163.11192	9.2
165.09096	5.3
165.12756	2.6
167.10719	6.4
169.10146	10.0
169.12103	2.8
171.11696	9.8
173.09598	8.9
173.11859	4.5
173.13264	9.3
175.11182	6.5
176.59387	2.5
177.09120	6.2
177.12779	14.9
179.10695	3.6
183.11690	4.7
185.11725	4.4
187.11220	11.0
187.14799	5.9
189.09129	65.6
189.11003	5.6
191.10661	2.9
193.12222	8.0
195.13799	7.1
197.13164	6.6
199.11261	2.7
199.14809	2.5
201.12837	3.7
201.16348	2.7
203.12772	7.3
205.12337	5.4
205.15923	4.5
211.13289	5.0
215.14365	7.7
217.12103	3.4
223.13306	9.3
229.19568	4.0
233.15387	40.9
233.18942	4.5
237.14734	4.3
239.17934	6.3
241.14400	13.4
243.17430	6.7
251.16487	13.3
253.15865	7.1
257.18994	11.6
261.18573	9.5
263.16458	2.5
265.21524	3.5
271.16946	44.4
275.20078	64.7
289.17999	100.0
289.21289	5.3
293.21069	13.7
307.19012	35.7
307.22668	12.3
325.14185	5.7
325.20157	18.8
325.24701	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	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99358	0.3
54.24459	0.4
55.01858	0.8
55.05511	1.3
55.33833	0.4
57.03435	1.0
65.03944	0.4
67.05503	1.6
69.07064	1.0
70.71416	1.0
79.05507	2.3
81.03421	0.5
81.07070	1.9
83.05032	0.4
83.08640	0.5
85.02900	0.5
86.06092	0.8
87.04458	0.4
91.05482	1.7
93.07043	1.5
95.04975	0.5
95.08630	2.3
97.06522	0.8
97.10165	1.0
105.07043	1.4
107.04917	0.4
107.08610	1.2
109.06538	1.9
109.10167	1.0
117.07081	0.4
119.08601	1.2
121.10204	0.6
123.08084	1.5
125.09625	0.9
131.08553	1.1
133.06502	0.8
133.10133	0.8
135.08084	0.8
136.07635	0.4
137.05991	0.5
137.09671	0.4
137.12167	0.4
139.83459	0.3
145.10201	0.5
147.04390	0.5
147.11705	0.6
157.10063	0.5
159.08066	0.4
161.05989	0.8
189.09320	0.4
189.11156	0.8
195.08659	0.4
201.09225	0.8
221.10277	0.4
225.13397	0.4
233.15384	0.5
244.09184	0.4
247.15268	1.0
251.11302	2.9
261.18512	0.6
263.16489	1.5
269.12387	3.6
271.16980	0.7
275.14755	0.6
277.12958	0.6
281.17197	3.1
287.13519	1.4
289.17892	1.9
307.18982	1.2
325.16235	100.0
325.24292	2.4
326.16544	1.1
344.74588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
55.05505	4.7
57.03426	12.2
57.07057	4.0
58.15719	3.2
61.02932	78.7
67.05494	10.7
69.03418	12.6
69.07060	4.1
70.74198	7.0
70.74565	4.0
71.08629	3.3
73.02927	24.2
77.92024	3.0
79.05498	9.2
81.03407	4.4
81.07056	9.3
83.04983	3.2
85.02910	100.0
91.03410	5.2
91.03961	85.3
91.05479	9.2
91.75300	2.5
92.14079	3.3
93.07037	8.5
95.04950	5.5
95.08596	13.0
97.02898	44.3
97.06535	4.0
99.04436	8.8
103.03928	4.1
105.07032	12.6
107.08604	5.4
109.02868	3.8
109.06533	3.9
109.10151	7.5
110.09665	3.2
115.03928	8.0
115.31602	3.2
117.07026	3.1
119.08562	8.1
121.10119	5.0
123.07990	3.2
127.03931	34.7
131.08566	6.0
133.10179	5.0
135.11653	3.5
143.08525	3.7
145.04964	50.2
145.10130	4.6
147.11665	4.3
149.09637	3.5
157.10130	5.8
163.06023	36.0
193.04939	5.4
194.45117	2.8
231.61417	3.1
275.19919	5.1
325.21423	13.5
325.25412	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55395	0.3
53.03951	1.7
55.01878	2.1
57.03439	3.0
59.05000	0.4
61.02913	1.1
66.38000	0.3
69.03431	15.7
70.06570	0.4
71.00849	0.7
71.01352	0.6
71.04652	0.4
71.04992	5.2
71.09826	0.3
73.02894	0.9
75.04481	0.4
81.03419	17.7
81.06962	0.4
84.08120	0.3
85.02881	0.9
86.09689	0.4
91.05483	1.6
98.97540	0.4
99.04457	5.9
110.09673	0.5
116.05025	0.5
117.05475	1.8
118.06545	5.3
119.04932	0.9
120.08076	0.6
130.05081	0.5
132.06619	0.3
143.00172	0.6
145.06505	0.3
145.07600	6.6
147.04402	3.7
147.09164	8.0
155.17046	0.3
162.07898	1.3
163.08641	1.6
173.07118	12.2
175.08662	6.4
187.08667	0.4
191.08154	100.0
203.08153	0.4
205.09639	0.6
213.10175	0.3
215.11859	0.5
231.11293	0.4
233.09227	1.4
243.11049	0.4
243.74734	0.4
248.19943	0.4
251.21191	0.9
271.10782	0.8
281.18542	0.4
289.11862	1.1
292.10483	0.3
307.12881	34.6
325.13956	33.8
325.21741	0.6
325.24789	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	324.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05275	1.6
55.05517	13.9
56.96559	3.6
61.76803	1.7
64.46118	1.7
67.05486	5.5
69.07043	4.4
70.06586	1.8
71.56696	1.7
71.57111	3.1
79.05492	10.3
81.07038	8.2
81.87046	1.7
83.04963	3.2
83.08603	6.4
84.27081	1.8
91.05482	10.0
91.21723	1.9
92.05797	2.3
93.07040	9.0
95.08630	8.7
97.06499	2.4
97.10166	14.8
105.07008	7.1
107.04983	2.7
107.08573	4.9
109.06492	2.5
109.10168	3.1
111.08052	2.7
117.06995	4.9
119.08583	100.0
120.08842	1.8
121.10152	3.5
125.09645	10.1
131.08530	4.0
133.06432	5.0
133.10109	3.2
135.08055	8.3
137.09619	2.2
140.92169	1.9
143.08546	2.7
145.10167	4.5
147.08078	8.6
157.10100	1.9
159.08055	43.2
159.09386	2.5
161.09651	2.2
165.94336	1.9
171.10266	1.9
173.09601	4.6
189.11192	9.0
225.86951	1.8
227.70619	1.7
232.08252	2.1
253.15895	5.2
257.06940	5.3
271.16937	30.4
274.18689	3.9
289.17911	14.8
292.19839	2.3
306.21704	1.7
324.22482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.85173	0.2
51.88682	0.2
55.01854	0.2
55.05497	0.2
56.96567	0.3
58.82135	0.2
60.04528	0.3
60.66527	0.2
64.39022	0.2
65.03940	0.3
67.05495	0.4
68.99774	0.2
69.03426	0.4
70.06592	1.5
71.33862	0.2
71.56554	0.3
72.08150	0.4
79.05473	0.4
81.03442	0.2
81.07071	0.2
82.06609	0.2
83.11321	0.2
84.04546	0.2
84.08140	0.6
85.02921	1.2
86.09727	0.4
91.05480	5.8
91.12505	0.2
93.07049	0.2
95.08643	0.2
96.08129	0.4
97.02899	0.4
97.06497	0.2
98.97556	0.4
105.07038	0.2
107.04963	8.0
110.07162	0.3
110.09675	0.3
110.97547	0.2
116.07093	0.4
119.04950	8.9
120.08106	0.4
127.03912	0.3
127.07633	0.2
128.07098	0.4
129.07410	0.4
129.10243	0.4
133.10204	0.2
135.04460	1.0
136.07561	0.2
143.00160	0.2
145.10014	0.2
147.04417	5.5
148.04745	0.3
148.11215	0.5
150.12799	0.2
163.03912	100.0
164.04262	0.7
184.97289	0.2
248.98949	0.2
251.21242	0.3
265.12271	0.4
267.03943	0.2
282.76053	0.2
283.13354	0.9
289.22836	0.2
301.14413	0.7
325.14139	1.9
325.17889	0.5
325.24921	4.7
329.05432	0.3
347.06500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03938	0.6
55.05510	0.3
56.94305	0.3
56.96562	0.2
58.63405	0.2
67.05490	0.5
72.93798	0.7
77.03928	0.3
79.05496	12.3
81.07075	0.4
82.07461	0.2
88.96886	0.2
91.05489	0.6
92.19804	0.2
93.07035	1.6
93.72622	0.2
95.04974	0.6
98.20759	0.6
103.05473	30.0
105.07040	2.5
107.04959	17.1
109.06555	0.4
113.36651	0.2
118.06540	4.3
119.08607	0.2
121.06484	1.3
121.10207	0.3
131.04932	10.1
132.08052	1.4
133.08859	0.9
134.09656	0.3
146.09647	1.5
149.05984	0.8
160.11223	0.9
170.24564	0.2
176.14354	41.7
189.15005	0.5
204.10249	0.4
233.14107	0.5
244.09764	0.3
255.06683	0.3
265.05255	0.4
280.13239	0.3
283.06329	1.8
301.07281	4.1
324.19574	100.0
325.19995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05510	0.3
56.94305	0.3
56.96562	0.2
58.63405	0.2
67.05490	0.5
72.93798	0.7
77.03928	0.3
79.05496	12.3
81.07075	0.4
82.07461	0.2
88.96886	0.2
91.05489	0.6
92.19804	0.2
93.07035	1.6
93.72622	0.2
95.04974	0.6
98.20759	0.6
103.05473	30.0
105.07040	2.5
107.04959	17.1
109.06555	0.4
113.36651	0.2
118.06540	4.3
119.08607	0.2
121.06484	1.3
121.10207	0.3
131.04932	10.1
132.08052	1.4
133.08859	0.9
134.09656	0.3
146.09647	1.5
149.05984	0.8
160.11223	0.9
170.24564	0.2
176.14354	41.7
189.15005	0.5
204.10249	0.4
233.14107	0.5
244.09764	0.3
255.06683	0.3
265.05255	0.4
280.13239	0.3
283.06329	1.8
301.07281	4.1
324.19574	100.0
325.19995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05502	2.7
56.96563	3.4
57.03437	1.8
65.54488	1.1
67.05505	7.0
69.01660	0.9
69.03426	8.7
69.07066	2.7
70.06554	1.1
70.71496	3.1
71.01364	1.5
79.05492	9.7
80.04997	1.7
80.05796	1.2
81.03400	2.3
81.07061	9.1
82.07425	1.8
83.08598	1.4
83.61385	0.9
84.04475	1.0
85.06538	2.0
86.05582	2.0
86.06072	28.8
91.05490	18.4
91.06026	2.1
93.07034	5.4
94.06561	1.9
95.04962	2.5
95.08585	3.2
95.09171	1.2
96.04514	2.7
97.06548	1.7
97.10167	1.3
98.06074	2.5
98.97588	2.0
103.05446	1.8
105.07041	11.2
107.04967	4.5
107.08608	2.9
108.04501	4.1
108.08079	1.2
109.02895	1.3
109.06487	5.1
109.10220	1.2
110.06087	2.3
110.06807	2.4
111.04480	1.7
117.07027	6.5
118.06577	1.4
119.08578	19.9
120.08118	3.9
120.10734	1.2
121.06554	1.7
122.06042	19.8
122.09667	1.6
123.06783	1.0
123.08038	1.8
128.06209	4.0
129.07007	2.1
131.04955	1.5
131.08592	2.8
133.06462	1.2
133.10130	17.5
134.06021	3.4
135.06764	1.6
136.07579	6.2
143.08580	9.8
145.10071	1.7
147.04489	1.2
147.08040	1.5
148.07570	11.8
149.08334	4.6
150.09152	5.0
153.06952	1.9
159.08093	1.2
159.11710	1.5
160.07634	1.5
160.11119	1.4
161.09625	26.7
162.09167	3.2
162.12802	1.5
164.07016	7.7
171.08035	14.1
174.09088	2.0
176.07080	11.4
178.08655	8.0
178.12274	2.5
188.10721	2.0
189.09116	20.3
190.08629	21.2
190.12321	4.4
191.10799	1.1
193.12247	4.1
199.02861	1.3
200.10686	1.5
202.12273	1.2
204.13875	1.4
206.11809	1.5
218.11807	5.4
218.15361	7.9
221.11783	2.3
222.82109	1.4
228.13901	6.1
238.12312	1.8
242.08273	1.1
243.09001	1.2
244.05600	1.1
246.14905	100.0
250.14372	8.1
256.13345	26.0
257.10709	6.3
264.39264	1.1
269.10583	9.9
274.14389	58.6
275.11838	2.2
275.14798	1.8
278.17532	39.5
283.12143	4.7
287.11615	3.9
292.20010	1.8
301.13184	9.7
306.17020	77.2
311.20016	1.1
324.14548	1.0
324.18039	23.3
337.20441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91818	0.9
55.01861	1.2
55.05509	1.3
56.05032	6.0
56.56536	0.9
56.96569	1.7
57.03425	1.1
58.06596	2.7
60.04517	6.0
60.36320	0.9
67.05505	2.8
69.04085	0.9
69.04542	6.0
69.07054	1.1
69.54405	1.0
70.02950	1.0
70.06583	3.0
71.13038	2.0
72.23287	1.1
74.06082	37.4
77.73427	1.0
78.43037	0.9
79.05488	2.2
81.07057	3.0
84.04491	4.4
84.08172	2.0
85.02885	3.1
86.06069	23.1
86.09693	1.4
87.05597	4.4
91.05495	5.4
93.07043	1.7
94.06555	1.2
95.08588	1.1
96.04501	12.1
96.23557	0.9
97.02880	1.6
97.06528	5.0
98.21431	1.2
98.97597	2.9
99.08107	2.0
103.05481	3.1
104.06254	1.8
105.07040	4.8
106.06570	1.2
107.04944	1.4
110.06033	1.1
110.97543	1.4
112.03924	1.3
113.07130	21.4
115.08714	1.8
116.98640	1.3
120.08111	100.0
121.08401	1.0
123.08057	0.9
127.07550	3.6
131.04967	5.3
131.05862	0.8
131.08176	28.3
133.08868	3.6
137.06041	1.3
140.91603	1.0
141.06593	3.2
144.08098	2.9
145.08588	2.7
146.09660	2.5
147.04422	1.3
148.11214	41.7
149.05989	1.7
157.09991	1.1
158.09608	1.5
159.07663	27.9
159.09013	1.4
160.58134	1.0
162.05510	2.0
162.09154	2.8
163.03818	1.2
166.08650	45.2
174.09157	1.1
177.10233	11.7
192.10231	5.7
205.09779	2.0
207.11279	13.5
235.10750	3.8
249.12387	1.4
251.99287	1.4
267.13397	1.6
288.19662	2.0
306.14514	9.7
306.20694	4.4
324.15781	8.2
324.21634	19.3
325.08823	1.3
325.24966	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	323.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.2
55.05498	22.3
57.07067	21.8
67.05499	52.5
69.07082	36.5
71.57417	10.3
71.57797	9.8
79.05496	44.9
81.07069	78.1
83.04967	17.6
83.08625	17.3
85.06520	6.9
85.10179	30.0
91.05473	33.5
93.07051	70.7
95.04938	15.0
95.08617	55.6
97.06523	12.1
97.08894	14.2
105.06994	20.5
107.08570	32.0
109.10143	23.7
110.09691	11.8
113.06030	14.6
113.09647	41.1
119.08582	14.8
121.10140	31.5
133.10124	18.8
135.11690	34.1
147.11687	9.4
149.13232	28.1
151.11188	7.9
161.13226	14.9
163.11139	8.0
164.14357	8.6
165.12714	12.6
179.14345	100.0
207.17477	13.6
209.15285	9.8
231.85767	6.3
235.17047	10.4
266.21158	9.8
277.22668	14.0
291.19611	22.3
291.23175	72.1
305.21887	21.0
323.19470	44.1
323.23291	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	3.6
55.05264	1.2
55.05513	16.7
57.03420	0.9
62.06083	2.1
64.39621	0.8
67.05211	1.0
67.05506	9.2
69.03436	4.6
69.07070	11.5
69.45409	3.7
69.45829	2.6
71.04991	1.2
79.05499	11.7
81.03420	1.5
81.07059	9.8
83.04979	1.5
83.08609	9.1
91.05489	7.8
93.07050	9.0
95.04966	3.7
95.08624	5.3
97.02920	2.3
97.06502	1.8
97.10175	15.2
105.07040	6.5
107.04957	3.4
107.08609	8.4
109.10159	3.5
117.07015	2.6
119.08575	5.3
121.06532	1.2
121.10143	2.6
123.08061	3.1
125.09624	13.6
129.06995	1.8
131.08534	3.8
133.06468	3.1
133.10120	3.0
135.08057	3.2
137.09673	1.3
143.08548	2.0
145.10104	3.4
147.08057	3.2
147.11678	1.1
149.09665	1.5
153.09108	1.7
157.10094	1.4
157.12285	1.1
159.11682	2.0
161.09665	0.9
163.11137	1.0
165.09067	1.7
181.87465	0.9
185.11748	1.0
203.12778	5.8
205.12227	1.3
223.13312	13.6
237.14709	1.6
249.14813	1.0
263.20102	1.0
273.18503	7.7
291.19550	100.0
294.46460	1.0
305.21118	20.4
323.22122	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01862	14.0
55.05514	33.8
56.04696	3.0
57.03434	8.2
65.03946	4.4
67.05505	84.9
69.03436	6.9
69.07069	22.8
69.13021	2.9
70.07492	12.2
71.04992	3.5
71.71664	3.2
79.05491	52.8
81.07063	91.7
83.01353	4.5
83.04984	33.5
83.08615	8.6
85.06551	8.2
91.05486	56.9
93.07048	61.3
95.04949	17.1
95.08607	27.6
97.06516	10.6
97.10171	3.9
105.07030	60.3
107.04971	14.5
107.08596	47.7
109.06512	14.9
109.10166	57.5
111.04408	5.5
111.08068	12.3
117.07058	14.8
119.08570	18.7
121.06541	19.3
121.10152	13.7
123.04411	3.6
123.08067	3.6
123.11707	20.0
129.07008	5.2
131.08591	21.7
133.06465	17.1
133.10139	100.0
135.08078	10.0
135.11671	11.6
137.09589	4.7
139.07549	9.8
143.08580	9.2
145.10191	16.5
147.08069	14.0
147.11659	6.3
149.09608	21.2
149.13330	3.5
151.11182	96.2
151.12358	6.2
157.10153	7.0
159.08011	7.3
159.11688	6.1
161.09668	14.1
165.12704	3.5
169.10091	3.6
171.11719	8.6
175.11298	5.9
177.09087	18.6
179.10670	10.8
181.08646	3.4
181.12253	6.3
183.13792	34.6
185.13290	7.2
189.12752	7.6
211.13177	5.5
213.83012	3.1
217.12219	4.6
223.13400	3.3
229.14305	6.5
245.19057	16.7
255.17540	4.8
257.30640	3.0
263.20001	17.6
273.18503	47.1
291.19522	62.8
305.21136	33.3
323.22174	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43785	1.1
53.03947	1.8
55.01866	2.0
55.05514	26.6
57.03431	1.5
59.04988	1.2
66.90956	1.1
67.05511	14.6
69.03425	5.3
69.07070	15.2
69.78444	4.3
69.78851	2.7
71.04988	1.2
79.05498	17.3
81.03425	3.5
81.07062	14.3
83.04995	1.9
83.08617	11.8
83.28400	1.3
91.05480	10.6
91.95580	1.4
93.07050	13.1
95.04969	8.3
95.08609	7.4
96.04883	1.1
97.02904	2.5
97.06513	2.1
97.10180	23.3
98.21471	2.3
105.07063	7.6
107.04960	5.2
107.08593	13.3
109.02914	1.6
109.06523	2.3
109.10175	2.8
111.08067	1.9
117.07005	5.4
119.08592	7.8
121.06472	1.6
121.10117	3.3
123.08090	7.9
123.11710	1.2
125.09639	22.8
129.07024	2.4
131.08572	4.4
133.06473	1.5
133.10132	2.3
135.08073	4.6
135.11679	2.1
137.09613	2.1
143.08556	2.1
145.10135	4.5
147.08054	4.5
147.11656	1.6
149.09633	1.4
153.09091	4.3
157.10156	3.1
159.11804	1.3
163.11247	3.4
165.09134	3.3
171.64427	1.2
175.11179	1.7
186.79636	1.2
193.12155	2.8
203.12753	10.2
223.13255	9.7
237.14801	1.7
245.18909	1.5
255.17433	2.6
262.72916	1.0
272.03964	1.1
273.18539	10.6
291.19559	100.0
305.21136	17.5
323.22263	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01871	5.7
55.05509	4.2
57.03444	30.5
58.92406	1.3
67.05511	24.5
69.03461	1.5
69.07104	1.6
70.07750	6.2
71.04997	3.9
79.05506	9.9
81.07073	9.0
83.04990	2.0
83.08614	3.2
85.06544	25.6
91.05476	10.1
93.07043	11.1
95.04974	36.4
95.08618	4.7
98.20806	1.6
100.00862	1.5
105.07032	6.8
107.04957	4.1
107.08630	7.6
109.06535	29.7
111.04434	1.8
111.08060	1.8
113.06015	100.0
117.07004	3.1
119.08609	5.2
121.06468	1.9
121.10155	2.8
123.08084	2.5
129.07016	1.7
131.08588	6.7
133.10162	2.5
135.08047	22.4
135.11716	3.7
141.09204	1.5
141.62691	1.2
143.08611	2.2
145.10164	3.9
147.08084	2.4
149.09662	1.8
158.22510	1.4
159.11691	2.5
161.09712	1.8
163.11160	2.8
175.11206	1.7
177.12743	1.4
201.12834	2.5
217.15894	9.0
219.13834	1.5
249.09354	1.3
255.17384	2.6
273.18524	15.5
291.19550	47.9
305.21176	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53009	2.8
53.03935	7.8
55.01866	12.0
55.05511	38.0
57.03432	6.2
59.80258	4.6
65.03931	3.4
67.05511	68.5
69.03421	8.3
69.07066	22.2
69.44500	25.7
69.80114	3.1
72.73747	3.2
79.05502	49.9
81.03399	4.7
81.07066	80.1
83.01357	4.9
83.04983	22.4
83.08612	15.5
85.06542	5.4
85.07189	3.1
87.26044	3.0
88.77231	3.3
91.05483	52.2
93.07047	65.7
95.04968	9.8
95.08614	42.8
97.06537	14.3
97.10179	8.3
97.98581	3.3
99.08115	3.2
103.08308	3.6
105.07028	56.5
107.04961	14.1
107.08601	52.3
109.06530	19.5
109.10167	62.5
110.98760	3.9
111.04473	5.7
111.08082	14.0
115.65519	3.3
117.07012	9.6
119.08559	23.0
121.06521	13.7
121.10142	13.6
123.04436	6.7
123.08043	9.6
123.11697	8.3
125.09655	3.9
129.07001	10.1
131.08588	25.0
133.06502	14.9
133.10141	100.0
135.08066	10.8
135.11682	12.9
137.05971	4.1
137.09633	8.2
139.07550	11.0
139.11221	3.7
143.08575	12.9
145.10127	15.5
147.08055	13.1
147.11696	11.8
149.09601	15.3
151.11201	89.4
157.10249	5.4
159.08109	8.1
159.11737	6.5
161.09633	13.5
161.13240	5.1
163.11255	4.2
165.09131	4.5
171.08142	3.7
171.11723	11.0
175.11176	9.9
177.09126	11.0
179.10706	12.2
181.08490	3.5
181.12215	4.2
183.13821	33.1
185.13336	4.3
187.10936	3.6
189.12750	5.0
197.88284	3.9
207.13878	4.1
211.13571	3.3
213.12970	4.3
217.12343	3.9
223.13327	4.8
225.61650	3.7
227.18005	4.1
229.14343	7.0
245.19052	17.5
255.17523	7.5
263.20087	22.4
273.18503	53.5
291.19574	94.5
305.21133	14.1
323.22235	43.0
338.09149	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01874	12.3
55.05514	18.9
57.03442	18.6
57.07077	2.7
59.52390	2.1
65.03931	6.0
66.90334	2.2
67.05504	64.5
69.03410	8.2
69.07067	12.8
69.63050	14.6
71.04965	3.9
79.05066	2.9
79.05495	38.6
79.20890	2.5
81.03400	6.3
81.07060	58.6
83.04975	11.7
83.08607	8.6
85.06561	12.0
91.05482	30.8
93.07037	32.8
95.04971	100.0
95.08609	23.0
97.06516	8.2
105.07036	18.4
107.04957	10.8
107.08588	18.1
109.06523	59.2
109.10133	9.5
111.08067	5.0
113.06007	29.0
117.07044	10.8
119.08585	12.2
121.06513	8.3
121.10146	6.7
123.08060	6.1
123.11709	3.1
125.09674	2.3
129.06993	7.7
131.08533	20.4
133.06459	6.7
133.10133	9.9
135.08058	32.5
135.11676	8.8
137.05957	2.9
137.09608	6.5
141.06960	3.0
143.08511	11.1
145.10118	13.6
147.08034	9.6
147.11650	5.5
149.09589	9.0
149.13239	6.7
151.10985	2.1
157.10178	6.0
159.08006	2.9
159.11635	7.2
161.09589	6.0
161.13255	3.5
163.11136	4.4
171.11678	5.2
173.13182	3.1
175.11198	4.2
177.12740	6.8
185.13300	3.0
187.11169	7.0
189.12805	2.5
205.12256	2.8
217.15952	12.3
221.15355	3.7
227.17949	4.8
237.16383	2.6
245.18970	4.1
255.17458	5.7
273.18491	44.6
283.55829	2.7
291.19553	24.8
305.21115	32.8
323.22415	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.1
54.71024	2.6
55.01871	24.1
55.05515	35.2
55.64459	2.2
57.03424	7.8
59.04999	4.4
61.37183	2.3
65.03941	2.8
67.05509	48.8
69.03423	6.4
69.07072	24.9
69.80238	12.5
71.04983	8.7
74.40934	2.4
79.05058	4.2
79.05498	56.6
81.03429	24.6
81.07064	100.0
83.04983	34.2
83.08627	17.1
85.02921	3.5
85.06529	6.6
86.00652	2.2
91.05485	25.3
93.07055	48.5
95.04959	20.5
95.08613	36.1
97.06539	26.9
97.10167	21.0
98.20809	3.8
99.04464	11.6
99.08090	4.6
104.05108	2.2
105.07041	19.7
107.04952	20.2
107.08605	24.7
109.06514	36.0
109.10146	11.5
111.04448	63.3
111.08054	12.7
113.05977	4.2
115.25736	2.3
117.07026	12.4
119.08583	24.7
121.06511	9.6
121.10146	16.1
123.04415	3.1
123.08083	27.1
125.09641	22.1
127.07561	2.7
128.06212	2.2
129.06995	4.7
131.08598	20.8
133.06477	5.8
133.10143	14.2
135.08029	14.8
135.11713	17.7
137.09601	15.4
137.95631	2.2
141.07021	4.1
143.08562	6.3
145.06520	4.1
145.10127	13.5
147.08044	7.8
147.11670	6.8
149.09666	14.6
149.13289	11.5
153.09093	16.7
153.12744	4.6
155.10628	2.4
157.10143	7.7
159.11703	17.8
161.09618	9.3
163.11206	19.8
165.09140	11.0
169.10103	3.8
175.11183	6.9
177.12720	19.5
181.12265	5.4
185.13283	4.5
187.11208	7.7
189.11301	2.8
191.10602	5.2
193.12247	11.7
199.97855	2.3
203.12759	7.3
205.12325	5.0
209.11690	2.9
209.15332	3.7
217.15968	3.1
221.15532	3.4
223.13255	3.0
227.12767	5.6
245.19025	4.7
255.17511	3.6
263.19989	3.8
273.18515	44.6
291.19559	69.2
305.21133	40.1
316.20483	2.5
323.22162	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81834	2.2
57.84682	2.5
69.14004	2.3
69.76257	2.4
70.23974	9.3
98.21410	3.1
130.68555	2.8
143.01869	7.0
155.01936	4.6
161.03020	5.7
173.03024	4.2
195.96056	2.7
203.03963	3.0
204.03789	2.5
224.17621	2.9
235.14565	2.5
248.89606	4.2
263.06076	4.0
323.07385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
55.05507	4.9
56.96566	4.6
61.02918	5.8
65.13038	2.1
66.75220	1.8
67.05496	3.3
69.03423	5.6
70.06589	5.1
70.85217	2.1
71.56393	3.2
72.08165	2.2
73.02919	3.6
79.05468	4.7
81.07062	2.8
83.08556	2.7
84.04512	2.4
84.08136	3.7
85.02904	12.9
86.09711	3.1
89.03957	2.3
91.05487	7.2
93.07040	2.5
97.02888	4.9
97.06545	1.9
98.97579	8.1
103.05476	4.2
105.07040	3.6
107.04993	2.8
107.08620	3.0
110.97572	2.8
113.07055	1.9
115.05470	5.6
116.29590	1.8
116.98604	4.2
117.03375	4.2
119.04910	4.1
119.08559	3.1
120.08125	3.0
120.24199	1.9
121.06444	2.5
129.07001	2.5
131.04961	17.6
131.08578	2.2
133.06485	4.5
135.04449	14.2
137.02351	5.7
141.07028	6.0
143.04924	3.1
145.02849	3.8
145.06458	2.8
147.04451	13.1
149.05989	14.4
155.04893	2.6
157.06537	4.2
159.04413	10.8
160.07527	2.1
161.02324	4.2
161.05969	8.8
163.03909	50.1
165.01843	2.5
167.07095	2.8
169.06425	9.7
171.04472	4.4
173.06009	6.3
175.03897	9.5
175.07593	2.4
177.00786	2.7
177.05476	37.9
183.04440	4.1
185.05928	9.9
187.03920	8.1
187.07516	4.7
189.05449	20.5
191.03374	6.7
193.04977	10.4
195.04446	2.6
197.05962	12.1
199.03961	4.4
201.05498	20.2
203.03470	7.6
203.07030	3.4
205.04976	100.0
207.02916	3.9
207.06407	2.6
213.05511	13.2
214.06317	2.4
215.03464	2.7
215.07060	7.6
217.05014	34.0
219.01721	2.5
225.05336	2.4
228.70621	2.0
229.05006	10.4
231.02998	2.4
231.06561	7.9
241.04944	8.5
243.06633	4.4
245.04498	10.2
259.06027	14.6
273.18539	2.6
277.07065	11.9
291.19717	12.7
295.08197	2.2
305.06436	5.2
319.10153	2.8
323.07617	37.2
323.11557	10.5
323.23138	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	322.1763
Annotation	Gly Val Phe
Peak:m/z	Relative Intensity
53.48404	0.6
55.05518	4.1
57.05824	0.5
70.06606	1.5
71.21391	1.2
72.08158	92.4
79.05458	0.5
83.04961	0.6
84.08164	1.3
86.09704	1.8
93.07048	0.9
95.06099	0.6
98.97629	1.0
103.05457	1.8
107.04966	0.9
110.07172	0.8
120.08110	61.4
129.10245	100.0
130.10652	0.6
131.04921	1.3
132.08011	0.5
149.06004	1.1
157.09729	28.7
166.08647	41.2
177.10280	0.6
194.08667	0.5
297.34796	0.6
322.20126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2015
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03919	0.4
55.05516	1.5
55.65746	0.2
56.05041	0.3
56.96564	0.6
65.03940	0.5
65.12599	0.2
67.05509	4.7
68.05038	2.3
69.03425	0.5
69.07062	1.1
70.06595	9.2
71.04956	0.3
71.57111	0.3
79.05505	3.8
80.05016	0.9
80.06277	0.4
81.03407	0.5
81.07059	3.9
82.06564	0.5
83.04948	0.4
83.08642	0.5
84.08108	0.4
85.06526	0.5
86.06051	0.3
91.05030	0.3
91.05492	2.1
92.04975	0.3
93.05803	1.3
93.07053	2.9
94.06573	1.4
95.04955	0.5
95.08614	2.1
97.06533	0.6
98.06065	0.3
98.97595	0.6
100.07625	1.8
105.07050	1.5
106.06557	2.9
107.07348	0.4
107.08613	1.2
108.08122	2.3
109.06560	0.3
109.10123	0.5
114.05535	4.1
117.07009	0.9
118.06541	0.8
119.07331	0.5
119.08547	0.9
120.08122	4.0
121.08900	0.3
121.10143	0.6
122.09677	0.8
127.64346	0.3
128.07101	1.9
129.06979	0.2
131.08539	0.6
132.08125	0.6
133.08881	0.8
134.08665	0.5
134.09665	8.2
135.08102	0.3
135.10428	1.3
136.07611	0.4
136.11220	0.3
137.04724	0.3
138.05611	0.3
140.07051	0.5
145.10155	0.4
146.09631	1.0
147.04417	0.4
147.11668	0.4
148.11217	7.7
149.12001	0.3
149.13281	0.5
152.07072	0.5
152.10686	0.5
154.08620	0.9
159.11679	0.3
160.11205	0.5
161.11984	0.3
162.12830	0.4
164.05685	0.4
164.07063	6.7
165.07904	0.4
166.08669	0.7
177.07814	0.3
178.08626	2.8
179.09364	0.9
180.10202	15.6
192.10176	0.6
193.10957	0.7
194.08130	0.7
194.11765	1.1
231.17349	0.3
258.18488	1.8
265.08337	0.3
274.18036	0.3
276.19571	8.7
290.09152	0.4
302.17438	1.2
304.19077	16.9
307.09210	0.2
322.20129	100.0
323.12750	0.3
323.20560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01870	9.7
55.05500	5.6
55.15012	1.7
56.96564	2.8
57.03435	6.2
59.38508	1.8
60.83206	1.6
65.50046	1.6
67.05495	6.9
69.03422	7.9
69.07069	4.5
70.06603	2.4
70.86990	3.3
71.01358	2.2
71.31368	1.7
79.05493	20.9
81.03392	2.1
81.07059	29.0
83.01373	2.2
83.04970	3.5
84.08150	2.3
85.02902	5.0
85.44316	1.8
86.09705	2.3
91.05485	15.7
93.07036	14.8
95.01341	10.6
95.04959	6.1
95.08622	2.3
95.32464	1.7
97.02887	1.7
97.06538	17.8
98.97578	2.9
103.05468	4.2
105.07022	3.9
107.04948	7.6
107.08556	2.9
109.06514	20.1
109.10098	2.9
111.04453	1.8
111.08087	3.6
113.02341	2.8
116.10728	8.7
116.98599	2.9
117.07014	3.6
119.04929	6.9
119.08574	9.9
120.08071	1.8
121.06490	26.9
123.04408	3.4
123.07988	3.4
125.02264	1.9
125.05998	3.1
130.08665	2.1
131.04950	3.2
131.08563	4.7
133.06512	2.8
135.04395	2.2
135.08026	8.1
137.05984	35.6
137.09602	1.9
139.03888	8.4
139.07539	3.5
141.01805	2.4
145.06468	3.0
147.04396	5.6
147.08069	10.6
149.05991	31.8
150.12762	4.6
153.05339	2.1
153.09114	2.6
155.07097	2.4
157.46487	1.6
161.58197	1.6
163.03882	2.1
163.07547	14.2
165.09119	16.7
167.07008	5.3
173.06007	2.2
175.07607	2.4
177.05511	2.7
179.06996	1.7
181.08582	7.0
183.10168	6.1
191.07013	15.0
193.08585	11.8
195.06544	3.2
195.12563	4.2
197.04422	4.0
209.08119	27.7
211.09677	13.9
219.06541	5.8
225.07553	3.8
227.09210	4.9
237.07518	17.7
251.09172	10.0
255.08647	100.0
269.10181	15.9
273.09619	16.9
281.06879	3.2
322.20026	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28786	0.9
53.03943	2.0
54.58723	0.8
55.01877	4.8
55.05501	4.2
56.96557	3.2
57.03439	7.2
57.20388	1.1
64.13987	1.0
65.03924	2.1
67.05497	7.9
69.03429	8.6
69.07066	6.0
69.36138	7.8
70.06586	4.0
71.01343	2.2
71.04988	1.7
72.08158	2.2
72.61472	0.8
73.02900	1.6
79.05498	23.6
81.03407	2.9
81.06588	1.7
81.07057	33.5
83.01329	1.1
83.04982	3.1
84.08138	5.4
85.02898	9.5
85.06494	1.0
86.09709	2.9
91.05484	14.1
93.07049	11.0
93.63124	1.2
95.01337	8.9
95.04962	7.8
95.08594	3.5
97.02924	4.9
97.06537	17.2
98.97539	1.9
99.08157	1.4
101.02399	1.4
103.05458	1.3
105.07005	5.9
107.04980	4.9
107.08603	5.7
108.08868	1.3
109.02866	1.5
109.05792	1.5
109.06519	20.1
109.10143	2.4
111.00790	1.6
111.04433	2.6
111.08052	2.4
112.08630	1.0
113.02362	3.3
116.10732	7.8
117.07021	4.2
119.04922	5.8
119.08604	10.6
120.08162	1.6
121.02833	1.6
121.06499	6.3
121.10117	2.1
123.04434	4.1
123.08044	2.7
125.02356	1.6
125.05969	5.6
129.01787	1.2
129.07002	3.0
130.08655	12.2
131.04913	1.4
131.08595	4.6
133.06442	2.2
133.10164	1.1
135.04381	1.7
135.08052	5.8
137.06012	6.2
139.03917	9.3
139.07549	2.3
141.01836	2.3
141.05437	2.7
143.03288	1.2
143.07024	1.1
143.08577	1.1
145.06512	2.4
145.10129	1.3
147.04373	3.4
147.08046	9.6
149.05956	5.6
151.07533	2.8
153.05476	1.3
155.07024	3.8
155.10571	1.6
159.02940	2.1
159.11743	0.9
161.06018	1.9
163.07529	8.8
165.05444	1.5
165.09116	17.8
167.07074	2.4
173.04439	1.8
173.05972	3.0
173.11740	2.4
175.07568	3.6
177.05481	2.1
179.06972	1.9
181.04997	1.2
181.08580	6.7
183.10162	3.9
191.06992	5.7
193.08614	19.9
193.12389	1.0
196.73416	0.9
197.04424	7.2
199.09644	12.2
200.09743	0.8
200.20148	1.0
201.03841	1.2
205.12288	1.0
208.90205	1.0
209.08107	10.0
209.11632	1.2
211.09657	15.3
219.06389	1.3
225.07538	1.1
227.09096	8.4
237.07600	6.4
241.10823	1.4
248.08365	1.0
251.09334	1.1
251.12775	1.7
255.08649	100.0
262.15222	1.9
263.10529	1.3
269.10217	5.6
273.09625	6.3
277.00247	1.2
287.11185	2.5
291.10056	2.2
304.17590	1.4
308.10541	1.1
322.20013	4.7
322.25583	1.2
323.12714	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	322.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.96568	49.0
67.05487	0.5
70.98125	40.0
71.00937	1.0
71.01300	0.5
71.95245	1.5
72.96034	0.6
74.97591	0.7
78.46325	0.4
78.80850	0.4
81.07055	0.5
83.04987	0.7
84.96043	1.0
88.99162	7.4
92.67258	0.4
93.07037	0.8
97.99184	0.5
105.00127	1.0
105.06992	0.4
107.00202	0.9
109.88839	0.4
110.97601	0.6
112.00702	0.7
115.00679	1.6
119.01671	0.6
123.01234	0.5
127.00703	1.2
129.02238	0.8
133.01692	0.6
137.02763	0.8
139.00658	1.8
140.76534	0.5
141.02229	4.9
145.01616	0.5
147.03307	1.0
151.00665	1.2
153.02213	3.8
155.02635	0.6
155.03796	8.0
157.01779	0.8
159.03314	4.1
167.03821	2.8
169.01755	1.9
169.05363	7.5
171.03319	3.8
173.04874	11.9
177.04379	0.6
181.05441	0.6
182.04851	0.7
183.03311	1.2
183.06958	0.4
185.01212	0.7
185.04886	3.5
187.02882	1.1
187.06424	14.0
189.04298	1.1
191.04254	0.6
191.05908	3.8
193.05394	1.2
195.06926	1.2
196.06474	1.1
199.02809	0.8
201.04260	0.7
201.06276	0.5
201.07916	2.3
203.02544	0.4
203.05869	0.5
203.07498	0.6
205.07399	3.1
207.06966	0.8
209.08498	0.4
210.08040	0.9
211.06435	1.6
213.07991	2.2
219.07111	0.8
219.09151	1.8
221.08537	3.7
223.10065	28.5
225.08028	1.0
225.11555	2.6
229.07487	1.0
237.07964	2.5
239.09608	3.3
241.11118	19.7
243.12738	0.8
249.07957	0.7
253.07492	1.7
255.09160	3.3
255.12646	1.8
259.12170	1.8
264.12744	2.9
267.09088	2.8
269.10614	2.2
273.10114	1.9
273.13678	0.5
281.10605	18.2
285.10153	1.6
287.11664	2.0
289.17749	0.5
290.18185	1.5
299.11670	100.0
300.11978	0.8
310.13193	0.5
317.12723	37.4
322.13248	12.0
323.13715	0.6
340.14243	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78581	0.6
51.75272	0.7
53.03939	1.9
55.01877	6.2
55.05513	24.8
57.03183	1.1
57.03437	11.0
59.05000	0.7
65.03952	1.0
67.05505	18.6
69.03429	2.7
69.07071	6.1
69.26797	1.9
69.27205	4.2
71.05002	1.1
79.05064	1.3
79.05498	20.5
81.03417	2.3
81.07059	14.7
83.04988	20.5
83.08613	9.1
85.06535	1.1
91.04967	1.1
91.05486	14.3
91.06016	1.3
93.07045	13.7
95.04967	4.4
95.08616	6.7
97.02911	0.8
97.06525	2.2
97.10174	20.2
98.20745	1.0
99.04434	1.9
99.08118	0.7
103.05428	0.8
105.07037	10.7
107.04959	6.9
107.08598	17.0
109.06519	4.7
109.10169	6.2
111.04445	1.5
111.08089	2.1
111.74055	0.8
115.05462	1.6
115.51149	0.7
117.07018	8.6
119.08578	22.5
121.02916	1.0
121.06510	4.8
121.10155	3.1
123.04424	1.4
123.08057	2.7
125.05998	3.4
125.09644	17.2
129.07014	2.2
131.04939	1.7
131.08585	6.5
132.05682	0.8
133.06474	3.5
133.10139	4.5
135.08049	14.4
135.09000	1.3
135.11661	1.9
137.05949	1.3
137.09564	4.7
139.07590	0.7
140.83437	0.8
141.06995	1.9
143.08591	2.6
145.06458	3.5
145.10135	6.0
147.08017	3.9
147.11708	1.7
149.05956	1.0
149.09622	5.0
151.07584	4.1
151.11188	1.3
153.09106	7.5
154.97821	0.7
155.08586	2.1
157.10196	1.6
157.12233	1.3
159.08060	20.9
159.09390	1.1
159.11703	2.5
160.08807	1.1
161.09604	4.3
161.13293	1.7
163.07578	5.9
163.11169	2.3
169.10126	1.7
171.08058	0.8
171.10268	1.1
171.11751	1.9
173.09625	4.3
173.13303	1.0
175.11198	1.6
177.09122	3.5
177.12776	1.4
183.11711	1.0
185.09654	2.0
187.11180	2.3
187.14876	1.1
189.11200	0.8
189.12732	1.5
191.10706	1.7
193.12141	1.0
197.09618	0.8
197.13310	1.0
199.11195	1.3
203.12773	11.1
205.15730	1.0
211.11279	0.8
215.14232	3.3
217.12285	0.7
225.16389	2.7
233.15369	6.6
235.14775	1.0
243.17407	2.2
253.15874	4.6
261.18478	4.9
271.16928	19.1
289.17987	100.0
290.18375	1.0
303.19589	2.7
303.23145	1.1
307.24384	0.7
321.20667	15.1
321.24216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2062
Annotation	Ubiquinol
Peak:m/z	Relative Intensity
51.99183	1.3
53.03934	2.9
55.01876	13.5
55.05265	1.4
55.05511	20.2
57.03189	1.3
57.03436	16.6
58.47756	1.1
65.03938	1.8
67.05168	1.7
67.05507	18.6
69.03423	6.0
69.07069	14.7
69.94285	4.0
71.04996	11.6
71.32844	1.1
79.05495	21.9
81.03415	4.9
81.07059	21.4
83.01325	2.2
83.04979	11.3
83.08615	9.6
85.06541	2.5
90.75028	1.2
91.05482	19.3
93.07051	17.9
93.81393	1.1
95.04964	14.1
95.08607	8.4
97.02887	1.3
97.06535	14.7
97.10169	12.2
99.04455	1.6
103.05519	1.4
105.07034	14.6
107.04951	21.2
107.08601	16.4
109.02904	2.4
109.06540	9.2
109.10143	5.4
111.04457	6.2
111.08076	3.2
115.05453	2.3
117.07032	11.3
119.04892	1.5
119.08575	9.1
121.06509	15.6
121.10136	5.0
123.04423	3.7
123.08057	7.4
125.05975	2.9
125.09641	13.0
129.07039	4.2
131.04823	1.3
131.08569	9.4
133.06485	5.4
133.10130	8.1
135.08047	16.1
135.11684	2.5
137.06009	2.1
137.09596	4.0
139.07486	1.7
139.11209	1.7
141.06996	1.8
143.08575	3.0
145.06474	5.3
145.10106	7.7
147.08057	4.8
147.11690	4.0
149.05991	4.3
149.09653	8.3
151.07559	2.2
153.09122	4.7
155.08556	1.4
157.10141	2.6
159.08084	8.3
159.11713	4.3
161.09644	7.0
163.07550	70.4
163.11195	1.8
165.09102	3.4
169.10146	1.5
171.07945	1.3
171.10304	1.4
171.11685	2.9
173.09639	5.6
173.13362	1.5
175.11172	6.8
177.09142	8.9
177.12752	2.5
179.10677	1.2
181.09943	1.4
183.11650	1.4
187.11205	2.2
190.25507	1.3
191.10692	6.0
193.12260	2.6
201.12781	2.3
203.12773	19.7
205.15994	1.4
215.14275	2.5
215.17970	1.5
217.12277	1.2
219.13794	25.8
225.16331	2.1
229.15997	1.5
233.15337	19.6
243.17410	5.7
246.37772	1.7
251.16415	7.5
253.15884	3.7
261.18439	6.7
271.16946	15.3
289.17990	100.0
303.19553	2.7
321.20615	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	2.3
55.05513	20.6
57.03432	1.9
59.05003	1.4
60.88128	1.2
65.74578	1.0
67.05510	9.4
69.03429	1.6
69.07053	2.9
69.22485	10.2
79.05492	10.9
81.07063	9.6
82.67506	1.0
83.04960	3.6
83.08634	11.2
85.06544	1.2
91.05480	15.1
93.07033	7.5
95.04973	1.9
95.08617	4.1
96.02821	1.1
97.10172	22.4
98.20696	2.2
103.05447	1.3
104.06257	1.7
105.07043	4.2
107.04996	1.0
107.08585	10.8
109.06488	2.3
109.10158	2.4
111.08089	2.7
114.90256	1.1
115.05464	1.5
117.07020	9.8
119.04894	1.4
119.08588	100.0
121.10184	3.0
125.09640	23.2
129.07013	2.6
131.08577	4.5
133.06483	3.4
133.10101	2.6
135.08069	13.7
137.09595	1.3
144.05701	2.0
144.31940	1.1
145.10110	4.1
147.08051	6.0
149.05969	1.3
149.09497	1.4
153.09105	4.1
157.10178	2.6
157.12201	1.6
159.08066	52.6
159.11652	1.5
161.09610	3.1
169.10124	3.2
171.11613	1.4
173.09671	8.4
175.07477	2.7
175.11218	1.6
185.09557	2.0
187.07478	1.3
187.11169	1.1
197.76024	1.2
203.12807	17.3
225.16354	2.6
235.14815	2.6
238.53920	1.1
243.17426	2.2
253.15840	8.6
261.18442	1.2
271.16919	22.4
278.98114	1.0
289.17953	14.1
303.19559	6.6
303.22845	1.7
321.20508	3.6
321.24152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.0
55.05499	13.5
57.03436	48.8
67.05508	24.7
69.03405	4.8
69.07052	7.1
70.29240	13.7
70.67735	3.9
71.04961	5.4
74.93912	3.8
79.05497	29.8
81.07060	26.2
82.29489	3.8
83.04975	11.6
83.08627	3.5
90.95645	3.6
91.05493	25.4
93.07047	24.8
95.04961	7.4
95.08601	15.9
97.06520	7.9
98.21429	4.6
103.05477	4.6
105.07037	22.6
107.08573	12.5
109.06509	8.0
109.10168	8.3
111.04433	7.9
115.05475	3.8
117.07008	12.3
119.08582	13.4
121.06518	5.8
121.10115	7.6
125.06021	4.4
131.08566	18.1
133.06485	12.8
133.10077	9.7
135.08034	6.2
137.05875	3.6
137.09683	4.8
139.18913	3.4
140.21460	3.8
143.08586	7.5
145.06448	9.4
145.10112	5.4
147.08044	8.3
147.11642	5.9
151.07542	19.8
151.11169	4.3
156.53267	3.9
159.08037	5.6
159.11740	7.1
161.09605	4.8
163.07561	12.2
173.09610	5.7
187.14861	8.4
197.13249	7.3
205.15948	7.4
215.14377	10.9
233.15341	40.3
243.17477	13.5
244.10811	4.2
253.15862	4.8
261.18521	11.5
271.16992	35.5
289.17990	100.0
289.21222	7.1
321.09604	4.1
321.20715	32.7
321.23895	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	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03790	4.2
52.82303	3.8
53.03939	8.3
55.01865	13.2
55.05510	44.0
57.03424	23.1
67.05505	51.2
69.07062	21.4
79.05494	55.2
81.03432	8.1
81.07060	42.3
83.04987	62.7
83.08617	21.1
85.06566	6.0
85.24761	4.3
91.05491	47.6
93.07036	53.0
95.04951	10.9
95.08611	58.9
96.16554	4.2
97.02877	14.2
97.06516	6.7
97.10166	12.6
99.04447	7.6
99.72699	4.4
105.07032	40.8
107.04974	28.2
107.08589	32.0
109.02866	10.7
109.06511	14.5
109.10146	13.5
111.04443	42.9
111.08060	18.2
116.25899	4.4
117.07020	15.7
119.08601	30.7
121.06492	6.9
121.10156	19.1
123.08059	8.6
125.09595	15.9
129.06999	8.9
131.08524	30.0
133.06474	7.8
133.10133	20.2
135.04430	4.2
135.08054	18.2
135.11705	5.1
137.06009	6.6
137.09616	5.5
139.07582	9.6
143.08511	10.2
145.06439	6.9
145.10132	18.0
146.93382	4.0
147.08043	19.9
147.11671	8.2
149.06012	7.7
149.09608	42.8
153.09061	6.8
157.08698	4.1
157.10144	7.8
159.08044	14.1
159.11702	14.5
161.09592	18.2
163.07483	9.7
163.11230	4.9
165.09128	19.9
169.02664	4.1
169.10202	6.6
171.11711	9.3
173.09654	14.3
174.88342	4.6
175.11162	11.9
177.09117	13.1
177.12738	9.3
179.10687	5.5
185.13322	4.5
187.11218	5.9
187.14870	7.1
189.11214	16.6
193.12305	5.5
197.13213	7.7
203.10773	5.1
203.12692	8.4
205.12346	5.4
205.15840	6.7
215.14139	7.3
225.16432	8.9
233.15378	18.0
243.17421	26.8
253.15974	7.8
261.18521	49.4
271.16943	44.0
289.17978	100.0
303.19522	42.2
306.29675	4.7
321.20856	21.6
321.24155	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Hericenol A
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	5.1
55.05514	40.6
56.96573	3.4
57.03436	6.6
59.05002	1.8
67.05515	23.6
69.03424	5.3
69.07060	7.5
69.34173	10.4
71.04994	1.4
79.05499	25.8
81.03414	2.2
81.07058	23.2
83.04987	7.8
83.07847	1.2
83.08627	21.8
84.96035	4.4
85.02912	2.7
85.06537	2.6
91.05482	24.3
93.07049	16.5
95.04957	3.2
95.08629	10.2
95.50047	1.3
97.06521	1.9
97.10176	34.7
98.97572	2.8
103.05455	1.3
104.06223	1.7
105.07026	10.8
107.04969	4.5
107.08599	23.2
109.02851	1.4
109.06516	5.2
109.10171	7.1
110.97594	1.4
111.08060	3.3
115.05432	2.5
117.07008	14.9
119.04950	3.3
119.08588	86.5
121.06507	5.3
121.10147	3.1
123.04536	1.9
123.08073	4.4
125.09642	36.1
128.06219	2.4
129.07010	6.9
131.08559	5.2
132.05676	2.8
133.06494	4.8
133.10147	8.1
135.08067	21.0
135.11760	2.4
136.99243	1.3
137.06044	2.0
137.09615	6.6
141.09238	1.4
143.08623	4.2
145.06534	3.2
145.10158	9.1
147.06929	2.3
147.08052	33.9
147.11696	2.5
149.09621	2.2
153.09079	6.4
155.08571	2.1
157.10150	12.1
158.99698	1.7
159.08064	51.4
159.11702	4.8
159.39545	1.3
161.09633	6.7
163.07552	4.0
169.10126	5.1
170.99702	1.6
171.11671	3.1
173.09616	14.9
175.07579	1.9
175.11272	1.9
177.12852	1.9
183.11737	1.8
187.11189	2.7
197.13399	1.5
203.12790	20.8
205.12303	1.6
206.10818	1.4
209.13306	1.8
211.11197	1.8
220.87761	1.4
225.12769	2.0
225.16460	6.5
231.11395	7.4
233.11729	2.9
235.14842	3.0
240.11998	4.3
243.17543	5.7
253.15906	8.2
261.18536	7.9
271.16928	27.6
289.17996	100.0
298.10501	2.2
303.19547	26.8
321.20645	13.3
321.24307	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.8
53.03942	13.9
55.01883	14.3
55.05513	47.9
56.96567	4.6
57.03237	2.1
57.03440	23.7
65.03930	4.1
67.05177	3.9
67.05506	55.0
69.03419	9.8
69.07075	17.1
69.84442	5.1
69.84883	11.3
71.04987	6.4
79.05497	65.5
79.05957	3.9
81.03417	12.3
81.07063	58.5
83.04974	27.8
83.08621	24.3
85.02918	2.8
85.06535	4.9
90.85052	2.3
91.05489	77.4
93.07047	99.4
95.04968	32.7
95.08607	35.5
97.06522	10.9
97.10167	36.5
99.04434	4.4
99.08070	2.9
101.50206	2.7
103.05463	15.2
105.04549	5.3
105.07034	44.0
107.04958	75.9
107.08602	37.9
109.02863	4.4
109.06513	15.6
109.10175	17.3
111.08076	6.6
115.05448	2.9
117.07021	23.9
119.04964	4.2
119.08581	35.7
121.02869	9.2
121.06510	83.2
121.10159	14.3
123.04446	4.5
123.08062	12.9
125.09630	35.3
128.06227	2.7
129.06992	11.4
130.51689	2.4
131.04913	7.6
131.08588	23.0
133.06491	23.2
133.10115	21.3
135.08069	30.7
135.11652	5.7
137.06010	4.5
137.09619	13.6
141.06975	4.4
141.09029	2.5
143.08553	11.2
145.06458	9.3
145.10153	16.6
147.08055	14.2
147.11697	9.9
149.09669	14.5
151.07559	11.3
151.11214	12.3
153.09100	11.1
155.08638	5.6
157.06549	3.2
157.10136	9.3
158.89267	2.5
159.08061	16.5
159.11685	5.1
161.09662	11.9
161.13327	4.1
163.07550	20.9
163.11217	5.0
165.09138	5.1
167.10780	2.6
169.10136	5.5
171.10411	2.6
171.11690	13.2
173.09622	15.1
173.13295	3.4
175.11188	2.7
177.09129	9.6
179.10709	4.1
183.11713	5.2
183.13809	2.8
187.11174	7.0
189.11137	3.1
189.12750	5.8
191.10661	5.8
193.12119	4.9
199.11200	9.4
203.12837	16.5
215.14255	5.1
215.17616	2.4
217.12260	7.4
221.15283	3.0
225.16437	7.0
229.07407	2.5
231.13899	3.3
233.15352	8.7
243.17484	6.5
245.07285	2.4
249.14908	4.4
253.15823	7.7
261.18616	14.3
263.16165	2.5
271.16940	33.7
284.99866	2.6
289.17984	100.0
303.19510	16.1
321.20663	52.0
321.24292	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	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
55.22247	0.5
56.18006	0.5
60.04505	0.5
67.05502	1.4
69.07072	0.7
71.42957	0.5
79.05504	1.5
79.78773	0.5
81.07070	1.7
86.09709	100.0
91.05486	1.8
93.07056	1.8
93.35245	0.5
95.01332	0.5
95.08595	1.1
97.06543	0.6
103.05481	4.1
105.07041	1.6
107.04948	1.3
107.08589	1.2
109.06546	0.7
109.10162	1.1
109.12022	0.4
119.08575	0.6
120.08111	99.7
121.10152	0.6
123.08087	0.6
123.11687	0.5
128.10721	50.4
131.04913	1.8
133.10129	0.9
137.05969	0.6
147.04436	0.9
147.11737	0.8
149.05994	1.7
156.10207	17.0
157.10115	0.6
166.08650	63.2
173.13058	0.5
175.52911	0.5
271.13116	0.5
303.15894	0.6
321.16989	1.0
321.20633	0.5
322.20026	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	321.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73257	0.6
55.05502	2.7
56.96564	3.3
57.03438	1.3
59.00899	0.6
60.30101	0.6
63.94087	0.6
67.01254	0.6
67.05505	2.7
69.03442	1.1
69.07064	2.0
69.79111	3.5
79.05499	3.6
81.03411	1.9
81.07059	5.4
83.04974	1.4
83.08611	2.0
91.05491	2.7
93.07069	3.5
95.04968	1.6
95.08615	3.1
97.06523	1.8
97.10175	0.7
98.97604	1.5
103.47745	0.7
105.07027	2.9
107.04945	0.9
107.08601	3.1
109.06502	0.9
109.10112	1.5
111.04465	0.9
115.05496	0.8
116.98601	0.9
119.08585	2.5
121.06518	1.0
121.10161	2.0
123.08071	4.5
125.09591	1.3
131.08560	1.0
133.06508	0.9
133.10141	1.5
135.08028	1.1
145.10088	0.8
147.08038	0.9
147.11710	0.9
147.39299	0.7
149.09721	1.6
151.07547	6.9
159.08020	1.2
159.11708	1.1
167.73645	0.7
175.11382	0.7
189.12784	2.7
193.12201	2.2
194.12555	1.0
207.13771	5.5
210.01961	0.7
226.15207	0.9
233.15562	0.9
237.07942	0.8
238.09988	1.1
272.14102	2.3
281.10504	0.8
283.13974	0.9
284.10547	1.1
289.18085	1.5
298.11896	2.0
299.11685	1.2
316.13062	4.1
321.16766	100.0
321.20544	7.6
322.16931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86594	4.2
55.05505	14.9
56.96578	30.9
57.03415	6.4
59.04998	7.6
67.05511	28.6
69.03402	4.4
69.07061	12.2
71.04994	4.5
71.56662	5.0
71.95258	6.9
79.05518	21.9
81.03420	61.6
81.07060	28.2
83.04982	19.9
83.08607	26.3
84.91392	4.6
85.02880	6.4
91.05484	23.2
93.07035	19.9
95.04982	20.8
95.08595	13.9
97.02918	4.8
97.06549	7.4
98.97597	46.5
105.07035	17.2
107.04984	6.7
107.08597	14.1
109.06527	5.7
111.08059	13.1
116.98631	25.6
119.08583	16.9
121.10136	13.6
123.08049	10.6
128.98665	5.2
129.07045	10.2
131.08536	10.7
133.10129	15.9
134.99686	9.3
135.11670	8.1
147.04355	4.0
147.11674	15.9
149.09676	12.3
149.13313	4.2
155.07172	3.7
157.10164	13.0
163.11026	4.2
175.11168	19.8
193.10889	3.6
193.12251	100.0
199.06442	4.6
225.14879	92.7
237.08031	5.8
243.09084	5.1
255.08945	41.1
265.07196	5.6
267.08847	5.3
273.10004	9.9
279.09067	17.2
281.10620	8.0
297.10123	57.8
299.11581	9.6
315.11099	17.7
320.11737	7.6
320.22418	6.6
320.25848	38.1
321.16681	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.8
56.69234	3.2
56.96557	6.4
57.03436	8.4
67.05517	21.2
69.03423	6.3
69.07066	15.5
71.57246	6.0
79.05482	11.8
81.07065	56.9
83.08612	8.8
84.08117	3.6
90.05665	3.3
90.95701	3.8
91.05476	15.3
93.07037	14.6
94.07399	3.7
95.08607	20.1
97.06522	4.6
98.97604	4.9
104.34624	3.4
105.07027	24.3
107.08595	15.3
109.10123	5.7
119.08584	23.9
120.08082	3.6
121.10152	19.2
123.11716	26.4
131.08545	4.0
133.10097	3.8
141.60626	3.5
146.01244	3.6
147.04404	11.5
147.11690	53.5
157.10237	3.2
165.12764	21.1
183.13780	4.9
192.13841	3.9
193.12256	5.6
228.13826	4.3
229.14368	10.6
267.15897	39.5
285.16962	100.0
320.18530	7.9
320.22113	25.1
320.25665	13.3
320.28424	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	320.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40174	1.3
55.01870	2.1
55.05511	12.5
55.50546	1.5
56.05038	57.8
56.05826	1.7
56.96555	3.7
58.06601	2.6
60.04523	3.0
62.06079	4.4
67.05511	10.5
68.05036	3.8
69.07072	3.8
70.06594	61.1
71.04994	2.1
71.57146	2.6
72.04519	62.9
72.08140	2.2
73.02908	2.4
74.05713	2.3
74.06081	26.0
79.05482	10.4
81.03419	2.8
81.07056	12.1
82.06580	4.4
83.04981	3.2
83.08617	5.0
84.04506	2.8
84.08154	2.7
85.02909	2.9
85.05273	2.7
86.06072	10.6
88.07632	43.5
90.05562	2.0
91.05486	9.1
93.07056	10.5
95.04959	2.0
95.08611	6.7
96.08124	2.8
97.06532	2.7
97.08875	1.8
97.10157	3.7
98.06110	8.0
98.97594	3.2
100.07632	9.9
102.05550	30.4
105.07015	4.6
107.04966	1.8
107.08595	5.6
109.10159	4.0
110.06009	3.1
110.09663	3.2
112.07616	1.7
114.09165	5.6
116.06329	3.1
116.07095	39.2
116.07839	3.0
119.04982	2.7
119.08583	6.0
121.06554	1.7
121.10143	9.4
122.09668	1.9
123.08086	3.2
125.09657	1.6
128.07066	3.4
131.08560	4.3
136.11200	5.2
137.09659	2.7
140.14325	2.7
146.08156	2.5
146.12526	2.1
147.04395	8.8
147.08081	3.0
147.74649	1.9
148.04742	2.0
149.09602	4.2
150.12842	2.7
155.63232	2.0
158.11807	5.6
158.99677	2.6
165.09122	2.4
168.13840	2.2
178.12328	3.0
189.36177	1.6
190.05847	2.0
193.12297	1.9
196.13287	7.9
198.14896	11.8
200.12764	2.5
200.16537	4.1
208.13374	4.7
210.14914	14.5
212.16389	3.9
214.14384	2.6
214.69386	1.6
226.14392	5.0
227.15154	2.9
228.15952	100.0
230.17503	46.4
240.16026	5.5
242.17511	8.6
247.14307	2.9
252.16011	3.6
258.17032	13.2
259.17859	5.8
263.63364	1.9
276.18073	43.7
284.18555	8.2
285.17126	1.9
302.14740	2.9
302.19760	4.1
319.67999	4.6
320.20718	98.8
328.26740	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	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03934	5.9
55.05519	15.7
57.07070	2.7
60.32768	1.3
65.03924	1.9
67.05507	36.0
67.05872	2.1
67.29697	1.2
69.07069	14.4
69.45429	4.9
69.45853	5.7
71.08622	1.5
73.06551	1.9
74.03645	1.3
75.87135	1.2
79.05498	67.6
79.05966	3.3
81.07063	46.7
83.04966	1.7
83.08616	7.0
85.06523	1.4
89.06033	1.3
91.05486	24.8
93.07048	100.0
95.04947	4.1
95.08614	33.9
96.18723	1.2
97.06536	3.3
97.10185	2.6
98.86357	1.2
105.04514	2.0
105.07030	12.9
107.08599	55.7
109.06526	3.0
109.10168	17.3
111.08062	2.3
117.06998	1.5
119.08579	11.7
121.10148	51.7
123.11682	3.3
131.08571	5.4
133.10147	9.1
135.11700	47.1
137.13203	1.7
139.11128	1.6
143.08614	1.5
145.10141	5.2
147.11691	6.4
149.09592	1.2
149.13258	33.5
151.11191	1.4
152.03551	1.3
159.11734	3.0
161.13318	3.0
163.11206	2.4
163.14832	12.6
173.13240	5.1
175.14803	2.1
177.16386	4.3
185.13292	1.9
187.14801	3.0
194.34363	1.3
259.20743	1.4
263.20102	2.4
269.22552	2.3
277.21454	1.5
287.23679	8.0
319.26340	69.2
319.29688	3.0
320.26489	1.7
337.08664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.9
56.96570	34.0
61.02932	34.0
69.03434	19.0
70.06586	15.7
70.90451	9.8
70.90797	13.4
71.26498	5.9
73.02922	12.7
84.08135	10.3
85.02905	24.0
86.09718	10.7
87.03658	7.1
89.19438	6.6
94.37753	7.1
97.02863	16.1
98.97601	21.8
101.00883	43.6
103.00650	10.5
110.01344	8.6
110.97565	9.5
113.00913	9.7
114.61823	6.9
115.02461	20.5
116.07095	7.9
119.01921	50.5
121.01679	11.1
128.98607	9.6
131.00171	17.5
131.01898	24.2
133.03484	51.0
143.01924	26.2
145.03470	16.8
146.99704	12.4
147.01424	8.8
147.03090	8.7
147.53249	12.4
149.01198	11.7
149.02959	16.1
149.04753	7.1
150.01784	7.4
151.04510	7.7
155.01862	6.3
156.03635	28.4
156.53766	17.1
157.03600	12.1
161.02910	24.4
169.03403	8.7
171.01434	12.5
173.02992	25.1
173.04768	11.1
183.02368	8.4
187.04594	7.5
189.02391	14.4
190.98782	7.1
191.04094	12.6
193.00250	8.3
199.00957	16.6
203.04018	13.5
204.09053	6.7
208.99687	11.3
213.03366	32.6
217.01921	26.0
217.03770	8.5
220.04291	12.4
221.05069	14.6
228.05736	8.5
228.55933	30.7
229.05850	10.2
231.03458	10.4
235.03021	18.7
237.06194	10.1
237.56476	17.6
245.01492	10.2
259.02994	19.5
259.06845	8.9
276.31406	7.4
277.04068	20.4
287.02493	27.9
293.05627	9.2
319.04782	13.5
319.07733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.9
56.96570	34.0
61.02932	34.0
69.03434	19.0
70.06586	15.7
70.90451	9.8
70.90797	13.4
71.26498	5.9
73.02922	12.7
84.08135	10.3
85.02905	24.0
86.09718	10.7
87.03658	7.1
89.19438	6.6
94.37753	7.1
97.02863	16.1
98.97601	21.8
101.00883	43.6
103.00650	10.5
110.01344	8.6
110.97565	9.5
113.00913	9.7
114.61823	6.9
115.02461	20.5
116.07095	7.9
119.01921	50.5
121.01679	11.1
128.98607	9.6
131.00171	17.5
131.01898	24.2
133.03484	51.0
143.01924	26.2
145.03470	16.8
146.99704	12.4
147.01424	8.8
147.03090	8.7
147.53249	12.4
149.01198	11.7
149.02959	16.1
149.04753	7.1
150.01784	7.4
151.04510	7.7
155.01862	6.3
156.03635	28.4
156.53766	17.1
157.03600	12.1
161.02910	24.4
169.03403	8.7
171.01434	12.5
173.02992	25.1
173.04768	11.1
183.02368	8.4
187.04594	7.5
189.02391	14.4
190.98782	7.1
191.04094	12.6
193.00250	8.3
199.00957	16.6
203.04018	13.5
204.09053	6.7
208.99687	11.3
213.03366	32.6
217.01921	26.0
217.03770	8.5
220.04291	12.4
221.05069	14.6
228.05736	8.5
228.55933	30.7
229.05850	10.2
231.03458	10.4
235.03021	18.7
237.06194	10.1
237.56476	17.6
245.01492	10.2
259.02994	19.5
259.06845	8.9
276.31406	7.4
277.04068	20.4
287.02493	27.9
293.05627	9.2
319.04782	13.5
319.07733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3002
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
51.33626	0.4
55.05509	1.4
56.05041	9.1
56.24213	0.4
57.07081	5.6
58.06598	4.7
60.04529	22.5
67.05499	2.1
68.05030	0.9
68.53683	0.4
69.03416	0.6
69.07060	2.0
70.06590	1.1
70.15729	1.9
71.08639	3.0
74.06082	8.0
79.05484	1.0
81.07059	1.8
82.06535	0.5
83.08612	1.3
85.02887	1.0
85.10172	1.7
86.06081	1.0
88.07632	27.2
93.07032	0.6
95.08611	1.2
98.21560	0.5
102.09187	0.7
102.79346	0.5
104.07087	0.5
105.06979	0.6
107.08659	0.5
109.10161	0.8
118.08656	4.7
122.08123	4.0
123.11688	0.5
136.93083	0.6
147.04385	2.2
154.94154	1.0
256.26431	2.6
264.26819	0.8
267.62241	0.5
270.27936	28.2
282.27890	3.6
291.06116	0.5
300.28983	5.8
318.30029	100.0
319.30432	0.6
327.26340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07359	1.0
51.35402	1.2
52.57452	1.1
55.01874	2.7
55.93534	1.0
56.05038	2.0
56.96563	1.5
57.03424	5.3
57.57768	1.0
58.63092	1.2
60.04512	2.1
61.02698	0.9
61.02933	11.0
62.72979	1.0
67.01171	1.3
69.03434	17.7
69.07059	1.7
70.06592	14.2
70.64863	2.7
70.65195	1.6
71.04989	2.5
72.08154	11.5
73.02894	4.1
73.08485	2.6
79.05503	1.6
81.03410	6.8
82.45338	1.1
83.32689	1.3
84.04494	1.7
84.08144	3.2
85.02908	100.0
86.09722	6.8
87.04467	3.4
89.10766	2.1
91.03949	5.9
91.05465	5.1
93.07040	7.4
95.04959	1.3
97.02895	22.2
98.09686	3.5
98.97556	2.3
99.04462	5.8
103.03938	1.7
103.05436	3.3
109.02867	8.6
115.03915	1.4
116.07079	1.4
119.04945	4.2
120.08083	2.3
121.06508	88.6
125.28524	1.1
127.03918	23.5
129.10248	1.8
130.06503	3.1
131.08575	1.8
138.05467	9.8
145.04962	43.1
145.06178	2.5
147.04407	9.1
148.04738	1.6
156.06567	2.2
156.10146	2.9
157.06551	1.5
159.08023	3.3
163.06097	6.7
163.07359	1.3
169.06462	1.3
173.12877	1.7
175.07478	1.5
179.07018	3.2
180.08665	4.5
187.07550	16.3
189.09131	1.6
201.09203	1.8
203.05055	1.7
205.08609	13.8
216.01361	1.3
218.97429	1.5
229.08574	5.2
235.09761	2.2
247.09642	5.9
265.10684	4.9
285.45377	1.3
300.18027	1.7
300.23624	2.6
318.12335	16.4
318.18842	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.17337	1.8
53.03942	2.2
55.01851	4.2
55.05507	13.2
57.07069	7.1
59.04984	5.0
60.04531	16.2
61.04853	3.3
67.05507	42.2
67.05871	2.5
69.03423	3.4
69.07056	7.0
69.29074	5.4
69.29512	9.3
71.04977	1.7
78.07667	1.6
79.05498	9.8
81.03419	2.9
81.07059	26.7
81.47826	1.5
83.04991	1.8
83.08601	2.3
85.06553	3.3
91.05477	13.0
93.07050	17.9
95.04972	20.7
95.08604	19.8
97.06525	6.6
105.07034	17.0
107.08593	39.9
109.06512	15.7
109.10156	84.0
111.08095	1.6
117.07013	3.7
119.08585	50.2
121.06499	6.6
121.10123	10.3
123.08086	22.9
125.05898	2.0
125.09647	2.2
125.22707	1.7
131.08594	7.9
133.06454	2.2
133.10164	9.5
135.08034	12.3
135.11687	4.1
137.05986	3.9
137.09616	66.8
142.07736	1.6
143.08551	6.3
145.10124	7.0
147.08049	5.3
147.11676	4.8
149.09636	5.3
151.07549	57.4
153.05453	6.1
156.09381	3.2
157.10179	3.2
159.08069	3.6
159.11728	3.9
161.09592	8.5
163.11168	4.9
165.09123	4.9
171.11729	4.8
173.09628	2.1
173.13354	2.2
175.11156	3.9
175.14944	2.1
177.09151	3.5
181.08595	6.7
182.10960	2.0
183.11816	3.6
189.12773	26.7
191.10686	3.3
192.11378	2.4
203.14275	3.0
207.13788	24.1
215.14355	3.0
219.13962	2.2
221.15407	4.4
233.15468	3.7
237.14926	5.1
243.13847	8.5
253.11157	5.2
256.26392	2.1
261.14908	4.1
271.12109	4.2
281.19000	3.7
281.26630	2.9
299.20117	11.4
299.27841	3.0
317.21127	100.0
317.28687	12.7
318.29977	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03929	1.7
54.59490	1.2
55.01859	4.3
55.05300	1.3
55.05515	13.6
57.07063	4.1
59.04990	4.7
59.05257	1.2
60.04504	1.6
65.03925	1.7
65.29667	1.2
67.05510	48.9
68.09465	1.3
69.03419	4.9
69.07055	4.5
69.77084	7.6
71.04986	4.8
79.05484	9.2
81.03393	1.7
81.07059	30.3
83.04977	4.2
83.08613	5.2
85.02879	1.7
85.06535	3.8
91.05477	18.5
93.07047	21.1
95.04977	24.0
95.08620	20.6
97.06543	9.4
98.20827	1.8
98.97569	1.3
105.07039	13.8
107.04971	2.1
107.08598	39.3
109.06511	17.6
109.10161	77.4
111.04449	1.2
111.08035	1.3
117.07013	4.9
119.08583	48.0
121.06515	6.6
121.10162	10.0
122.07289	1.9
123.08071	23.1
125.09632	2.2
126.08144	1.3
130.07863	1.6
131.08611	6.6
133.06432	2.7
133.10130	10.7
135.08064	9.9
135.11717	3.2
137.05991	3.6
137.09618	64.0
139.07503	3.3
142.07764	2.6
143.08559	5.3
145.10143	8.9
146.07195	1.7
147.08035	5.2
147.11681	5.4
149.09604	6.2
151.07544	58.5
153.05449	3.7
155.08559	1.5
155.10690	1.9
156.09315	2.7
157.10117	4.0
159.08028	3.6
159.11707	5.3
161.09657	10.6
161.13258	3.3
163.07515	2.6
163.11198	5.4
165.09154	6.4
167.07066	2.7
169.10129	1.4
171.11664	5.1
173.09644	3.3
173.13246	3.7
175.11209	4.3
177.09119	3.7
181.08621	4.8
181.10095	1.4
181.12253	2.5
185.13287	1.9
189.12747	23.2
197.11684	1.6
197.13251	3.0
199.11179	2.8
201.12714	1.9
203.14343	2.8
207.13817	27.8
213.12842	1.3
215.14349	5.4
219.13887	1.7
221.10912	1.4
221.15359	5.2
223.14876	2.4
229.19963	1.3
231.13866	1.9
233.15419	4.4
237.14793	6.6
241.15787	1.3
243.13889	8.5
256.26346	3.6
259.16891	2.2
261.14761	6.1
281.18982	4.3
299.20117	16.9
317.21118	100.0
318.30017	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	317.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32477	0.3
52.98769	0.4
53.26339	0.4
55.01841	0.5
55.05508	1.4
56.05017	0.8
56.96569	2.2
60.04520	1.8
61.26716	0.4
61.86921	0.4
67.05494	1.6
69.03423	1.7
69.06719	0.6
69.07074	8.3
70.02946	0.4
70.06593	6.0
70.67773	0.6
70.68119	0.6
71.05006	0.5
71.06917	1.3
72.08160	8.3
73.06556	1.1
73.08479	1.7
74.06091	0.7
78.22000	0.4
79.05479	1.9
81.03402	1.4
81.07059	0.9
83.04974	0.8
84.04514	1.4
84.08150	2.5
85.02908	1.9
86.09711	15.5
87.05584	1.1
87.10048	4.9
91.05476	1.0
95.04974	2.6
97.02869	0.5
97.06530	2.9
98.97591	2.5
107.08609	0.6
108.08099	0.5
110.07135	0.7
110.97592	1.0
111.04440	1.5
115.07553	1.3
116.07091	8.3
116.98631	1.4
117.07452	4.3
119.04913	1.0
119.18203	0.4
120.08085	0.8
125.06018	2.2
128.98579	0.7
129.10243	1.4
137.05960	0.6
139.03912	0.6
143.07039	9.8
146.99672	0.6
147.04413	2.6
147.11322	0.4
154.08624	1.4
155.06799	9.8
155.08954	1.8
158.99657	1.0
161.08102	6.5
171.14885	1.0
172.15248	1.4
173.12834	2.3
174.13193	3.0
177.00743	0.6
185.04236	8.1
188.12842	1.1
189.00748	0.6
199.14471	0.5
199.18150	1.1
200.14764	1.4
200.18408	1.9
201.12405	0.6
202.12596	0.9
203.05287	4.1
203.13872	0.6
204.14261	0.5
219.01826	1.1
219.44081	0.4
228.17940	1.9
233.65955	0.4
237.02846	1.4
239.02368	0.4
299.11160	1.5
317.12112	100.0
317.15430	5.8
318.12387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.96569	2.6
60.04527	1.3
60.72954	0.5
60.95848	0.6
65.03931	0.9
67.05518	0.9
69.03419	2.0
69.07082	3.0
70.06602	6.6
70.14173	0.9
70.14535	1.8
71.06921	1.6
72.06570	0.4
72.08155	5.1
73.02931	0.6
76.82214	0.5
79.05489	0.9
81.03418	1.4
81.07051	0.7
83.04954	0.5
84.04495	1.1
84.08149	3.4
85.02915	2.5
86.09713	5.8
87.05605	0.7
87.10038	1.8
89.10783	1.1
91.05479	4.8
93.07036	0.8
97.02906	1.4
97.06528	1.4
98.09707	2.4
98.21368	0.5
98.97591	4.0
99.04438	0.6
100.11290	0.7
107.04934	0.7
109.10120	0.7
110.07171	0.6
110.97561	1.6
112.99163	0.5
116.07104	8.2
116.98613	1.5
117.07455	3.2
119.04943	5.7
120.08128	1.2
127.03906	0.6
128.98540	2.6
129.10191	1.5
129.11078	0.6
134.99695	0.6
137.06018	0.7
143.00166	1.2
143.07025	1.7
146.99475	1.1
147.04419	20.4
148.04759	0.9
151.07552	0.6
152.98505	0.5
155.06805	7.9
156.83076	0.6
158.99684	0.7
160.05809	0.4
161.01266	0.6
161.08070	0.6
165.00455	0.7
170.99684	0.8
173.12842	2.3
174.13264	2.3
177.00746	0.6
185.04210	7.2
189.00578	0.6
201.12398	0.7
202.12637	0.5
203.05284	10.7
211.13312	0.8
219.01773	3.2
224.46255	0.5
226.58098	0.6
237.02876	4.9
238.18025	0.5
253.02126	1.0
256.19144	0.9
271.03171	1.3
271.10861	0.7
276.03613	0.7
289.04108	0.8
299.10690	1.1
299.23376	0.9
313.05896	1.1
317.12094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.58394	0.4
53.03949	0.5
53.69798	0.5
55.05513	4.9
56.05035	4.0
57.03442	0.8
57.07080	2.0
58.02959	0.6
60.04528	100.0
65.03944	0.4
67.05509	7.9
68.05028	0.6
69.07064	5.8
70.06606	0.9
70.73706	1.3
71.04977	0.6
71.08643	0.7
72.04508	2.2
73.02920	0.5
74.06062	2.3
79.05482	3.0
80.05036	1.2
80.58080	0.5
81.06592	0.6
81.07059	8.5
82.06599	1.4
83.04955	0.5
83.08627	3.9
86.06068	1.0
90.05550	1.0
91.05482	2.7
93.07066	2.8
93.90645	0.4
94.06597	0.8
95.04988	0.5
95.08031	0.9
95.08610	7.6
95.74677	0.4
96.08155	1.0
97.06567	0.5
97.10165	2.4
98.06087	0.7
105.07034	1.2
107.08608	2.2
109.10165	2.6
111.08118	0.5
111.11776	0.5
112.07698	0.6
119.08615	1.6
121.10171	1.5
123.08060	0.4
123.11734	1.2
133.10143	0.6
135.11711	1.2
164.65392	0.4
204.67332	0.5
212.23717	0.6
250.25391	1.6
262.25308	1.8
268.26404	0.6
280.26361	12.6
298.27451	15.1
316.28467	60.6
317.28723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.2
56.96551	1.3
57.07079	8.2
58.06588	0.5
60.04529	10.3
62.06089	0.3
63.10173	0.4
65.75457	0.3
67.05474	1.1
69.07070	0.7
69.71719	0.8
69.72130	1.5
70.06595	10.8
70.13972	0.3
71.08624	3.4
74.06078	0.4
74.09393	0.3
79.05486	0.7
80.72060	0.3
81.07039	1.1
83.08614	0.7
85.10184	1.7
88.07634	15.1
91.05470	0.5
92.62431	0.3
95.08587	1.5
98.20794	0.3
102.09187	2.7
105.07011	0.5
106.08668	10.7
107.08557	0.6
109.10138	0.5
119.08496	0.4
128.98581	0.4
133.10147	0.4
146.99669	0.4
172.11945	0.3
174.96112	0.3
272.29340	0.4
280.26382	1.6
298.27527	1.1
298.31018	4.9
316.16550	1.4
316.28696	5.3
316.32080	100.0
317.32242	0.8
334.17749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05513	1.9
56.05030	1.5
56.96344	0.3
56.96574	3.3
57.03437	0.9
58.06601	0.6
59.04997	0.3
60.04529	14.1
63.73442	0.3
67.05509	3.3
68.05029	3.0
69.03420	1.6
69.07078	3.3
69.72588	0.7
69.72999	1.2
70.06597	3.1
71.04996	8.4
72.04527	1.5
72.08146	0.5
73.02902	0.4
74.06070	0.3
80.05014	1.8
80.98144	0.3
81.03417	0.5
81.07065	4.7
82.06590	2.1
83.04993	0.6
83.08612	0.7
84.04464	0.5
84.08133	0.9
84.96017	0.4
85.02895	0.9
86.06067	1.4
86.09741	0.4
87.04471	0.5
88.04009	0.4
90.05582	0.7
91.05495	2.1
93.05795	0.4
93.07051	3.2
94.06576	11.5
95.04927	0.8
95.08607	3.8
96.08136	1.0
97.06554	4.4
97.10166	0.6
98.06046	1.2
98.06870	0.4
98.09715	0.5
98.20804	0.6
98.97593	2.3
99.08096	1.0
102.05537	0.4
105.07027	1.4
106.05029	1.4
107.08604	1.4
108.08099	1.0
109.06486	0.5
109.10170	2.4
112.07609	0.5
112.99119	0.5
116.07079	1.0
116.10738	2.9
116.98656	0.7
117.07000	0.4
119.04950	0.7
119.08578	1.4
120.08127	0.6
121.06514	1.8
121.10168	2.3
122.09640	0.4
123.11734	0.9
124.99135	1.3
125.09700	0.3
127.03867	0.3
131.00137	0.5
131.08585	0.5
133.10152	0.8
134.09674	0.4
135.04446	0.5
135.11740	0.4
137.13153	0.3
143.00169	2.7
145.02849	0.4
147.04437	1.8
147.11664	1.4
152.14349	0.6
155.13098	0.4
158.99731	0.7
161.01254	0.7
161.02385	0.6
163.03886	2.2
163.53520	0.3
165.12712	0.4
165.32741	0.3
167.03557	0.4
170.99571	0.5
173.02367	1.4
176.04185	0.5
177.00667	0.6
185.01256	1.4
189.00711	0.4
191.02180	0.4
192.17595	0.4
203.02223	0.5
212.20088	2.7
213.00633	0.4
215.07129	1.9
220.17033	0.6
224.20111	6.2
226.21654	0.4
231.01845	0.5
238.21597	0.7
242.21159	5.0
244.99779	0.4
245.05806	0.9
249.02841	1.1
250.21671	6.0
252.16052	0.5
252.23250	1.0
254.06335	1.2
254.21205	0.7
259.09720	4.0
260.09845	0.4
262.21677	8.7
263.06958	0.6
267.03848	1.7
268.04190	0.5
270.14615	0.5
270.24338	0.4
272.04453	0.5
272.20160	1.5
277.10922	0.6
280.22736	3.8
285.04953	1.1
290.05365	0.8
298.16577	0.9
298.23743	3.6
301.14926	0.8
316.21725	4.3
316.24860	100.0
317.25095	0.9
327.26376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.03961	0.3
55.05510	1.3
56.05054	0.2
56.23957	0.2
56.96557	0.6
57.07068	0.3
57.39040	0.2
67.05499	1.4
67.16206	0.2
68.05028	1.7
69.03429	0.2
69.07070	3.4
69.42567	1.9
70.06599	8.5
71.04989	0.6
74.02438	0.3
80.05004	0.3
81.07063	4.1
83.08618	0.7
84.08140	0.3
91.05482	2.6
93.07050	2.2
94.06543	0.4
95.08611	5.0
96.08131	1.0
97.06543	0.4
98.06069	0.4
98.20759	0.3
98.97581	1.1
100.07627	4.7
105.07037	16.0
107.08611	2.7
108.08138	1.4
108.08746	0.2
109.06499	0.3
109.10167	1.8
110.09707	0.3
114.05542	2.2
114.09177	0.7
115.05486	0.2
116.07100	0.8
116.98620	0.5
117.07018	1.5
119.08589	11.0
120.08108	0.5
121.10149	1.8
122.09686	2.3
123.11716	0.8
128.07088	5.9
129.07022	0.3
130.07793	0.5
131.08575	3.6
132.08078	0.4
133.10139	7.1
134.09641	0.4
135.11717	0.6
137.13237	0.5
140.07063	0.6
140.10712	0.6
142.08638	4.1
143.08525	0.5
144.53679	0.2
145.10130	7.5
147.04414	0.5
147.11694	4.2
148.11192	0.8
149.13210	0.2
151.06226	0.3
154.08644	3.1
157.10184	0.5
158.99594	0.3
159.11694	3.6
160.11253	0.4
160.12497	0.7
161.13290	1.1
163.03882	0.3
168.10210	16.2
171.11684	0.7
173.13277	2.2
174.12764	0.2
175.14832	9.7
178.08646	3.4
180.10197	0.7
182.11766	0.7
186.12682	0.3
187.14836	0.3
188.14334	0.7
192.10161	1.0
193.10954	0.5
194.11752	2.2
201.16396	4.9
202.15924	2.0
203.17976	0.9
214.15880	0.5
216.17560	0.3
228.17630	0.3
230.11594	0.3
232.13274	1.0
233.14105	0.4
234.14909	0.5
246.14888	0.9
247.15724	1.4
256.20663	1.6
260.16516	2.9
261.17252	0.3
272.16379	0.5
286.18033	7.4
301.20389	3.6
315.64716	0.3
316.22726	100.0
317.23132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
56.92122	0.4
56.96557	0.6
60.04512	1.1
67.05492	1.7
68.05025	2.2
69.07075	2.7
70.06247	0.7
70.06595	9.2
71.04991	0.6
77.35996	0.4
80.05008	0.5
81.03399	0.6
81.07069	3.9
82.06620	0.4
83.08608	1.1
91.05459	2.7
93.07047	2.7
95.08624	3.9
96.08128	1.2
98.97572	1.5
100.07623	5.5
103.05461	0.5
105.07038	16.7
107.08596	2.9
108.08119	1.1
109.10160	1.6
109.14761	0.5
109.91442	0.5
114.05543	1.9
116.07076	0.8
116.98666	0.9
117.07019	1.3
119.08588	11.6
121.10127	1.6
122.09664	1.7
123.11683	0.6
128.07071	6.2
131.08609	3.6
133.10133	7.0
135.11710	0.7
136.06158	0.9
140.07083	0.8
142.08649	4.7
143.08606	0.8
145.10109	6.5
147.04382	0.7
147.11710	4.7
148.11160	0.7
154.04970	0.8
154.08652	3.6
156.16165	0.4
157.10110	0.6
159.11658	4.0
160.12363	0.5
161.13232	1.0
165.07896	0.5
168.10210	14.9
173.13278	2.0
175.14838	9.9
178.08690	2.8
182.11832	0.8
187.14857	0.8
188.14235	0.7
192.10243	0.8
193.12360	0.8
194.11784	2.3
201.16414	5.5
202.15921	2.1
203.17964	1.3
214.15892	0.5
232.13309	1.0
234.14906	0.7
246.14923	1.5
247.15707	1.6
256.20618	1.0
260.16467	2.2
272.16537	0.5
286.18005	8.6
286.21069	0.8
301.20395	3.3
316.22733	100.0
317.23346	1.0
336.12195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
51.68904	0.3
53.03957	0.4
55.05511	2.0
56.05035	0.9
56.96567	1.3
57.03435	0.5
57.88628	0.4
58.06627	0.4
60.04525	7.3
61.02931	0.5
62.54274	0.3
67.05488	0.6
68.05054	0.5
69.03429	1.6
69.07073	4.9
69.86919	2.1
70.02951	0.8
70.06596	21.3
72.08158	23.7
73.02914	0.4
74.06107	0.4
75.03456	0.4
81.03432	0.8
81.07062	1.5
82.06577	0.4
83.75151	0.4
84.04520	1.8
84.08140	2.0
85.02896	1.7
86.09708	100.0
87.05590	4.2
88.03995	0.4
91.05487	1.5
93.07050	0.6
97.02872	1.4
98.21426	0.5
98.97595	1.6
102.05541	0.5
107.04899	0.4
108.08121	5.0
110.07111	0.7
112.08681	0.5
116.07095	53.7
116.98631	0.7
118.06562	0.4
118.08681	0.4
120.08076	0.5
123.06895	0.3
124.07594	3.1
127.03859	0.4
128.10699	2.5
128.98550	0.5
129.10246	1.3
130.06554	0.9
136.07607	2.3
137.08310	0.5
147.04361	0.6
154.08632	21.3
155.06807	0.6
158.99648	0.5
170.06310	1.6
171.14938	7.6
173.12866	22.6
185.04247	0.5
188.07060	0.7
199.14420	6.2
199.18063	20.6
201.12357	7.0
203.13914	6.6
217.15500	1.0
227.17537	12.8
229.15469	0.5
298.16428	0.4
316.14163	1.6
316.17795	0.8
316.21622	1.0
317.12115	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	316.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01864	1.0
55.05508	3.1
56.05029	1.8
56.45504	0.7
56.96569	5.0
60.04520	1.8
62.06082	1.8
64.85717	0.6
67.05503	3.9
69.03450	1.2
69.07068	3.1
69.58323	0.5
70.02967	0.6
70.06584	2.8
71.04980	1.0
71.07361	0.7
71.08638	11.6
71.57146	0.8
71.57549	0.7
72.08144	1.9
80.05027	1.6
81.03410	1.4
81.07063	5.5
82.06589	0.9
83.04973	1.4
83.08646	0.8
84.04511	2.3
84.08151	5.3
85.02911	6.5
86.06055	3.1
86.09707	4.9
87.04436	0.7
90.05584	0.7
91.05487	6.4
93.07054	14.0
94.06582	1.1
95.04966	2.7
95.07351	0.7
95.08614	17.4
96.08134	2.7
97.06533	7.6
98.06055	2.5
98.09715	5.0
98.97602	2.3
99.08109	4.0
103.05449	3.5
105.07069	0.8
107.04959	1.6
107.08636	1.6
108.08120	2.2
109.10178	0.8
110.09705	3.5
111.08102	1.0
116.07093	2.0
116.10739	20.0
116.98599	0.9
119.08533	0.8
121.06513	78.4
121.10155	1.4
122.09668	4.0
123.08093	1.0
123.10449	1.2
124.11239	1.1
124.99144	3.4
126.09180	2.4
135.11723	0.9
136.11227	4.3
140.10754	0.7
140.86407	0.8
142.12277	1.8
143.00177	4.6
143.10696	16.9
143.11807	1.5
145.10094	1.0
146.11794	1.9
146.88777	0.7
147.04437	4.3
150.12793	2.0
152.14352	29.4
154.15851	1.1
155.08386	0.8
158.99733	0.7
159.04434	1.1
161.01242	2.5
161.02397	1.3
163.03931	3.7
166.15843	1.0
173.02361	2.0
182.11766	2.6
185.01253	2.0
196.17012	3.7
200.10915	2.4
200.12831	71.3
212.16460	0.9
213.00809	1.2
214.18028	30.3
215.07053	4.1
218.11806	3.0
218.13898	8.9
231.01743	1.4
238.18066	0.8
242.15356	1.1
243.15479	0.7
245.05765	2.4
249.02782	2.1
254.06255	3.6
254.56412	0.9
259.09692	6.5
260.10013	1.0
267.03943	4.2
268.04257	0.9
272.04510	0.9
272.20135	87.5
273.20306	0.9
274.99573	0.7
277.10663	1.7
280.19156	0.8
285.04895	2.3
290.05569	1.1
298.16525	1.8
298.20135	10.8
298.23523	1.3
316.22803	100.0
317.23215	1.2
327.26355	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	316.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36496	0.4
53.54425	0.4
55.05507	1.7
56.05037	0.4
56.96575	0.7
57.03432	0.5
60.04531	11.8
67.05518	0.4
69.03410	0.6
69.07071	1.2
69.67064	2.8
70.02956	0.6
70.06596	45.7
71.06918	0.4
72.04522	0.5
72.08159	9.5
74.56481	0.4
81.07041	0.4
82.06599	0.4
84.04512	1.3
84.08159	3.0
85.02909	0.6
86.09712	49.0
87.05602	6.9
88.03985	0.7
91.05491	1.0
97.02908	0.5
98.97599	0.9
100.11267	0.5
102.05538	0.7
105.03389	0.5
110.07187	0.6
112.08701	0.5
112.11384	0.5
115.08690	0.5
116.07099	100.0
119.04923	0.6
119.08755	0.4
120.08143	0.5
128.10718	6.1
129.10266	0.9
130.04964	0.5
136.07564	0.5
143.11876	0.5
147.04424	3.1
153.27980	0.4
155.06856	0.8
157.09760	1.0
160.05647	0.4
171.14966	2.2
173.12869	42.6
176.72925	0.4
185.04262	0.7
189.00699	0.4
192.07185	0.4
199.14453	1.3
199.18051	2.6
201.12357	12.1
203.05286	0.6
219.01779	0.6
226.07803	0.9
227.17587	1.1
229.15524	1.3
237.02963	0.5
267.94650	0.4
281.07846	0.4
316.14395	0.7
316.18219	1.2
316.21222	1.1
317.12018	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	316.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05512	2.2
56.05042	3.2
56.96568	68.9
57.03427	5.5
57.93136	1.6
58.06581	1.5
61.02923	6.5
62.06078	1.8
69.03440	9.4
70.06599	21.0
70.78250	3.4
70.98123	34.9
71.05013	2.4
71.95282	2.7
72.08160	7.5
73.02923	9.8
74.97618	1.4
81.03425	3.4
81.07071	1.9
84.04504	5.3
84.08148	10.1
84.96035	3.1
85.02911	18.4
86.06091	2.0
86.09709	11.4
88.99182	10.1
91.05462	2.7
97.02889	10.2
98.96935	3.2
98.97586	63.9
101.00910	6.0
102.05541	2.2
103.02465	1.8
108.08132	2.2
109.02908	1.9
110.97584	9.7
116.02171	2.0
116.07066	9.6
116.98632	31.8
117.01909	2.0
119.01924	10.2
119.04969	5.9
120.01940	1.6
124.95518	2.6
124.99133	2.1
127.03928	4.1
128.98611	14.2
129.10254	3.6
131.00195	3.5
131.01884	4.0
133.03477	5.7
134.99675	11.6
136.06206	15.8
136.07596	21.1
137.02946	3.3
137.05954	2.0
141.01309	3.0
143.00183	2.2
143.01854	2.2
145.03532	3.5
145.04935	2.6
146.99644	13.5
147.04382	18.2
148.04840	2.3
149.03000	1.8
149.71227	1.5
151.80565	1.6
154.03885	4.2
154.08653	15.0
154.96492	12.0
155.08237	1.8
156.03419	2.2
157.03481	2.5
158.99664	6.9
160.02899	4.3
161.02975	6.8
163.04369	1.9
164.03331	1.8
165.00740	7.9
166.02942	1.6
169.03456	5.5
169.13374	2.1
170.96028	3.9
171.01334	2.0
172.94357	4.7
172.97588	54.2
172.99074	2.8
173.01312	1.7
173.02968	2.3
173.12907	2.3
174.04509	1.7
174.97733	2.1
175.97758	3.0
177.00758	6.8
179.00793	2.0
182.01518	2.3
182.03287	1.6
185.02893	2.2
186.04424	2.3
186.99144	3.4
187.04515	5.1
188.97081	7.6
190.98645	100.0
191.03989	3.2
193.00310	2.1
193.98785	2.7
197.02924	1.7
197.12891	2.3
200.97163	4.4
201.00795	2.3
201.99428	1.6
202.04085	1.5
202.98712	2.2
203.02339	1.9
204.02824	2.3
205.00232	8.8
205.01955	1.9
206.98155	3.3
208.96452	1.9
208.99704	16.7
211.04536	5.5
213.03432	4.8
214.00235	3.3
214.98662	11.3
215.04126	1.6
218.98161	27.8
219.01833	5.3
220.00426	2.7
220.02484	2.0
220.04994	2.1
220.06891	8.6
220.99745	4.8
221.01872	7.9
221.05013	2.4
223.01282	5.1
224.08179	3.1
226.02318	3.8
226.06001	7.1
229.05548	2.9
231.03426	2.3
232.99687	81.8
235.02953	2.4
235.06572	4.6
236.99173	8.4
237.02757	3.7
245.98598	1.9
247.01311	4.1
251.00745	48.6
251.03072	3.1
256.04929	2.1
256.96509	4.9
260.98935	1.6
269.01816	3.8
269.07657	1.6
269.57071	1.8
274.02313	1.8
274.09613	1.6
274.97528	35.2
275.00705	12.1
275.05930	10.8
291.98953	2.7
292.98526	15.6
293.01889	14.1
293.07285	1.7
311.06619	1.7
316.07996	12.1
316.13696	11.4
316.19006	1.8
334.10178	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.253
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.55037	2.5
52.26158	2.9
53.03924	3.6
53.63945	2.4
55.01866	9.1
55.05259	4.2
55.05512	48.5
55.25118	2.7
56.96566	13.7
57.03444	13.0
57.06813	4.1
57.07079	30.9
59.05003	3.3
60.04535	13.9
62.25233	2.5
67.05170	5.1
67.05510	63.3
69.07076	71.9
70.68196	7.2
71.04996	3.0
71.08632	17.1
71.95260	2.7
73.02914	4.6
79.05495	44.6
81.07060	64.4
83.04996	5.3
83.08627	57.4
85.06538	4.2
85.10189	10.5
91.05478	7.7
93.07056	51.2
95.08618	39.6
97.06538	32.1
97.10170	25.6
98.97574	14.6
99.08108	3.0
103.03934	4.3
105.07039	5.0
107.08602	42.8
109.10156	38.8
109.10831	4.1
111.08078	11.7
111.11725	7.9
113.09637	3.6
116.98623	6.8
117.07069	3.0
121.10149	97.9
123.11712	37.2
125.09638	8.6
127.00774	2.5
129.05502	12.1
133.10149	3.6
134.99632	4.0
135.11699	66.7
135.12720	4.7
137.13228	5.4
139.11145	9.5
144.00037	2.8
145.01694	5.4
145.10155	3.2
149.13275	24.4
153.12732	4.4
153.84268	2.9
157.12216	3.6
163.02821	12.6
163.14873	7.1
167.14207	2.7
173.24524	3.1
205.19531	100.0
223.20573	65.4
241.21642	16.4
297.24219	32.6
315.07611	14.8
315.16177	6.4
315.19125	4.8
316.28589	7.1
333.08716	3.4
333.16974	4.7
337.96588	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	315.2531
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.35968	1.6
55.01868	9.0
55.05265	3.3
55.05514	47.2
56.75811	2.1
57.03440	13.2
57.07078	27.2
65.69604	1.9
67.05508	60.9
67.98800	1.7
69.03445	1.9
69.07071	67.1
69.19743	4.5
69.20139	17.9
71.04991	2.6
71.08627	14.8
73.02915	3.9
75.04454	2.6
79.05063	3.3
79.05495	43.9
81.07063	58.3
83.04971	3.4
83.08145	3.2
83.08620	49.5
85.06528	2.5
85.10166	8.3
87.08112	2.1
91.05462	6.5
93.07041	51.2
95.08607	40.2
97.06541	31.6
97.10172	21.7
99.08076	3.4
101.09642	2.5
105.07058	2.9
107.08599	43.6
109.10161	38.3
109.10904	2.2
111.08080	13.0
111.11712	6.2
113.09666	2.6
115.07597	2.1
115.11179	2.1
117.07034	2.1
118.45792	1.7
121.10146	90.2
123.11720	32.8
125.09611	7.8
127.11159	2.2
129.05464	8.0
129.09119	3.1
131.08580	1.9
135.11693	60.7
137.13242	7.0
139.11151	6.2
139.33983	2.0
139.96609	1.8
145.10091	2.9
149.13255	27.3
153.12717	8.1
157.12306	2.1
163.14842	11.8
167.14291	2.9
187.11186	10.6
189.22412	2.0
205.19522	100.0
223.20580	68.4
241.21631	18.8
258.54764	2.0
297.24231	35.0
299.44440	2.1
315.19504	10.9
315.25284	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.3
55.01863	8.0
55.05502	12.9
56.96553	7.9
57.03434	17.7
57.07078	3.4
59.04999	3.8
61.02916	9.0
66.94910	3.1
67.05511	20.2
69.03426	26.8
69.07064	16.7
69.07372	2.9
70.06579	12.0
70.14917	13.8
70.15247	2.9
70.50926	3.1
71.04971	12.1
72.08134	14.1
73.02899	5.8
79.05494	28.6
79.51851	3.0
81.03406	18.9
81.07060	52.9
83.04964	9.9
83.08611	4.8
84.08153	9.7
85.02448	4.1
85.02914	65.6
85.06522	3.5
86.09701	17.5
86.66150	3.4
87.04455	8.9
91.05486	25.7
93.07048	100.0
95.04956	12.3
95.08614	41.8
96.08131	4.2
97.02894	15.9
97.06541	7.5
98.97589	7.9
99.04436	9.4
99.08092	19.5
103.03941	4.6
105.07030	33.1
107.04990	6.9
107.08603	92.9
109.02873	10.0
109.06508	12.0
109.10165	18.4
110.09729	3.3
111.04425	6.8
111.08095	3.5
117.07008	6.5
118.77888	2.9
119.04907	4.8
119.08586	28.3
120.08131	4.1
121.06477	4.5
121.10142	14.0
123.04398	6.6
123.08064	8.9
123.11674	3.6
125.05927	3.3
125.13225	3.4
127.03902	14.2
128.06233	3.6
129.05493	3.8
129.07033	4.7
131.00159	2.9
131.08553	12.2
133.04997	6.6
133.10133	15.5
135.08015	5.7
135.11700	86.5
137.09589	3.8
137.13245	6.1
142.07747	6.3
143.00146	3.7
143.08536	7.5
145.04976	7.6
145.10114	13.1
147.04439	14.5
147.08052	6.8
147.11667	13.3
149.09637	5.4
151.07509	4.4
151.11209	8.4
153.12759	25.4
155.08554	6.4
157.10124	8.5
159.11720	14.6
161.09671	4.0
161.13301	4.5
163.11119	10.9
165.06921	3.5
165.12788	35.4
169.07512	5.3
171.11650	9.1
173.09674	5.7
175.11081	4.7
177.12764	8.5
183.11662	3.5
189.12744	5.4
193.12276	7.6
195.02979	6.0
201.12737	4.0
207.13879	6.7
213.10358	5.6
215.81693	4.5
219.13791	8.9
231.13896	9.5
232.99414	4.3
240.08977	7.0
241.09753	4.9
243.13831	7.0
259.10745	10.2
261.14896	21.6
272.18552	6.9
279.15866	22.8
283.09576	3.4
297.11841	4.7
297.17108	9.8
315.07642	12.2
315.13458	28.2
315.18057	20.5
315.23251	5.0
316.21277	4.2
327.26361	10.8
335.78583	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	314.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87959	0.2
55.05494	0.7
57.07079	7.0
58.06601	1.1
58.16039	0.2
62.06089	2.8
67.05494	0.3
69.07071	0.6
71.08635	3.5
71.56798	0.2
71.57273	0.3
72.08147	1.4
81.07059	0.5
85.10185	0.7
87.04451	0.3
93.07056	0.5
95.08603	0.5
97.06506	0.3
97.10171	0.2
98.97569	0.3
116.98560	0.3
119.08591	0.3
126.22693	0.2
141.40732	0.2
156.17484	1.8
167.84930	0.2
170.19106	0.4
174.18541	4.5
184.20641	1.3
192.14946	0.3
198.22156	0.3
202.21655	5.4
205.19542	0.2
270.31540	0.3
296.29590	0.5
296.33133	0.8
314.13901	0.9
314.34161	100.0
315.19333	1.6
315.34592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1961
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
53.03949	1.0
55.01870	2.7
55.05516	5.6
56.05040	4.5
56.96569	2.3
57.03433	2.3
60.04525	2.2
60.12455	0.6
61.02944	1.5
67.05514	12.1
67.49480	0.5
68.05041	2.4
69.03439	6.9
69.07075	4.6
69.27510	0.7
69.27846	6.0
70.02978	0.6
70.06601	10.1
71.04994	4.1
71.53638	0.7
72.04520	1.2
72.08167	1.6
72.93803	0.6
73.02921	1.7
79.05500	10.3
80.05027	4.5
81.03427	6.4
81.07064	14.9
82.06592	2.8
83.04987	4.2
83.08628	3.9
84.04511	10.4
84.08149	4.0
85.02907	2.7
85.06575	1.5
86.06075	33.1
86.09712	4.9
87.04476	29.8
91.04005	0.8
91.05492	7.8
91.06023	0.9
93.07059	9.8
94.06582	2.7
95.04974	3.1
95.08607	8.2
96.04566	0.7
96.08143	12.7
97.02913	2.2
97.06535	7.6
97.10188	1.4
98.06056	7.7
98.09703	1.4
98.21473	1.1
98.97594	2.7
102.05538	5.9
103.05443	0.7
104.07111	10.7
104.10742	0.8
105.07047	5.9
106.06579	0.6
107.04977	1.7
107.08598	6.1
108.08165	0.9
108.48868	0.5
109.06537	1.6
109.10171	2.5
110.07179	1.7
110.09708	1.2
111.08096	2.4
112.07614	9.7
112.99155	0.9
114.05513	0.6
115.05544	0.7
116.07119	1.4
116.98600	1.0
117.07027	1.8
117.58833	0.6
119.01824	0.8
119.08590	6.4
120.08118	1.0
121.06466	0.7
121.10183	3.8
123.08120	1.3
123.11724	0.9
124.07609	4.9
124.11237	0.7
125.09628	1.7
126.09163	1.2
128.07045	1.0
129.06970	0.7
130.08655	2.6
131.00160	1.5
131.04823	0.7
131.08557	2.9
133.10141	2.6
135.08084	3.6
135.11691	2.1
136.07564	1.2
138.09151	1.8
138.12796	1.2
140.07126	1.9
142.08649	4.5
143.00180	1.1
147.03125	2.3
147.08104	1.0
147.11725	4.4
148.07631	1.3
149.01250	2.0
149.09627	12.2
149.13310	0.9
156.03659	4.8
157.10117	1.6
158.08144	4.9
158.99716	1.0
159.11755	1.1
161.01170	0.8
165.12805	2.4
166.12282	1.9
173.12981	0.7
175.11172	3.4
177.12721	1.4
182.15446	2.2
184.13394	2.5
187.06210	1.0
193.12297	7.4
194.15474	1.1
195.13826	3.1
210.14905	8.8
211.13335	10.8
211.15274	0.8
212.16544	1.8
213.14865	1.4
224.08075	13.9
224.58299	2.3
228.15929	3.2
229.07625	2.4
230.17459	0.9
247.08539	1.0
250.18085	1.9
254.17488	1.0
260.16263	2.9
268.19205	2.0
270.17026	10.5
271.17441	0.6
278.17618	6.0
278.20673	1.0
286.20087	0.7
292.89209	0.7
296.18637	8.3
296.22293	7.1
298.10880	0.7
305.10712	15.2
305.60815	2.9
314.07477	2.5
314.19690	100.0
314.23279	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	314.1961
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.01878	1.9
55.05511	6.7
56.05037	4.8
57.03434	1.1
57.07343	0.4
58.06593	0.8
66.11866	0.4
67.05170	0.7
67.05505	8.8
68.05014	1.6
68.69632	0.4
69.03085	0.5
69.03429	7.2
69.07072	3.7
70.02931	0.5
70.06598	3.6
71.05000	3.1
72.04501	1.3
72.75082	0.4
74.06036	0.5
79.05064	0.7
79.05493	9.3
80.05016	2.2
81.03421	5.5
81.07059	17.4
82.06585	2.1
83.04976	4.2
83.08611	3.7
84.04040	0.6
84.04511	9.0
84.08152	2.2
85.02894	1.7
85.06538	1.4
85.54546	0.4
86.06070	35.7
87.04469	32.7
89.19643	0.4
91.05481	6.5
93.07050	9.1
94.06577	1.9
95.04958	2.6
95.08609	7.1
96.08138	2.9
97.06543	6.9
97.10174	2.2
98.06055	8.2
102.05547	4.4
102.60751	0.5
104.07108	11.8
105.07041	4.6
107.04935	1.0
107.08601	5.0
108.08131	0.8
109.06499	0.9
109.10152	1.1
110.06020	1.3
110.09665	0.9
111.08073	1.7
112.07607	9.2
114.05529	0.9
116.06198	0.4
117.07003	1.7
119.08587	3.7
120.08096	0.5
121.06484	0.9
121.10162	4.0
122.06038	1.0
122.09621	0.4
123.08089	1.1
123.11710	0.8
124.07585	5.0
125.09625	1.3
126.09130	1.0
128.75197	0.4
129.07022	1.0
130.08597	0.5
131.08582	3.6
133.10150	3.2
135.08008	0.8
135.11690	2.1
136.07552	0.6
137.13237	0.6
138.09137	1.3
138.12761	1.8
140.07043	1.6
142.08653	4.5
142.44699	0.4
147.08073	0.6
147.11703	4.2
148.07573	1.8
149.09625	15.5
149.13214	1.1
151.11201	0.6
156.10188	0.8
157.10109	2.2
158.08112	5.6
159.11664	1.2
163.11165	0.5
164.14371	0.5
165.12764	2.4
166.12265	2.0
167.10669	0.7
167.63914	0.4
175.11179	2.8
177.12732	1.8
181.45157	0.4
182.15414	2.4
184.13347	2.5
192.13890	1.0
193.12271	8.9
194.15367	1.2
195.13828	3.9
200.16464	0.8
210.14891	10.0
211.13309	12.0
212.16490	3.0
213.14880	2.2
228.15953	3.2
230.17484	1.0
232.16895	0.4
234.14873	0.5
250.14502	0.5
250.18019	1.9
252.16000	0.5
260.16461	2.5
268.19138	1.6
270.17010	12.9
278.17520	7.7
284.18283	0.5
286.16708	0.7
286.20038	0.7
296.18631	6.0
314.19623	100.0
315.19968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87787	1.3
55.05516	8.7
57.03445	13.9
57.07080	52.6
67.05511	9.7
69.07072	10.4
71.08636	35.9
71.27914	2.9
78.96441	1.4
81.07061	13.5
83.08621	11.1
85.10184	20.3
89.06014	2.8
93.07020	1.8
95.08614	18.9
97.10165	4.6
100.97830	1.6
102.09163	1.7
109.10162	10.1
111.11699	1.8
116.10748	2.3
121.06490	2.6
123.11711	4.0
123.42844	1.2
149.05969	3.7
176.19479	1.6
193.48019	1.2
239.23659	2.5
244.12192	1.4
257.24738	4.1
313.27353	100.0
313.32974	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92867	1.3
55.05506	2.4
56.96561	3.4
57.03432	1.9
61.02930	2.2
69.03430	4.4
69.70937	4.5
69.71342	2.8
70.06592	11.8
71.04980	1.2
72.08163	27.9
73.06562	54.0
74.02066	1.2
84.08173	2.0
85.02914	14.1
86.09710	5.6
87.04475	1.9
89.06033	22.5
91.03964	1.7
91.05469	1.5
97.02880	3.5
98.97589	4.8
116.07107	19.8
116.98672	1.9
117.09161	4.7
117.82951	1.2
121.02862	2.2
127.03934	2.8
132.10158	1.9
135.10176	100.0
136.06177	1.4
136.07619	1.3
141.02188	1.2
145.01767	1.8
145.04900	2.9
147.04416	2.2
152.05818	1.5
152.07056	5.3
155.08093	1.4
171.14969	8.1
199.14470	5.3
210.14961	5.4
215.13863	1.4
279.84174	1.3
296.18506	2.5
314.09409	2.6
314.13104	2.2
314.19733	8.1
314.27698	1.4
315.07916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.3
57.03440	15.9
57.07077	48.3
61.67209	0.4
62.44380	0.4
67.05508	8.7
69.06729	0.8
69.07074	8.6
69.46545	2.8
69.46940	0.8
71.05000	0.7
71.08634	28.2
75.04456	0.4
79.05482	0.8
81.07059	12.4
83.04940	0.6
83.08624	9.1
85.06558	0.6
85.10185	14.8
85.93761	0.4
89.06011	3.1
93.07028	0.9
95.08611	17.5
97.10180	4.8
99.11734	1.1
103.07567	1.9
108.34626	0.4
109.10166	6.5
111.11720	1.2
117.09147	0.9
121.10154	0.7
123.11725	2.8
125.13270	0.9
134.41248	0.5
137.13234	1.5
151.14827	0.9
196.22366	0.5
221.22615	0.9
239.23732	3.7
257.24750	5.6
313.27365	100.0
314.27460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
52.78764	1.8
55.01873	4.1
55.05518	20.0
56.96564	2.5
57.03425	3.7
57.07072	3.6
65.03884	2.0
67.05507	38.8
69.06719	3.4
69.07073	32.5
69.84328	10.3
69.84649	2.0
71.04987	6.8
71.08611	2.5
74.57222	2.0
76.96263	1.9
79.05495	21.1
81.03431	3.1
81.07064	43.1
83.04987	5.6
83.08630	20.1
85.06545	3.3
87.58535	2.2
91.05483	21.7
93.07056	37.4
95.04965	3.5
95.08611	100.0
97.06519	7.9
97.10179	4.8
99.08079	6.7
105.07050	11.6
107.08620	19.9
109.06520	5.9
109.10158	11.5
111.08085	7.5
113.09666	33.6
117.07014	2.9
117.88097	2.2
119.08580	11.3
119.21111	2.1
121.10148	18.6
123.08066	4.7
123.11702	2.4
125.09648	4.7
129.07010	2.2
129.09090	9.6
131.08537	5.2
133.10143	10.2
135.11742	14.4
139.11118	5.2
143.08629	2.6
145.10159	4.5
147.11674	14.6
149.09645	4.4
149.13242	12.8
151.11180	2.9
157.40486	2.0
159.11766	3.2
161.13251	5.7
163.11128	2.1
165.12793	4.3
171.11707	4.4
175.14763	2.4
179.14427	2.6
184.25484	2.3
187.14867	2.8
189.12743	4.6
193.12239	3.4
203.12704	3.0
207.13765	4.5
210.12099	2.6
239.11940	2.5
241.19516	4.5
259.20602	6.2
277.21674	40.0
295.22711	11.6
301.84268	2.0
313.06964	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03919	1.7
55.01870	2.0
55.05506	9.2
57.03422	2.9
57.07060	5.5
67.05505	17.2
69.07072	10.4
70.04989	4.1
70.05404	2.9
71.04966	2.5
71.08619	1.9
79.05507	8.1
81.03410	5.8
81.07057	19.0
83.04958	5.3
83.08624	6.5
85.02906	1.8
85.06553	1.6
85.10191	8.5
91.05492	6.9
93.07047	10.0
95.04973	6.5
95.08616	11.6
97.06519	3.0
97.10133	3.9
99.46102	1.4
105.07045	8.9
107.08600	7.4
109.06499	2.2
109.10155	12.8
113.09651	4.7
119.08565	5.2
121.06551	1.9
121.10141	3.5
123.08041	1.5
123.11729	3.0
125.09628	4.1
129.07011	1.4
131.08537	3.2
133.10110	5.9
135.11659	1.7
145.10193	2.0
147.11708	3.8
149.09610	2.1
151.11172	3.4
161.13235	2.7
165.12755	14.0
167.32732	1.5
171.11816	1.4
179.14342	2.3
189.11229	1.7
277.21637	29.7
295.22699	100.0
313.07019	1.6
313.21594	3.3
314.14050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03950	1.3
55.01864	1.9
55.05510	8.8
55.29276	0.9
56.96563	2.0
57.03418	2.2
57.07083	4.3
65.03914	0.8
67.05511	18.7
69.03436	2.1
69.05725	0.9
69.07071	14.1
71.04990	3.7
71.08641	12.8
71.56693	1.1
74.78882	0.8
79.05506	8.2
81.03426	4.2
81.07058	14.4
83.04987	6.3
83.08614	3.7
85.02922	1.8
85.06531	1.6
86.09714	1.5
91.05479	7.0
93.07046	13.5
94.08962	1.1
95.04968	7.2
95.08608	17.7
97.06532	4.1
97.10185	2.5
99.08099	7.9
104.10707	1.2
105.07047	5.0
107.08606	5.8
109.06512	3.1
109.10162	7.5
111.04327	0.8
116.98690	1.1
117.05471	1.0
117.07008	1.6
119.08614	4.9
121.06493	2.4
121.10174	5.6
123.04455	1.2
123.08067	2.6
123.11729	2.5
127.11204	1.2
129.07016	1.8
131.08589	1.2
133.10133	3.0
135.11696	3.1
137.05975	3.9
137.09618	4.9
139.11223	2.0
143.08607	0.9
144.19762	0.8
145.10141	2.7
147.11699	3.4
151.11176	10.8
153.12776	1.2
154.94218	1.5
157.10156	1.7
159.11606	1.5
161.13319	1.6
163.07489	1.2
163.11264	1.7
165.12817	1.5
169.09926	0.9
171.11731	1.3
172.95299	2.5
179.14305	5.2
185.13347	1.5
198.96863	2.1
216.97855	1.1
221.15349	1.7
228.97755	1.1
257.11832	7.4
259.08563	1.0
259.20721	1.6
267.59412	0.9
273.25250	0.8
274.17975	0.9
277.21649	33.8
285.10266	0.9
285.64716	1.2
292.63782	1.7
295.22693	100.0
296.23129	1.0
313.06964	1.9
313.17880	2.4
313.21448	1.7
313.27634	2.2
313.65506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03932	4.0
55.01876	30.3
55.05519	48.8
56.99352	2.9
57.03437	4.0
57.07074	12.0
57.60737	3.2
58.23402	3.2
65.37133	3.8
65.99571	3.4
67.05176	4.4
67.05510	72.0
69.03424	5.6
69.07073	52.1
71.04988	10.2
71.08615	10.1
71.21393	7.7
77.03931	3.6
79.05495	38.4
79.24549	3.5
81.03414	11.9
81.07063	60.2
83.04978	14.7
83.08614	19.0
85.06552	5.9
85.10182	8.3
87.32391	2.8
90.91690	3.0
91.05479	21.0
93.07040	50.9
95.04970	13.2
95.08609	58.9
97.06552	16.6
97.10172	37.7
99.08089	9.9
105.07051	28.5
107.08608	30.0
109.06522	7.8
109.10152	33.1
111.08063	5.2
113.09657	12.9
117.07050	5.2
119.08594	25.2
121.06528	5.9
121.10132	27.9
123.08066	14.9
123.11720	6.6
125.09642	21.1
129.07014	4.4
131.08583	12.1
133.10147	21.6
135.11719	21.2
137.09625	13.2
139.11166	43.0
143.08548	9.4
145.10136	15.8
147.11682	8.2
149.13263	6.8
151.11172	8.7
155.08577	3.8
155.10721	3.7
157.10164	10.2
159.11703	6.7
161.13278	7.9
163.11122	4.0
165.12752	9.0
169.12291	3.8
170.10872	3.4
171.11687	8.3
173.11815	6.4
173.13271	10.4
175.11133	3.9
175.14809	3.8
177.12790	4.0
179.14281	4.8
185.11745	4.5
185.13297	9.1
189.11249	13.0
192.40715	3.4
193.15892	3.1
199.14763	6.1
209.13287	5.3
215.21471	3.3
217.19543	3.6
221.15387	6.3
227.14445	4.3
231.21075	4.5
241.19566	5.2
249.22121	12.5
259.20456	7.2
270.96988	3.5
277.18808	6.7
277.21655	87.8
285.10193	4.6
295.22766	100.0
313.17719	42.7
313.21530	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	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01869	25.4
55.05518	47.8
55.21642	5.4
55.70242	4.6
57.03439	8.3
57.07064	15.0
65.93410	5.7
66.43538	5.0
67.05505	61.0
69.03437	5.2
69.07064	26.4
70.10435	17.2
71.04965	7.5
71.08638	50.0
76.83054	5.5
79.05491	43.2
81.07055	77.8
83.04980	12.4
83.08631	31.4
83.22504	5.9
85.06548	9.4
91.05482	41.8
93.07042	61.3
95.04966	13.2
95.08616	51.9
96.75340	5.0
97.06536	28.7
97.10165	9.0
98.20848	6.0
99.08079	41.3
105.07023	31.4
107.08605	28.4
109.06512	9.7
109.10155	22.6
111.08064	27.8
117.07019	8.4
119.08582	31.6
121.06541	7.8
121.10156	30.0
121.69897	4.7
123.08039	5.9
125.09607	7.0
129.06982	9.3
129.36188	5.2
131.08580	11.4
133.10152	29.9
135.10732	6.3
135.11684	21.3
137.05966	7.9
137.09578	5.4
141.12758	11.0
145.10136	12.8
147.11690	21.0
149.09663	6.9
149.13252	19.8
151.11192	23.4
157.10141	10.8
161.13145	12.5
163.11206	19.1
165.12799	22.1
169.12244	10.3
171.11691	9.8
175.11206	8.1
179.14285	27.8
189.12910	5.9
210.12228	6.6
241.19542	9.6
259.20667	16.8
277.16083	4.8
277.21634	100.0
295.22714	77.0
313.06946	10.3
313.17972	19.6
313.21338	12.4
313.32327	6.3
329.25110	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03934	4.2
55.01871	21.6
55.05515	44.8
56.96555	6.7
57.03431	7.1
57.07058	8.3
67.05508	74.8
69.03422	5.5
69.07078	36.2
69.82857	13.8
71.08639	30.8
79.05495	39.8
79.21275	2.9
81.03410	8.9
81.07058	71.4
83.05000	14.7
83.05406	2.4
83.08625	33.1
85.06535	7.9
85.10150	3.8
91.04973	3.4
91.05484	35.0
93.04389	3.0
93.07048	46.7
95.04964	11.6
95.08608	44.4
97.06532	27.1
97.10191	13.4
99.08078	18.8
105.07034	21.6
107.04972	4.5
107.08595	26.1
109.06506	7.5
109.10162	29.8
111.08068	17.8
113.06031	2.9
113.09624	5.3
117.07008	7.4
119.08587	26.8
121.10139	22.4
123.08066	6.5
123.11729	6.0
125.09620	10.3
127.07515	3.3
129.06984	3.7
131.08569	11.3
133.10135	17.2
134.67441	3.0
135.07982	3.2
135.11665	17.8
137.09621	9.4
139.11188	19.5
143.08513	4.3
145.10120	3.8
147.10873	2.3
147.11734	24.8
149.09624	3.9
149.13266	25.8
151.11191	15.8
153.12747	3.7
155.10622	3.4
159.11667	8.5
161.13264	14.6
163.11198	5.0
165.12785	19.5
171.11659	3.5
173.11699	8.4
173.13235	5.3
175.11172	3.8
177.12767	3.7
179.14294	11.1
185.13240	3.1
189.11194	3.6
190.86526	3.0
195.13852	17.7
207.13794	5.8
213.14725	3.5
221.15428	3.5
231.21173	4.3
241.19490	7.9
249.22255	4.7
257.11719	3.5
259.20593	12.2
271.12262	3.7
271.55563	2.7
277.21628	100.0
295.22653	52.9
313.07016	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	1.7
55.05515	0.8
57.03419	0.6
63.19932	0.5
67.05492	1.6
69.07071	22.4
70.53807	1.1
71.01339	1.7
78.95863	0.7
79.05487	2.9
80.81384	0.6
81.07043	1.2
88.28485	0.6
91.05478	7.0
93.07040	12.0
95.04987	1.7
97.06533	0.9
103.05439	0.9
105.07008	1.9
107.04933	2.8
109.06550	1.5
117.07014	1.1
119.08569	2.1
121.06510	73.9
123.04433	20.9
125.06069	0.9
128.06250	0.7
129.06999	1.4
130.77873	0.6
133.06480	2.8
137.05986	24.7
145.06490	0.7
147.04352	0.6
147.08051	22.9
149.06023	1.0
151.07567	1.2
157.06473	0.6
159.11659	0.7
161.09586	0.6
175.11192	5.9
176.11487	0.7
183.08069	0.7
185.09630	1.7
187.11218	6.5
187.97139	0.6
193.10043	0.6
211.07509	0.6
211.11166	8.3
215.10545	0.7
221.09627	2.0
239.10670	7.8
257.11734	100.0
258.12079	0.8
313.07040	0.7
313.18021	9.4
313.21570	0.5
313.27411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1798
Annotation	Broussonin C
Peak:m/z	Relative Intensity
52.08745	0.5
53.03941	0.4
54.12633	0.4
55.01867	1.0
55.05504	1.3
67.05499	1.1
67.71287	0.4
69.03424	1.8
69.07069	14.6
71.08055	1.0
71.76340	0.4
79.05480	3.1
81.07053	5.5
83.01347	6.3
91.05479	2.7
93.07054	2.0
95.04964	1.5
95.08607	0.6
103.05468	0.8
105.07037	3.5
107.04948	10.3
109.06521	22.2
114.80695	0.4
117.07015	0.6
121.06503	18.5
121.10155	0.4
123.04417	3.3
125.05944	0.4
133.06496	27.5
135.04408	5.8
135.08089	1.0
137.05978	63.7
143.36368	0.4
145.06554	0.5
147.08080	1.2
149.06012	0.6
151.07626	0.5
155.07019	1.0
157.06409	0.6
163.07552	7.3
166.69177	0.4
191.10651	1.0
197.09619	0.5
211.11234	0.6
239.10674	0.7
257.11728	100.0
258.12137	1.4
270.65311	0.4
313.17984	18.7
313.21396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01856	2.0
55.05502	1.3
56.96564	5.0
57.03418	1.0
57.07069	0.8
65.46828	0.8
65.87652	0.8
67.05482	4.0
68.99781	1.4
69.03436	1.5
69.07070	25.1
71.01373	1.3
71.04957	1.0
71.08622	0.8
71.57212	1.5
73.39903	0.8
79.05486	6.3
81.03426	1.2
81.07044	3.9
85.02902	1.2
91.05479	10.1
93.07053	15.2
95.04980	2.1
95.08584	2.4
97.06526	3.6
98.09686	1.5
98.97549	3.9
105.07017	3.0
107.04916	3.6
107.08567	2.0
109.06519	2.2
109.10174	1.9
116.98654	1.1
117.06992	1.7
119.08541	3.1
121.06513	83.2
123.03581	1.6
123.04433	24.0
124.99069	1.7
125.05963	1.2
129.06987	2.1
131.08612	1.2
133.06494	2.3
133.10100	0.8
135.07944	1.0
137.05981	24.0
143.00203	4.7
147.04393	1.0
147.06963	1.3
147.08061	25.9
149.05949	1.9
151.03859	1.8
151.07524	1.4
157.10123	2.1
159.07977	0.9
161.01192	1.7
170.15331	2.7
170.99673	1.4
173.09560	1.1
175.11211	6.9
183.08064	1.2
185.01170	1.3
185.09610	1.5
187.11198	8.0
189.00720	1.0
198.14883	6.3
211.11191	7.5
221.09517	1.0
226.14395	2.3
229.12033	1.0
237.10901	2.5
239.10742	8.4
249.02689	2.9
257.11743	100.0
258.11838	1.1
267.03784	5.2
271.08600	1.2
272.04355	1.1
281.13589	32.5
281.16812	1.2
283.00586	0.9
284.06607	1.1
285.04990	1.4
290.05429	1.3
295.15091	3.2
302.61591	1.0
313.07318	4.6
313.16125	57.1
313.24396	2.3
314.13553	1.0
322.57520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20081	0.5
54.13313	0.6
57.03423	1.3
57.07072	1.3
67.05494	1.6
69.07054	1.2
71.08620	0.5
74.84669	0.7
79.05490	1.3
81.07050	2.1
91.05473	1.5
93.07034	2.1
93.85661	0.6
95.04935	0.7
95.08603	1.3
97.06548	1.2
98.97588	1.6
105.07018	1.7
109.10130	0.9
111.04427	0.8
116.98618	1.3
117.07015	0.7
119.08562	0.9
121.06504	0.9
131.08530	1.1
133.10144	0.8
143.63304	0.6
145.09985	0.7
157.10130	0.7
160.86641	0.7
165.49486	0.6
209.11505	100.0
249.02779	0.8
267.03513	0.7
295.15335	1.3
313.07114	2.3
313.16281	9.2
313.21387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11612	0.5
56.96563	1.6
57.03434	0.7
58.16436	0.5
67.05515	0.6
69.07049	0.7
70.36852	2.0
89.38543	0.5
91.05502	1.0
97.02887	0.6
97.06529	0.9
98.97560	1.2
107.08590	0.9
124.99139	1.0
143.00182	1.3
152.45151	0.6
239.12646	2.7
249.02756	0.8
253.14149	4.8
267.03873	1.2
281.13602	29.4
281.71484	0.6
290.05551	0.6
295.15231	2.3
313.06842	1.7
313.16226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.3
56.96557	8.0
61.59809	5.8
67.05509	20.3
69.07042	11.7
70.61524	15.4
70.61852	6.6
79.05502	21.0
81.07067	26.3
83.05000	8.4
83.08628	10.9
91.05432	8.4
93.07034	11.2
95.08630	14.5
97.06519	16.3
107.08592	10.4
109.06463	8.6
109.10197	8.4
131.08534	7.9
152.46483	6.7
177.72093	6.5
197.95474	8.0
273.10065	7.9
274.89493	7.3
277.20746	10.1
313.07071	11.9
313.14090	100.0
316.97479	7.4
325.14572	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	313.0701
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.01622	0.0
53.03949	0.2
55.01649	0.0
55.01880	0.1
55.05520	0.0
57.03428	0.1
65.03941	0.7
67.01859	0.2
68.99786	0.5
69.00115	0.0
69.03408	0.1
70.69208	0.0
70.81075	0.1
73.90443	0.0
79.01852	0.0
79.05499	0.0
81.02968	0.1
81.03423	1.1
83.01347	0.1
83.04970	0.1
85.02902	0.9
91.05482	0.3
92.99792	0.0
93.03403	0.6
94.04185	0.0
95.04967	0.2
97.02879	0.1
97.04317	0.0
105.03386	0.2
107.01283	0.2
107.04952	0.1
109.02881	1.0
111.00813	0.1
111.04440	0.1
117.07076	0.0
118.04152	0.2
119.04944	1.5
120.05720	0.1
120.08100	0.2
121.02868	5.7
123.00830	0.1
123.04420	0.1
124.01608	0.1
125.02370	0.3
127.03931	0.1
131.04953	0.0
133.02841	0.4
134.03606	0.0
135.00774	0.1
135.04436	0.1
137.02394	0.1
138.03104	0.4
139.03934	0.1
141.07002	0.1
145.02846	1.8
145.06511	0.1
147.04395	0.2
147.25891	0.0
149.02342	4.1
151.03908	0.1
152.01038	0.1
153.01842	0.7
153.02971	0.1
153.07007	0.1
155.08629	0.0
157.06441	0.1
163.03900	0.7
163.05203	0.0
165.01833	0.9
165.05617	0.0
165.07001	0.2
166.02612	0.6
167.03410	4.7
169.05150	0.0
169.06572	0.1
170.02190	0.1
171.02922	0.1
171.08061	0.0
173.05994	0.1
177.01836	2.5
181.06462	0.1
182.07217	0.1
183.02888	0.2
183.08081	0.2
184.03716	0.2
185.05922	0.0
187.03894	0.2
191.03273	0.0
195.02899	2.8
197.05974	0.2
199.07703	0.0
200.08418	0.1
202.06360	0.2
203.07060	0.1
210.06732	0.1
211.07526	0.5
213.03911	0.1
213.05569	0.2
214.06100	0.0
215.07057	0.3
221.05820	0.1
223.07579	0.1
225.05444	0.1
227.07042	0.4
228.07808	0.4
229.04950	1.6
231.02977	0.0
237.05255	0.1
238.06238	0.1
239.07040	1.8
241.04926	0.1
241.08675	0.1
242.05719	0.8
243.06432	0.2
247.06136	0.2
249.05482	0.1
253.04967	0.1
255.06519	1.8
256.07312	2.2
257.07971	0.1
266.05743	0.2
267.06519	10.6
268.07043	0.3
269.04453	0.6
269.08139	0.1
270.05237	3.4
271.05890	0.1
283.06012	9.0
284.06787	15.4
285.07520	1.4
295.06009	7.3
296.06189	0.1
298.04691	0.1
312.06375	0.1
313.07050	100.0
314.07407	0.9
316.05734	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	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01866	2.1
56.96573	4.2
57.03443	5.0
60.04541	0.9
61.02932	9.4
67.05466	0.9
69.03079	1.3
69.03436	17.8
69.07075	10.6
70.06601	3.0
70.14692	3.1
71.04993	3.3
72.08158	1.8
73.02914	4.4
81.03417	6.3
84.04494	1.2
84.08153	2.8
85.02911	100.0
86.09705	4.6
87.04506	2.0
87.08113	19.5
91.03960	6.3
97.02897	21.8
98.97577	1.7
99.04452	3.3
103.03944	1.7
105.09151	2.2
107.49908	0.9
109.02885	7.2
110.06038	0.8
110.07195	1.4
115.03946	0.8
115.07557	2.8
119.04953	1.4
120.08131	1.9
124.99146	3.1
127.03928	24.8
128.33183	0.8
129.10249	2.2
133.08618	5.6
136.07669	1.1
138.05518	1.1
143.00168	5.1
144.99612	1.0
145.04970	48.7
147.04369	4.4
161.01245	3.0
163.06017	13.1
170.99641	1.2
184.67183	0.9
195.77455	0.8
222.11266	0.9
231.01720	1.2
249.02879	6.0
252.12462	1.2
267.03882	8.6
268.15460	1.1
272.04486	2.4
285.04977	3.3
285.50049	0.9
290.05511	3.2
294.17245	1.0
295.14053	1.6
312.18124	39.7
312.21222	1.5
312.27222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01873	5.4
55.05515	37.2
55.32857	2.8
56.96559	13.4
57.03449	5.4
57.07081	21.2
59.04994	3.9
60.16620	2.7
65.03947	4.1
67.05511	61.0
68.05840	2.6
69.03419	8.1
69.07072	83.9
69.19878	30.6
71.05009	13.8
71.08612	9.3
73.06581	3.6
74.83814	2.7
78.70489	2.7
79.05495	48.1
81.03419	10.7
81.07063	100.0
83.04984	13.7
83.08621	39.1
85.02934	3.5
85.06534	17.0
86.06045	3.1
86.79983	3.0
91.05482	26.4
93.07057	44.7
95.04955	11.6
95.08616	96.3
97.06543	26.7
97.10169	28.6
98.97587	8.0
99.08115	15.2
103.05450	3.0
105.07037	23.9
107.04974	14.7
107.08598	31.8
109.06522	8.8
109.10162	57.8
111.04443	7.5
111.08092	13.8
111.11713	16.7
116.98624	3.8
117.07002	7.9
119.04980	7.2
119.08595	14.5
121.06513	6.1
121.10160	31.6
123.04449	34.6
123.11714	33.3
124.99178	3.8
125.09628	12.7
125.13285	9.2
128.06200	2.7
129.06966	5.7
131.04924	5.8
131.08542	11.3
133.06503	6.5
133.10129	10.8
135.08081	4.5
135.11705	14.0
137.05989	12.6
137.13298	14.6
139.11215	6.7
139.14774	3.9
141.06987	5.6
143.00140	3.4
143.08513	3.7
145.06477	3.2
145.10147	4.4
147.04388	17.7
147.11670	5.5
149.01207	4.8
149.09641	7.2
149.13284	26.5
151.14790	7.9
157.06509	2.8
159.08104	3.9
159.11688	6.2
161.05986	3.4
163.03911	8.7
163.11212	5.3
163.14842	10.7
165.16437	3.3
167.14336	7.9
169.10173	2.8
171.11682	2.7
173.09634	5.4
173.13283	7.4
175.11209	12.9
187.04089	3.7
187.07655	6.1
189.11151	4.7
191.08571	6.0
199.03958	5.9
203.12766	7.2
213.05493	14.9
215.06694	8.3
219.07985	8.7
219.17464	3.1
221.61850	3.7
224.07082	4.3
251.10622	12.6
257.19073	5.3
266.08139	4.9
267.13907	8.1
275.20013	16.9
275.24774	4.2
279.10025	8.3
293.20999	9.9
293.28375	19.3
302.08981	5.0
311.12488	19.9
311.16745	19.2
311.26385	16.5
311.29819	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	311.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01873	5.4
55.05515	37.2
55.32857	2.8
56.96559	13.4
57.03449	5.4
57.07081	21.2
59.04994	3.9
60.16620	2.7
65.03947	4.1
67.05511	61.0
68.05840	2.6
69.03419	8.1
69.07072	83.9
69.19878	30.6
71.05009	13.8
71.08612	9.3
73.06581	3.6
74.83814	2.7
78.70489	2.7
79.05495	48.1
81.03419	10.7
81.07063	100.0
83.04984	13.7
83.08621	39.1
85.02934	3.5
85.06534	17.0
86.06045	3.1
86.79983	3.0
91.05482	26.4
93.07057	44.7
95.04955	11.6
95.08616	96.3
97.06543	26.7
97.10169	28.6
98.97587	8.0
99.08115	15.2
103.05450	3.0
105.07037	23.9
107.04974	14.7
107.08598	31.8
109.06522	8.8
109.10162	57.8
111.04443	7.5
111.08092	13.8
111.11713	16.7
116.98624	3.8
117.07002	7.9
119.04980	7.2
119.08595	14.5
121.06513	6.1
121.10160	31.6
123.04449	34.6
123.11714	33.3
124.99178	3.8
125.09628	12.7
125.13285	9.2
128.06200	2.7
129.06966	5.7
131.04924	5.8
131.08542	11.3
133.06503	6.5
133.10129	10.8
135.08081	4.5
135.11705	14.0
137.05989	12.6
137.13298	14.6
139.11215	6.7
139.14774	3.9
141.06987	5.6
143.00140	3.4
143.08513	3.7
145.06477	3.2
145.10147	4.4
147.04388	17.7
147.11670	5.5
149.01207	4.8
149.09641	7.2
149.13284	26.5
151.14790	7.9
157.06509	2.8
159.08104	3.9
159.11688	6.2
161.05986	3.4
163.03911	8.7
163.11212	5.3
163.14842	10.7
165.16437	3.3
167.14336	7.9
169.10173	2.8
171.11682	2.7
173.09634	5.4
173.13283	7.4
175.11209	12.9
187.04089	3.7
187.07655	6.1
189.11151	4.7
191.08571	6.0
199.03958	5.9
203.12766	7.2
213.05493	14.9
215.06694	8.3
219.07985	8.7
219.17464	3.1
221.61850	3.7
224.07082	4.3
251.10622	12.6
257.19073	5.3
266.08139	4.9
267.13907	8.1
275.20013	16.9
275.24774	4.2
279.10025	8.3
293.20999	9.9
293.28375	19.3
302.08981	5.0
311.12488	19.9
311.16745	19.2
311.26385	16.5
311.29819	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.21725	0.9
53.03947	1.8
55.01889	0.9
55.05515	43.0
57.03185	1.4
57.03441	15.5
57.07077	23.4
62.66129	0.8
62.85500	0.8
67.05512	6.4
69.07073	50.4
71.08634	12.5
72.04521	11.3
73.02926	1.1
73.04839	2.2
79.05502	6.0
81.07072	7.8
83.04988	1.8
83.08624	39.7
85.06576	0.7
85.09048	0.7
85.10195	4.1
91.05502	1.2
93.07040	6.0
95.08605	5.9
97.06532	3.3
97.09540	1.5
97.10175	29.9
105.07044	1.1
107.08585	3.8
109.10163	2.9
110.09668	1.2
111.04530	1.1
111.08096	1.9
111.11722	8.9
114.09215	0.8
121.10129	4.8
123.11716	1.7
125.09635	2.1
125.13279	2.6
125.81345	0.7
135.04437	2.1
135.11691	4.9
137.13295	1.2
139.11203	1.1
149.13292	1.3
153.05473	1.3
153.12695	0.9
161.09666	3.0
163.14874	1.0
191.10645	0.8
209.11734	5.9
219.21104	1.6
237.11186	5.1
237.22156	0.8
255.12386	1.3
266.21146	1.5
311.25870	100.0
311.31171	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	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66972	2.0
50.67213	2.0
53.03936	9.5
55.01867	3.5
55.05512	30.6
57.03430	5.3
57.07082	11.5
67.05504	34.5
68.88911	2.3
69.07069	55.0
71.04998	2.9
71.08619	3.3
74.02142	1.9
79.05492	24.2
81.03412	6.2
81.07059	42.7
82.14282	2.3
83.04980	2.6
83.08631	16.0
91.05479	39.3
93.07046	100.0
95.04974	66.1
95.08610	86.5
97.06533	29.5
97.10155	8.3
98.20742	6.2
103.05478	2.8
105.04558	3.4
105.07033	66.9
107.08597	45.0
107.32503	2.3
109.06520	13.8
109.10152	34.6
111.11707	3.4
111.28240	2.0
115.05441	3.5
117.07015	13.1
119.08581	60.9
121.06499	22.0
121.10158	45.2
123.08057	17.9
123.11698	17.2
128.06268	3.2
129.07018	4.8
130.07813	3.0
131.08574	22.4
133.06520	3.1
133.10121	38.0
135.04460	5.6
135.08089	12.9
135.11708	14.1
137.09627	6.0
137.13269	3.0
142.07797	7.7
143.08572	13.9
144.09305	3.7
145.06477	2.4
145.10132	34.4
147.08099	3.1
147.11676	19.1
149.09616	5.3
149.13268	6.4
155.08565	3.9
156.09361	6.1
157.10136	27.7
159.08078	5.2
159.11674	44.9
161.09625	9.7
161.13264	9.0
163.11229	4.3
167.08482	2.6
169.10143	8.5
171.11728	16.0
173.13293	12.8
175.14761	10.9
177.16385	25.9
183.11691	5.5
185.13252	12.2
187.11188	6.1
187.14835	6.8
189.16414	17.1
195.11700	2.6
197.13261	8.4
199.14778	5.3
201.12724	3.4
201.16414	9.0
203.17914	5.0
209.11670	7.1
209.13373	5.0
211.14784	5.2
213.16377	3.1
215.18001	8.1
219.17413	3.3
223.14894	4.3
227.17892	2.2
230.04454	2.5
237.11230	9.0
237.16318	4.7
241.15799	3.4
241.19646	2.9
255.21077	3.4
272.02686	2.3
293.22647	4.7
311.23178	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78432	4.5
55.01871	8.6
55.05508	33.0
57.07072	16.2
67.05508	52.9
69.03431	22.3
69.07079	31.6
69.49767	38.1
79.05505	35.9
81.07060	82.5
83.04984	5.9
83.08612	11.1
85.06528	7.7
91.05480	43.1
93.07051	45.5
95.04993	11.6
95.08606	50.3
97.06545	16.4
97.10152	5.8
99.08106	6.6
105.07030	41.7
107.04976	7.9
107.08602	42.5
109.06513	10.9
109.10155	21.4
111.04456	6.1
111.08096	8.8
117.06992	6.5
119.08560	39.6
121.10148	24.3
123.08098	12.6
123.11710	16.2
125.09638	5.6
129.06993	6.2
131.08571	18.2
133.10193	38.0
135.11691	12.8
137.09633	13.4
145.10138	17.0
147.11691	19.7
149.09618	11.0
149.13219	8.3
151.11226	9.1
159.11743	12.2
161.13228	7.3
163.11192	14.4
170.96420	4.9
173.13258	9.9
175.11252	6.2
193.12181	4.8
197.13153	5.7
209.11760	24.0
229.19670	5.2
235.16962	22.7
237.11206	26.9
239.17920	8.9
257.19003	14.5
265.21616	5.7
275.20102	100.0
293.20981	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	9.7
55.05514	25.8
58.48223	2.0
67.05505	100.0
69.03422	5.5
69.07064	27.0
70.80750	6.2
71.04985	2.3
71.08606	2.1
79.05493	21.6
81.03426	6.7
81.07064	33.8
83.04991	5.4
83.08614	7.9
88.89165	2.1
91.05484	12.9
93.07047	25.9
95.04973	22.4
95.08610	18.8
97.06560	3.7
97.10158	13.3
105.07047	10.1
107.04966	13.7
107.08591	17.8
108.01012	1.9
109.06539	3.1
109.09457	4.1
109.10160	52.0
109.10913	2.6
117.07024	4.6
119.08596	16.0
121.06469	3.6
121.10139	10.2
123.08053	5.9
125.09595	7.0
128.17763	2.0
131.08572	8.6
133.10126	6.6
137.09621	30.4
145.10120	4.8
147.08078	5.2
147.11688	5.3
149.09619	6.4
159.11688	5.1
163.11174	7.0
183.11725	2.5
189.11206	5.2
207.13748	3.9
208.64290	2.3
209.11797	4.2
223.13307	5.3
229.19489	3.7
237.11128	5.1
257.18875	4.4
275.20062	35.2
293.21100	13.1
311.16476	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.24024	5.1
53.03938	15.2
53.63976	4.7
55.01857	13.0
55.05511	36.6
57.07082	29.0
67.05515	63.3
69.03412	7.4
69.07075	33.5
69.28590	42.9
71.04985	9.5
71.40285	4.7
79.05493	56.9
81.03400	25.3
81.07067	100.0
82.64996	4.6
83.04956	15.8
83.08611	15.2
85.02895	10.9
91.05476	61.9
93.07058	49.5
95.04963	33.0
95.08614	70.8
97.06525	16.8
97.10102	6.4
98.20721	11.0
98.97568	4.7
99.08064	10.8
105.07042	43.9
107.04942	19.7
107.08605	26.8
109.06528	46.8
109.10165	28.7
111.04436	23.3
111.08047	7.4
117.07006	17.6
119.08586	41.4
121.06489	6.0
121.10111	23.6
123.08047	17.2
123.11721	5.4
125.05973	6.3
125.09649	9.3
131.08569	23.1
133.03493	6.3
133.10143	43.8
135.08040	7.9
135.11684	7.7
137.09639	12.1
139.11172	13.4
141.07022	5.5
143.08583	6.1
145.10094	19.1
147.11781	11.3
149.09593	13.9
149.13210	8.6
151.11221	9.9
153.05423	13.7
155.10641	13.8
159.11655	20.2
161.13216	5.2
163.11147	8.5
165.22656	4.6
168.59053	4.8
169.10143	5.5
173.11716	13.5
173.13150	8.0
177.12743	7.5
181.12239	8.0
183.11653	5.7
187.11177	5.7
191.10696	12.3
193.04980	5.5
193.12117	5.6
195.13736	5.4
209.11749	60.6
221.15359	18.8
223.13289	10.5
235.16876	7.1
237.11227	53.2
239.17963	10.1
255.12346	14.1
257.18967	12.7
275.20081	76.8
293.17676	8.6
293.20917	63.5
311.16602	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01865	1.6
55.05510	7.9
56.92453	0.5
57.03424	1.6
57.07081	3.8
67.05510	9.7
69.03411	1.4
69.06771	0.5
69.07074	4.8
71.04993	0.8
71.08634	10.0
71.26844	1.5
75.92148	0.5
79.05496	7.2
81.03401	0.6
81.07065	9.0
83.04979	1.8
83.08624	4.4
85.06545	1.2
91.05487	4.5
93.07045	6.5
95.04979	2.8
95.08613	6.7
97.06526	1.8
97.10186	4.2
99.08110	5.0
100.04574	0.6
105.07032	4.2
107.04964	2.8
107.08595	4.8
108.05726	0.7
109.06539	2.0
109.10166	3.2
109.75317	0.5
111.04440	1.3
111.08108	1.0
111.11723	0.7
117.07006	1.6
119.08548	1.8
121.06484	2.8
121.10137	2.5
123.11664	1.3
125.06001	0.9
125.09633	3.7
131.08577	2.3
133.10126	2.5
135.08095	1.2
135.11722	1.6
139.11115	0.7
140.73766	0.6
143.08574	0.6
145.10153	1.5
147.11681	1.0
149.09637	0.9
149.13235	1.4
151.11258	0.9
153.05437	1.0
153.35170	0.5
159.11711	1.2
163.11240	1.0
165.12796	2.8
177.12752	1.7
189.11206	1.4
191.10692	1.4
209.11713	6.4
237.11194	6.5
246.42358	0.6
247.20450	0.8
255.12321	1.7
265.58853	0.6
275.17233	0.9
275.20068	7.0
293.21121	100.0
307.75638	0.5
311.22803	0.9
311.26202	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03946	6.1
55.01870	7.1
55.05513	25.0
55.81374	4.3
57.03428	10.3
57.07069	11.9
57.14673	4.9
60.52483	4.2
64.01170	4.6
67.05508	57.1
69.03426	6.0
69.07066	40.2
71.00776	5.2
71.01131	10.3
71.04988	10.8
72.47549	5.0
74.13518	4.3
79.05492	33.7
81.03382	6.6
81.07062	66.4
83.04961	17.8
83.08607	17.0
85.06577	4.8
86.17019	4.5
91.05486	47.0
92.97018	4.2
93.07038	55.2
95.04964	12.7
95.08614	49.8
97.06519	16.6
97.10177	10.8
99.08054	7.3
105.07036	37.1
105.97231	4.1
107.04948	6.4
107.08609	31.7
109.06504	11.5
109.10155	29.2
111.04423	5.2
111.08049	10.7
117.07037	17.4
119.08585	41.8
121.10155	32.5
123.04391	14.6
123.08054	6.3
123.11729	6.1
125.09624	9.0
128.16629	4.4
129.07048	6.3
131.08534	17.6
133.10149	41.6
135.08022	6.0
135.11656	11.1
137.09543	6.0
137.83238	4.7
139.11165	13.5
145.10065	14.0
147.11726	21.3
149.09610	14.3
151.11153	6.5
153.05486	6.5
155.08519	5.5
157.10104	6.7
159.08150	4.4
159.10452	4.7
159.11690	11.8
161.09712	6.7
161.13216	8.2
163.11139	9.7
174.35931	4.3
189.12813	5.6
203.12759	16.0
209.11766	38.0
219.17441	6.4
229.19464	6.7
235.16763	4.8
237.11232	29.3
239.17903	10.9
257.19003	16.0
263.19827	4.3
265.21680	5.8
275.20059	100.0
283.55069	5.6
293.18018	6.8
293.21002	35.0
311.16382	14.0
311.24164	5.4
311.74771	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.75978	3.0
53.26230	3.2
55.01862	3.5
55.05515	20.7
57.00746	3.2
57.03436	3.7
67.05514	51.4
69.07070	18.7
71.04995	3.6
71.30119	7.2
79.05503	26.7
81.03434	3.9
81.07064	53.1
83.08604	11.2
91.05493	24.1
93.07040	27.5
93.86322	3.3
95.04955	6.6
95.08607	30.3
97.06528	10.2
97.10155	9.0
105.07036	36.6
107.04932	5.6
107.08612	29.3
109.06493	5.4
109.10152	22.7
111.08085	6.9
111.73152	3.8
113.22125	3.5
117.07003	8.6
119.08577	34.5
121.06565	3.8
121.10154	21.6
123.08064	7.7
123.11741	4.2
125.09627	10.7
131.08560	14.4
133.10143	31.5
135.08087	5.1
135.11702	7.6
137.09627	4.8
145.10120	17.4
145.11142	3.8
147.11676	12.8
149.09624	6.0
149.13255	4.6
157.10139	3.7
159.11652	10.5
161.13245	6.4
163.11185	10.9
171.11758	4.5
173.11807	4.3
173.13257	5.5
175.22920	3.0
177.12685	4.7
179.17664	3.0
194.93022	3.0
215.17776	3.4
224.34943	3.2
229.19383	6.3
232.07414	3.6
235.16782	5.2
239.17880	8.7
247.20622	3.3
257.19080	9.8
265.22089	3.6
275.20068	100.0
293.21094	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.00031	2.9
55.01864	10.7
55.05515	26.2
56.12955	3.1
56.96564	7.0
57.03432	9.2
59.05000	2.9
62.75046	2.9
66.09901	3.1
67.05514	64.2
69.03424	7.9
69.07074	27.2
69.66908	9.8
69.67310	8.0
71.04995	8.7
71.08636	34.5
79.05503	28.7
81.03416	4.6
81.07062	39.7
83.04971	12.4
83.08616	9.0
84.23542	3.1
85.02893	8.9
91.05489	25.5
93.07062	39.2
95.04951	10.5
95.08615	56.5
95.09180	6.2
97.06518	5.0
97.10156	13.3
99.08102	23.7
105.07039	16.3
107.04964	6.2
107.08610	18.9
109.06542	6.7
109.10165	43.6
111.08065	4.6
117.07024	7.1
119.08582	21.4
121.10149	10.4
123.04422	10.1
123.08045	8.6
123.11665	4.4
125.09630	11.1
127.11218	5.8
131.08559	8.4
133.10172	15.7
135.11667	4.7
137.09627	16.1
139.11195	33.0
145.10133	6.7
147.11691	7.3
149.09616	7.2
149.13254	3.5
151.11195	29.4
155.08632	3.4
155.10674	54.6
157.06456	3.3
159.11679	8.1
159.45856	3.3
161.09660	10.0
163.11285	5.7
165.12782	4.5
173.09624	4.7
173.11737	13.3
175.11252	3.8
177.12761	16.9
191.14325	8.9
195.13942	7.4
199.03995	3.4
213.05527	5.8
219.17619	3.4
233.11159	6.9
237.07867	4.5
245.25320	3.1
247.20718	5.0
257.19037	9.4
260.72989	2.9
265.21671	4.0
267.13898	4.4
275.20102	39.4
293.21136	100.0
295.13239	3.2
297.10034	10.3
302.16461	5.1
311.12964	4.4
311.16541	10.4
311.22311	27.2
311.25916	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03942	2.4
55.01875	7.8
55.05513	45.0
57.03426	2.5
57.07063	1.4
67.05170	1.9
67.05508	24.4
68.54601	0.9
69.03424	5.1
69.07061	10.0
70.73542	1.8
70.73882	1.8
71.04990	2.8
71.08641	12.2
73.06580	1.2
76.87432	1.0
79.05493	20.7
81.03425	13.3
81.07064	25.5
83.04984	12.6
83.08622	26.2
85.02909	1.7
85.06539	1.3
91.05473	11.0
92.00862	1.0
93.07052	16.6
95.04974	24.7
95.08611	12.5
97.02946	1.3
97.06523	4.5
97.10178	26.7
97.91508	0.9
99.04453	1.7
99.08109	11.3
105.07039	7.5
107.04940	6.0
107.08595	19.4
109.06506	2.8
109.10180	9.6
111.04453	10.6
111.08110	5.4
117.07016	3.8
119.08578	7.4
121.06507	3.5
121.10146	6.8
123.08079	2.2
123.11716	1.7
125.05982	1.1
125.09632	20.0
129.07008	3.6
131.08578	7.9
133.10129	6.0
135.08076	4.8
135.11673	5.9
137.09570	1.4
137.13309	1.2
139.11235	1.9
141.07002	1.2
143.08542	1.2
143.10681	1.8
145.06538	5.1
145.10124	6.3
147.11693	4.1
149.09625	8.9
149.13271	1.9
151.11186	1.5
153.09105	7.1
153.12773	2.6
157.10118	2.5
159.11665	3.7
161.09634	1.1
163.11194	32.0
165.12712	2.4
166.07687	1.6
167.10706	4.2
169.10107	1.5
171.10196	2.5
173.09662	2.5
173.13290	1.6
175.11127	2.3
177.12769	3.0
181.10196	1.1
181.12222	3.6
185.11684	1.4
187.11052	1.4
189.11243	14.8
191.10590	2.6
193.12265	6.9
195.13823	11.8
209.09653	2.4
211.13271	7.0
219.12144	1.5
223.13263	10.7
227.12781	1.8
229.19421	1.8
232.09531	1.0
237.09154	2.8
239.17950	1.8
247.20578	4.7
249.22078	2.8
255.10191	24.0
257.18964	3.7
265.21478	2.2
275.20099	21.2
283.19281	1.2
293.21118	100.0
298.49741	1.1
311.16513	17.2
311.22205	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01867	1.6
55.05265	0.7
55.05515	11.0
57.03426	0.7
57.07084	2.6
58.31715	0.4
58.33073	0.4
67.05508	7.4
67.06880	0.4
69.03430	2.0
69.06787	0.4
69.07072	5.3
71.08638	7.9
71.28615	0.7
79.05492	5.2
81.03422	1.2
81.07058	7.3
83.04959	2.2
83.08620	6.5
91.05479	2.5
93.07050	4.1
93.84737	0.5
95.04979	2.8
95.08629	3.3
96.51780	0.5
97.06559	0.7
97.10175	9.9
99.08093	5.2
105.07051	2.7
107.04973	2.2
107.08581	3.8
108.05729	0.7
109.06504	2.1
109.10175	2.3
111.04436	1.2
111.08084	1.1
117.07017	1.0
119.08588	1.7
121.06501	3.7
121.10152	1.5
123.08070	1.5
125.09631	5.6
131.08540	0.8
133.10127	1.7
135.08040	1.1
135.11703	1.3
137.09593	0.6
147.11731	0.7
149.09590	0.6
149.13213	0.6
151.11183	1.6
151.13744	0.5
153.05518	0.9
159.11731	0.8
161.09660	0.5
163.11095	0.7
164.12025	0.8
165.12721	0.7
167.10709	0.9
169.10095	0.5
171.10239	0.6
173.13319	0.7
177.12772	1.6
181.12292	0.5
183.90627	0.5
187.11194	0.5
189.11179	2.3
191.10608	0.7
193.12277	0.7
209.11694	3.7
211.13362	1.1
237.11258	3.6
247.20607	0.8
255.12207	1.3
257.18948	1.1
275.20096	6.2
293.21115	100.0
294.21451	1.2
311.23187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.25759	3.0
53.03942	6.7
55.01865	12.6
55.05512	32.1
57.03434	7.9
57.07082	20.1
65.03958	3.3
67.05505	61.5
67.05839	6.7
68.05806	3.5
69.07071	23.5
71.05001	4.8
71.08634	27.0
71.56849	4.2
79.05502	34.3
81.03431	16.3
81.07062	57.1
83.04995	15.6
83.08621	30.0
85.02886	5.8
85.06524	3.6
91.05480	30.1
93.07044	39.9
95.04980	34.7
95.08607	56.4
97.06551	9.2
97.10170	13.2
99.04466	4.9
99.08099	22.6
105.07034	20.2
107.04971	22.7
107.08599	22.3
109.06508	10.7
109.10160	25.1
111.04449	23.6
111.08062	13.1
112.52271	3.0
112.73981	3.1
117.07003	11.4
119.08584	20.5
121.06510	4.9
121.10154	27.1
123.04383	5.8
123.08055	11.9
123.11740	4.7
125.09631	6.5
131.08565	13.1
133.10162	18.0
135.08054	7.2
135.11685	12.7
137.09627	11.3
143.08513	3.6
145.06499	4.9
145.10156	18.5
147.08000	3.9
147.11688	11.4
149.09618	10.6
149.13264	5.5
151.11235	18.5
153.05447	10.0
155.08614	4.6
155.10660	17.5
157.10182	5.0
159.11674	9.8
161.09660	17.1
163.11235	20.8
165.12781	10.2
169.10176	7.3
173.09607	6.2
173.13155	4.1
175.11214	6.7
177.12790	17.5
180.13399	3.6
181.12210	6.3
187.14890	4.4
189.11261	3.2
191.10666	7.4
209.11740	55.4
219.17375	3.7
223.13274	13.7
228.73032	3.6
237.11224	39.0
247.20609	4.6
254.96451	3.6
255.12317	13.3
257.18979	7.4
261.18539	6.0
269.09619	4.1
275.20065	37.0
279.19540	7.6
293.17746	5.2
293.21085	100.0
310.63153	3.4
311.10583	3.5
311.23529	11.2
311.26938	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03944	2.5
54.49835	1.9
55.01875	11.6
55.05515	23.9
57.03452	2.6
57.07074	3.4
67.05506	100.0
69.03431	6.4
69.07071	34.3
69.07417	3.1
71.04984	5.3
71.08370	3.2
79.05500	23.8
81.03429	7.6
81.07059	41.4
83.04995	5.5
83.08626	12.4
85.02932	1.8
85.06555	2.4
91.05486	19.3
93.07050	29.7
93.46003	1.5
95.04974	20.4
95.08605	24.2
97.06542	4.2
97.10169	12.8
99.08074	2.4
105.07030	13.1
107.04966	6.1
107.08591	19.9
109.06549	8.0
109.10158	62.5
111.04445	1.9
111.08067	2.8
117.07034	6.7
119.08591	13.6
121.06525	3.1
121.10168	9.7
123.08106	6.6
125.05984	1.8
125.09637	13.0
131.08577	5.2
133.10101	8.8
133.94508	1.8
135.08107	3.2
135.11685	4.6
137.09619	28.3
139.11128	1.7
141.97235	1.7
145.10126	7.5
147.08066	4.1
147.11731	6.7
149.09634	10.5
149.13219	2.1
153.12799	1.9
157.10191	2.0
159.11736	3.7
161.09657	1.8
161.13345	3.0
163.11217	6.3
169.10103	2.7
171.11786	2.0
173.13309	4.7
175.11249	1.8
181.12384	2.3
189.11259	4.0
193.12267	2.1
207.13838	2.7
209.11769	3.9
223.13356	7.4
237.14838	2.1
257.19016	4.9
275.20071	37.9
293.21155	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03951	2.3
55.01868	8.4
55.05510	33.4
55.74341	1.3
57.03428	2.4
57.07077	24.9
58.53153	1.2
65.03923	2.1
67.05506	30.1
69.03426	5.5
69.07064	15.5
70.81983	3.3
71.01349	1.2
71.04974	4.8
71.08611	5.8
71.94854	1.5
79.05496	21.8
80.69984	1.3
81.03405	4.8
81.07059	24.9
83.04981	18.9
83.08622	19.3
85.02892	4.9
85.06531	1.9
91.05479	14.2
93.03397	1.6
93.07037	23.6
95.04971	45.9
95.08598	20.5
97.06519	5.6
97.10170	16.3
99.04444	3.9
99.08080	4.9
101.02357	1.4
105.07037	14.5
107.04934	7.9
107.08599	23.8
109.02881	3.3
109.06491	4.2
109.10161	13.7
111.04445	37.5
111.08086	7.3
117.07008	3.9
119.08573	15.1
121.06489	4.0
121.10158	15.8
123.08080	4.9
125.06000	6.6
125.08902	1.4
125.09646	14.2
129.06973	1.3
131.08577	8.4
133.10147	8.4
135.04424	2.8
135.08032	4.9
135.11688	8.7
137.09598	5.2
139.11171	7.7
143.08525	2.8
145.10129	14.5
147.08035	3.7
147.11687	4.5
149.09624	23.3
151.11188	5.1
153.05476	16.7
153.09152	3.0
153.12738	4.7
155.10646	7.6
159.11682	4.3
161.09659	2.6
163.11183	23.7
163.12518	2.0
167.10683	1.4
171.10139	2.3
173.09720	3.0
173.11760	1.7
173.13190	1.5
175.11133	1.9
177.12750	4.7
181.04932	3.3
181.12216	12.4
187.11234	1.8
189.11237	18.3
191.10689	12.2
205.12234	5.9
209.11737	100.0
223.13278	54.6
226.99742	1.4
227.12773	1.7
235.16940	3.2
237.11215	69.7
239.17914	2.3
247.20462	2.1
255.12270	19.0
257.19034	6.2
275.20056	56.7
293.17523	8.6
293.21072	75.2
297.96082	1.4
311.18524	8.9
311.22134	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.30184	1.8
53.03925	2.7
55.01858	4.3
55.05523	16.4
56.95835	2.0
67.05503	13.6
69.07074	37.2
69.50242	10.6
71.04987	4.1
71.08643	2.6
71.89162	2.4
75.40300	2.2
79.05487	16.4
81.03426	5.6
81.07065	21.4
83.04982	10.0
83.08607	7.7
85.70236	1.9
87.93060	2.0
91.05466	7.0
93.07065	16.8
95.04984	29.0
95.08611	12.4
97.06517	6.3
97.10173	9.0
99.08094	5.5
105.07039	7.8
107.04948	3.8
107.08614	12.8
107.27217	2.1
109.06516	5.4
109.10146	5.8
111.04453	16.3
111.08092	4.2
117.07047	3.4
119.08626	4.9
121.06486	3.0
121.10149	6.6
123.08107	4.5
123.11736	2.4
125.09615	6.2
131.08591	5.9
133.10115	6.2
135.08054	8.3
135.11748	4.7
139.11224	3.7
145.10138	6.3
147.11694	2.6
147.37456	2.2
149.09608	3.5
159.11705	5.6
163.11176	7.8
173.13336	4.6
177.12801	6.3
189.11240	2.8
193.72305	2.4
195.13770	4.3
207.13870	5.2
223.13382	3.5
225.14842	3.3
237.14882	29.6
241.14310	3.1
257.19022	3.1
275.20090	34.7
293.21133	100.0
311.22186	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	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03947	1.2
55.01860	3.0
55.05500	2.7
56.96553	2.1
57.03438	1.1
66.75679	0.8
67.05492	3.2
69.03414	2.2
69.07048	3.6
70.06584	1.7
71.04991	2.4
71.57058	1.4
78.02878	0.8
79.05497	5.9
81.03397	1.1
81.07071	6.5
82.53951	0.8
83.04962	1.9
83.08614	1.5
84.08144	1.5
85.02901	1.8
91.05489	9.4
93.07034	3.0
94.04170	3.5
95.04980	1.7
95.08590	3.2
97.02876	1.3
97.06512	3.6
98.06860	0.8
98.97614	4.3
100.11191	0.9
101.41279	0.8
103.05434	1.6
103.86919	0.9
105.03331	0.9
105.07027	6.5
107.04954	5.0
107.05593	0.9
107.08585	2.1
108.08138	1.0
109.06495	4.1
109.10153	2.3
110.09653	1.3
115.05470	2.6
116.98597	1.0
117.07026	1.1
119.04956	5.5
119.08541	1.5
120.05271	1.5
120.08112	0.9
121.06498	2.3
121.10196	1.4
122.03658	8.6
123.04408	1.5
123.08057	0.9
128.06235	1.5
129.06990	3.2
131.04903	2.3
131.08543	1.9
133.06525	5.4
135.04384	1.9
137.05983	91.0
144.05696	2.9
145.10146	1.1
147.04419	12.1
147.11702	0.9
148.04721	3.4
149.05934	5.3
149.09608	1.3
150.12749	1.0
151.07547	1.9
151.13127	1.5
155.04948	6.7
156.05789	1.3
156.09442	1.0
156.22418	1.0
159.08095	6.5
161.05991	12.1
165.06972	3.4
167.07002	1.2
171.04344	1.0
172.05183	1.5
175.07541	3.5
177.12740	1.2
178.13075	2.4
179.08513	2.0
180.09314	1.0
181.06406	1.1
187.07552	27.3
188.65195	0.9
189.07014	6.3
189.08994	1.5
190.07784	18.8
191.08556	44.6
194.07188	1.2
195.07959	1.3
197.13638	2.3
202.07878	2.0
203.08618	1.3
205.06511	3.4
205.10130	1.1
207.08032	5.8
208.08801	8.3
210.02934	1.3
217.06477	1.7
218.07268	12.3
219.08067	54.7
220.08786	7.1
221.06001	2.4
221.09634	1.0
223.11259	1.1
224.08246	1.6
225.09094	2.0
229.07584	1.7
231.07951	1.4
233.09589	3.6
235.07584	8.2
236.08316	13.1
237.09073	2.5
238.65196	2.9
239.10677	1.0
246.06810	1.9
247.07567	28.1
248.08342	3.5
249.05446	1.2
250.09763	1.4
251.10675	82.7
252.07712	1.0
253.08600	7.0
261.09125	4.8
262.09668	1.1
263.07007	2.8
264.07794	9.6
265.08743	7.2
265.11731	1.3
266.05664	1.3
266.21219	1.3
267.10141	2.5
267.21448	7.3
268.11063	1.3
278.09418	1.5
279.10181	73.2
280.10855	4.0
281.08099	9.4
283.13281	2.2
293.11627	2.2
296.10403	9.7
311.12762	100.0
311.23761	6.6
311.27075	8.9
327.26172	1.0
328.26755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1281
Annotation	Porphine
Peak:m/z	Relative Intensity
50.09621	0.7
52.41262	0.7
55.01870	1.7
55.05505	1.6
57.03423	0.9
65.03934	1.3
67.05505	2.2
69.03424	1.8
69.07069	1.3
70.06559	1.0
71.04981	0.8
79.05486	5.0
81.07057	3.4
85.02911	0.9
86.04832	0.8
91.05482	7.8
93.07061	1.2
94.04192	4.5
94.06614	0.7
95.04966	1.4
95.08607	1.4
98.97596	1.0
103.05492	1.8
105.07040	9.8
107.04964	2.9
107.08553	1.0
109.06532	5.4
111.04451	0.8
115.05463	2.8
117.03371	1.0
119.04971	4.8
119.08574	1.7
120.05255	1.0
121.06506	2.9
121.10154	1.2
122.03635	10.4
123.04454	4.7
125.09663	0.8
128.06213	2.4
129.07039	6.1
131.04913	3.3
131.08556	1.4
133.06511	6.6
133.10120	0.9
135.04442	1.1
137.05984	100.0
144.05672	3.7
145.06456	1.3
147.04422	15.8
148.04758	5.5
149.04970	1.0
149.05995	6.3
151.03925	0.8
151.07545	1.9
155.04933	8.1
155.06071	1.1
156.05737	1.7
157.06482	0.9
159.08092	9.1
161.05998	18.1
161.09624	0.8
163.07582	1.0
163.11053	0.9
165.07039	3.2
167.07037	1.3
171.04425	0.9
172.05222	2.3
175.07584	4.0
175.11249	1.2
178.07803	0.9
179.08554	1.9
180.09305	1.0
181.06439	1.6
187.07556	32.6
189.07025	6.0
189.09103	2.1
190.07780	22.5
190.09499	1.4
191.08566	53.8
193.06496	1.2
195.08096	1.3
201.06995	1.1
202.07799	2.8
203.08597	1.4
205.06511	3.2
207.08076	5.5
208.08829	6.8
215.08655	1.2
217.06593	1.3
218.07286	15.9
219.08061	68.9
220.08852	7.4
221.05978	2.9
225.09201	1.9
229.02492	0.9
229.07672	1.8
231.07980	1.5
233.09708	2.6
235.07562	7.5
236.08339	14.2
237.09103	2.8
246.06827	2.6
247.07562	29.3
247.15259	2.1
248.08359	3.2
249.05550	1.5
249.09113	1.3
250.09978	1.5
251.10684	95.5
253.08565	5.6
261.09207	5.1
263.07062	1.6
264.07819	9.8
265.08554	4.4
265.16431	1.0
267.10132	1.3
268.07333	0.9
268.10999	1.9
275.14743	1.0
277.08521	1.0
279.10184	79.8
280.10886	4.8
281.08105	8.2
283.09784	1.1
283.13272	2.9
293.15906	1.7
295.09702	1.0
296.10468	10.9
311.12787	84.3
311.16049	3.1
311.26913	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	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01868	2.1
55.05492	2.4
56.96550	2.7
57.03428	1.4
62.02608	1.0
65.03937	1.3
67.05495	2.8
69.03412	3.1
69.07055	3.7
69.48201	1.9
69.48611	4.2
73.02901	1.0
79.05495	6.0
81.03423	1.4
81.07063	5.4
83.08626	2.1
85.02888	2.7
87.04457	0.9
91.05476	6.5
93.07052	2.5
94.04172	3.6
95.04982	1.4
95.08603	2.3
97.02865	1.8
97.06525	1.3
98.97589	4.5
99.04462	0.9
103.05447	1.7
105.07032	8.6
107.04943	5.3
107.08591	1.7
108.08137	1.2
109.06509	5.4
109.10165	1.8
110.97565	1.1
111.04377	0.8
115.05439	4.1
116.98602	1.0
117.07033	1.3
118.58884	0.9
119.04950	2.9
119.08526	1.0
121.06503	3.0
122.03662	10.1
123.04362	1.2
123.08081	0.9
128.06230	2.7
129.07013	4.1
131.04926	2.3
131.08585	2.3
133.06505	7.6
133.10129	1.0
137.05986	95.3
143.00130	0.9
144.05724	3.1
145.06517	1.1
145.10133	1.4
147.04408	8.6
147.08063	1.0
148.04800	1.5
149.05997	6.0
149.09595	1.0
151.07552	1.6
155.04880	6.2
156.05730	2.0
159.08023	8.7
161.06006	16.6
163.03818	1.2
165.06999	3.7
167.07080	1.1
171.04385	1.4
172.05161	2.4
175.07585	4.2
179.08559	2.6
180.09303	1.3
187.07550	31.8
189.07016	6.3
189.08984	1.9
190.07779	23.8
191.08560	53.5
201.07111	1.3
202.07755	2.8
203.08594	2.8
205.06451	2.5
207.08078	6.5
208.08893	6.8
215.20657	1.0
217.06467	1.9
218.07269	17.9
219.08064	64.2
220.08788	6.8
221.05901	2.5
223.11313	1.2
225.08966	1.6
229.07555	1.3
230.10652	1.0
233.09625	2.2
235.07562	6.9
236.08321	15.0
237.09093	2.6
246.06743	1.5
247.07574	28.5
248.08292	3.7
249.05423	1.6
251.10689	100.0
253.08566	4.7
261.09134	4.6
263.07007	1.9
264.07797	7.4
264.53976	0.9
265.08615	3.8
267.10242	1.1
268.10925	1.1
278.09515	1.7
279.10175	75.6
280.10962	6.5
281.07993	9.3
283.05853	1.0
283.13293	2.2
293.20883	1.1
295.09610	1.3
296.10452	8.9
311.12750	77.9
311.26950	11.8
320.59460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.45430	0.5
55.01871	1.9
55.05510	6.0
56.05030	0.9
56.05814	0.6
56.96575	5.8
57.03425	1.6
57.07062	1.8
63.89537	0.5
65.03929	0.7
67.05510	8.5
68.05035	13.5
68.05836	0.7
69.03431	5.3
69.07073	8.6
69.90627	0.7
70.06598	4.5
70.07398	0.8
71.04992	1.4
71.95239	0.9
72.08170	0.7
73.02918	1.6
73.06541	1.6
74.02467	0.7
79.05493	9.8
80.05018	1.7
81.03412	1.3
81.07064	9.5
82.06604	0.6
82.07391	2.5
83.04985	1.4
83.08610	2.4
84.04504	0.8
84.08136	1.4
85.02870	1.5
85.06506	0.9
85.68518	0.5
86.05584	0.9
86.06075	15.4
86.09700	2.1
88.03983	1.6
91.05486	14.2
92.05784	1.0
93.05786	0.8
93.07055	9.9
94.06570	2.6
94.07352	0.9
95.04980	1.0
95.08062	0.9
95.08617	11.8
96.04485	1.9
96.08139	1.3
96.08945	1.8
97.06528	2.7
97.08897	0.7
97.10182	1.0
98.06062	1.4
98.09711	1.1
98.20700	1.1
98.97581	3.0
99.08115	0.8
100.07642	4.2
101.06044	1.2
103.05464	0.6
105.07044	7.2
106.06564	1.0
106.07340	1.2
107.04967	1.4
107.08602	9.1
108.04474	2.0
108.08124	16.2
108.08865	1.5
109.02876	0.6
109.06536	1.3
109.10170	4.3
110.02451	1.1
110.06055	1.3
110.09675	2.9
110.10446	1.1
111.08083	0.9
111.11682	0.6
114.05547	6.5
116.07033	0.7
116.98598	1.3
117.07022	2.7
118.06465	0.7
119.04951	4.3
119.07339	0.9
119.08589	6.7
120.08108	2.8
120.08870	0.8
121.06507	0.8
121.10133	2.4
122.06042	9.4
122.09674	9.8
122.10480	1.2
123.04398	0.9
123.08102	0.8
123.10450	1.1
123.11699	2.4
124.11221	0.9
124.12032	1.0
128.06232	1.3
128.07077	6.5
129.06999	1.0
130.05043	1.7
131.00156	0.7
131.08543	1.6
132.06526	3.1
133.06499	0.8
133.10143	7.1
134.06013	1.9
134.09682	1.2
135.11690	4.0
136.07559	2.5
136.11209	3.9
137.05872	0.7
142.08643	0.8
143.08577	4.4
145.06490	1.2
145.10123	0.7
146.05969	0.7
147.04434	11.2
147.11682	1.4
148.07567	5.7
149.08392	2.3
149.09584	0.7
149.13258	6.6
150.05507	0.8
150.09134	2.0
150.12784	22.0
151.13606	7.5
151.14781	1.4
152.14328	2.1
153.06978	0.7
153.12758	1.1
153.15045	0.8
158.99677	1.1
160.06148	0.9
160.07622	0.7
161.09642	9.8
161.13257	1.3
162.09117	1.4
164.07095	4.4
164.14345	1.4
166.15916	2.2
170.11899	0.6
171.08060	4.3
174.09094	0.7
176.07120	3.5
176.14357	0.6
178.08627	3.2
178.12288	1.3
178.15887	1.4
179.10719	1.2
179.14253	1.2
188.10704	2.1
189.09105	5.8
190.08627	7.6
190.12279	1.3
192.10173	1.4
192.17511	2.2
194.11774	1.0
204.13812	0.9
206.11771	1.3
207.10382	0.6
208.13425	0.8
210.13101	0.7
210.14877	4.1
212.16466	2.0
213.07932	5.5
217.07469	0.8
218.11830	1.7
218.15352	4.3
220.20583	2.2
222.14943	1.8
225.08080	1.9
228.13869	2.2
231.09055	3.5
236.12819	3.9
236.16397	3.8
243.09204	3.0
246.14914	46.7
251.09525	4.7
256.13388	8.4
257.10693	1.0
264.15979	16.9
264.19595	9.5
266.21167	100.0
267.21335	0.8
268.22717	4.6
269.10605	26.5
274.14383	15.0
274.18759	1.0
287.11676	22.6
292.12289	2.5
292.15427	34.3
292.22409	3.2
292.27017	0.6
300.62415	1.6
310.13336	2.0
310.16455	10.1
310.20175	15.0
310.23770	77.7
311.24149	0.7
327.26358	1.4
333.56165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.45430	0.5
55.01871	1.9
55.05510	6.0
56.05030	0.9
56.05814	0.6
56.96575	5.8
57.03425	1.6
57.07062	1.8
63.89537	0.5
65.03929	0.7
67.05510	8.5
68.05035	13.5
68.05836	0.7
69.03431	5.3
69.07073	8.6
69.90627	0.7
70.06598	4.5
70.07398	0.8
71.04992	1.4
71.95239	0.9
72.08170	0.7
73.02918	1.6
73.06541	1.6
74.02467	0.7
79.05493	9.8
80.05018	1.7
81.03412	1.3
81.07064	9.5
82.06604	0.6
82.07391	2.5
83.04985	1.4
83.08610	2.4
84.04504	0.8
84.08136	1.4
85.02870	1.5
85.06506	0.9
85.68518	0.5
86.05584	0.9
86.06075	15.4
86.09700	2.1
88.03983	1.6
91.05486	14.2
92.05784	1.0
93.05786	0.8
93.07055	9.9
94.06570	2.6
94.07352	0.9
95.04980	1.0
95.08062	0.9
95.08617	11.8
96.04485	1.9
96.08139	1.3
96.08945	1.8
97.06528	2.7
97.08897	0.7
97.10182	1.0
98.06062	1.4
98.09711	1.1
98.20700	1.1
98.97581	3.0
99.08115	0.8
100.07642	4.2
101.06044	1.2
103.05464	0.6
105.07044	7.2
106.06564	1.0
106.07340	1.2
107.04967	1.4
107.08602	9.1
108.04474	2.0
108.08124	16.2
108.08865	1.5
109.02876	0.6
109.06536	1.3
109.10170	4.3
110.02451	1.1
110.06055	1.3
110.09675	2.9
110.10446	1.1
111.08083	0.9
111.11682	0.6
114.05547	6.5
116.07033	0.7
116.98598	1.3
117.07022	2.7
118.06465	0.7
119.04951	4.3
119.07339	0.9
119.08589	6.7
120.08108	2.8
120.08870	0.8
121.06507	0.8
121.10133	2.4
122.06042	9.4
122.09674	9.8
122.10480	1.2
123.04398	0.9
123.08102	0.8
123.10450	1.1
123.11699	2.4
124.11221	0.9
124.12032	1.0
128.06232	1.3
128.07077	6.5
129.06999	1.0
130.05043	1.7
131.00156	0.7
131.08543	1.6
132.06526	3.1
133.06499	0.8
133.10143	7.1
134.06013	1.9
134.09682	1.2
135.11690	4.0
136.07559	2.5
136.11209	3.9
137.05872	0.7
142.08643	0.8
143.08577	4.4
145.06490	1.2
145.10123	0.7
146.05969	0.7
147.04434	11.2
147.11682	1.4
148.07567	5.7
149.08392	2.3
149.09584	0.7
149.13258	6.6
150.05507	0.8
150.09134	2.0
150.12784	22.0
151.13606	7.5
151.14781	1.4
152.14328	2.1
153.06978	0.7
153.12758	1.1
153.15045	0.8
158.99677	1.1
160.06148	0.9
160.07622	0.7
161.09642	9.8
161.13257	1.3
162.09117	1.4
164.07095	4.4
164.14345	1.4
166.15916	2.2
170.11899	0.6
171.08060	4.3
174.09094	0.7
176.07120	3.5
176.14357	0.6
178.08627	3.2
178.12288	1.3
178.15887	1.4
179.10719	1.2
179.14253	1.2
188.10704	2.1
189.09105	5.8
190.08627	7.6
190.12279	1.3
192.10173	1.4
192.17511	2.2
194.11774	1.0
204.13812	0.9
206.11771	1.3
207.10382	0.6
208.13425	0.8
210.13101	0.7
210.14877	4.1
212.16466	2.0
213.07932	5.5
217.07469	0.8
218.11830	1.7
218.15352	4.3
220.20583	2.2
222.14943	1.8
225.08080	1.9
228.13869	2.2
231.09055	3.5
236.12819	3.9
236.16397	3.8
243.09204	3.0
246.14914	46.7
251.09525	4.7
256.13388	8.4
257.10693	1.0
264.15979	16.9
264.19595	9.5
266.21167	100.0
267.21335	0.8
268.22717	4.6
269.10605	26.5
274.14383	15.0
274.18759	1.0
287.11676	22.6
292.12289	2.5
292.15427	34.3
292.22409	3.2
292.27017	0.6
300.62415	1.6
310.13336	2.0
310.16455	10.1
310.20175	15.0
310.23770	77.7
311.24149	0.7
327.26358	1.4
333.56165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01863	1.3
55.05516	5.4
56.05025	1.4
56.96562	4.8
57.03437	2.2
67.05507	15.9
68.05032	79.5
69.03432	2.5
69.07070	7.0
70.06596	26.6
71.04997	2.2
71.56815	1.2
72.08150	1.3
79.05493	19.8
80.05013	2.6
80.05827	1.4
81.03394	1.2
81.07061	15.2
83.04980	1.5
83.08616	3.4
85.02922	2.3
86.06066	18.2
86.09722	2.1
91.05480	11.0
93.07053	13.4
94.06563	2.3
95.04995	1.8
95.08608	21.7
96.08942	2.0
97.02881	1.2
97.06541	3.5
97.10162	2.5
98.97582	4.1
99.08134	1.4
100.07630	9.4
101.06030	7.1
105.07021	7.3
107.04990	1.2
107.08598	27.6
108.08148	2.1
108.08913	1.4
109.02905	1.4
109.06524	1.8
109.10155	11.2
110.09682	1.9
110.10489	1.2
111.08055	1.4
114.05536	19.0
116.07094	2.9
116.98650	1.3
119.04936	6.1
119.08572	5.5
120.08102	1.5
121.06500	1.5
121.10144	7.2
122.09661	2.1
123.08074	1.9
123.11730	1.5
128.07091	14.0
130.04967	1.4
131.00192	1.1
131.08507	1.7
132.06572	18.6
133.10139	5.2
134.09666	2.7
135.11668	2.6
137.09605	2.2
138.05399	1.3
146.09647	9.4
147.04425	18.3
147.11674	2.1
148.04756	1.6
148.07585	1.8
148.11212	3.2
149.13269	22.5
150.12781	3.4
151.13585	1.1
151.14798	5.4
158.99713	1.4
159.11719	1.8
160.06044	18.9
161.13251	4.4
162.12741	1.4
163.11145	1.4
173.01242	1.5
176.14388	2.2
179.14313	3.4
190.15887	2.8
192.10188	13.9
193.10979	4.0
206.11909	2.1
216.04619	1.2
218.19077	3.8
221.14191	1.7
222.14915	3.4
236.16554	1.7
243.09048	1.3
246.14917	4.4
257.03470	1.5
264.19592	100.0
266.21158	18.0
274.14319	1.5
292.15405	2.8
292.19785	3.1
292.22742	4.0
310.20145	78.0
310.23761	17.3
327.26434	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	310.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64283	0.5
53.03959	1.0
55.01888	2.1
55.05522	3.2
56.05046	0.8
56.96572	3.8
57.03450	1.1
57.07077	0.8
59.04988	0.7
65.03949	0.9
67.05502	6.2
68.05029	7.8
69.03432	6.4
69.07065	6.7
70.00117	1.0
70.00512	1.3
70.06609	2.7
71.04993	1.1
73.06574	0.7
78.02285	0.5
79.05498	10.1
79.40458	0.6
80.05044	1.9
81.03430	1.3
81.07059	8.5
82.06593	0.9
82.07387	1.0
83.04978	1.2
83.08640	2.4
84.08197	0.9
85.02940	1.0
85.06565	0.8
86.06070	21.7
86.09732	1.7
88.04023	1.6
91.05483	14.6
91.06001	1.1
93.07053	6.2
94.06591	2.3
94.07394	0.9
95.04984	2.0
95.08604	6.4
95.46762	0.5
96.04484	2.8
96.08146	1.3
97.06552	1.7
97.10220	0.7
98.06071	1.6
98.20815	0.7
98.97607	1.5
100.07637	1.8
101.06049	1.7
105.07039	8.3
107.04983	1.7
107.08605	5.3
108.04481	2.9
108.08123	12.5
108.08862	0.8
109.02868	0.9
109.10148	3.4
110.02461	1.6
110.06081	1.9
110.09713	1.9
110.10461	0.8
111.04462	0.8
114.05542	3.6
115.05514	0.9
116.07146	0.7
116.98693	0.8
117.07027	4.5
118.06563	0.7
119.04955	4.0
119.07336	1.1
119.08598	10.8
120.08103	3.1
120.08916	0.8
121.06555	1.0
121.08903	0.8
121.10143	1.4
122.06033	17.8
122.06906	1.1
122.09674	10.7
122.10497	1.0
123.08115	0.8
123.10478	1.7
123.11734	1.1
128.06223	2.0
128.07120	3.6
129.07040	1.1
130.05011	1.8
131.08574	1.7
132.06599	2.2
133.06502	1.5
133.10135	13.1
134.06049	2.6
134.09688	0.7
135.06839	0.6
135.08025	0.8
135.11720	2.8
136.07564	3.9
136.11217	4.3
137.09563	0.7
137.13206	1.0
143.08565	7.6
145.06557	0.8
145.10153	1.1
146.06020	0.6
146.07274	0.6
146.09610	0.7
147.04425	11.4
147.05531	1.0
147.08066	1.2
148.07573	7.0
149.08389	3.2
149.13301	4.2
150.09125	3.2
150.12781	22.7
151.13586	6.8
152.14392	2.1
153.07001	2.0
153.12794	0.9
153.15131	1.1
159.08044	0.9
160.06142	0.9
160.11226	1.6
161.09625	18.1
161.13348	1.0
162.09105	1.6
163.11182	0.9
164.07091	5.6
164.14372	1.9
166.15973	1.8
171.08058	8.9
174.09219	0.7
176.07082	6.4
178.08665	4.9
178.12306	2.2
178.15901	1.5
179.10716	1.6
179.14313	1.2
180.10139	0.6
188.10704	3.4
189.09128	11.1
189.10750	1.0
190.08644	11.7
190.12257	1.6
192.17508	1.7
194.11763	1.4
196.13190	0.6
200.10780	0.6
202.12163	1.0
204.13884	1.0
206.11818	2.2
206.19075	0.6
208.13362	1.1
210.12949	1.0
210.14908	5.6
212.16437	1.7
213.07970	3.0
218.11801	1.7
218.15385	5.3
220.20682	2.1
222.14972	1.5
225.08078	1.4
228.13818	3.6
231.09125	2.3
236.12839	5.4
236.16385	2.7
238.12283	0.6
238.18129	0.6
238.21623	0.9
239.09497	0.8
243.08992	2.4
246.14920	75.7
251.09520	2.9
253.22711	0.7
256.13345	13.5
261.10059	0.8
264.15967	27.2
264.19537	5.0
264.55618	0.6
266.21161	100.0
268.22601	2.9
269.10577	15.0
274.14380	28.2
274.18930	1.1
274.90042	0.5
287.11667	13.9
292.15436	55.4
292.22595	2.2
300.62445	1.0
310.16919	15.0
310.20160	10.6
310.23749	78.3
327.26407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01871	8.7
55.05515	34.4
56.96570	10.1
57.03445	14.9
57.07080	11.9
59.05006	9.4
60.29526	1.0
61.02950	1.4
65.03923	2.6
66.52489	1.2
67.05508	51.9
68.99795	1.0
69.03427	4.8
69.07072	53.8
70.06586	1.2
71.04995	5.6
71.08640	6.2
71.57475	1.5
72.71970	1.1
79.05495	37.2
81.03419	6.0
81.07062	100.0
83.04993	15.2
83.08149	1.6
83.08626	27.0
85.02899	3.4
85.06549	11.0
85.10153	1.8
91.05482	29.7
93.07048	52.0
94.07389	1.2
95.04972	12.8
95.08614	93.2
97.06536	14.7
97.10174	16.4
98.97575	4.1
99.04472	2.6
99.08105	12.7
103.05461	1.3
105.04530	0.9
105.07039	27.3
107.04962	8.2
107.07864	2.0
107.08601	41.0
109.02871	1.7
109.06519	14.4
109.10162	43.1
111.04472	6.2
111.08074	11.4
111.11734	9.5
112.99174	1.1
113.06017	3.5
113.09650	1.9
115.05476	1.1
116.98634	2.5
117.07038	5.9
119.04916	2.3
119.08592	28.3
121.06504	4.6
121.10145	27.7
123.04431	3.7
123.08079	15.0
123.11716	23.3
125.06022	2.7
125.09643	11.1
125.13293	2.8
127.07523	1.9
129.06999	4.1
131.00180	2.2
131.08559	8.8
133.06471	1.6
133.10144	13.4
135.08066	8.8
135.11694	20.0
137.09637	11.2
137.13268	14.7
139.11200	5.3
141.09103	1.8
143.08562	4.6
145.10144	10.0
147.03165	1.8
147.04402	3.6
147.08049	6.3
147.11703	11.7
149.01227	2.2
149.09618	4.5
149.13274	16.4
151.11198	2.5
151.14839	2.8
153.09117	3.4
153.12781	3.1
155.10667	4.0
157.10121	6.3
158.99675	1.5
159.08083	1.6
159.11716	4.2
161.09639	5.8
161.13252	7.7
163.11243	5.3
163.14803	7.0
165.09123	4.1
165.12752	2.8
165.16397	1.2
167.14296	1.4
170.99675	1.2
171.10146	1.6
171.11642	3.1
173.09622	1.9
173.13255	2.0
175.11264	2.3
175.14815	3.6
177.00668	1.9
177.12811	1.6
177.16393	4.5
179.10666	1.7
179.14304	10.2
179.17932	1.3
181.12239	2.8
187.14772	1.0
189.11223	5.8
189.12753	2.1
189.16367	4.3
191.17915	2.2
193.12282	3.2
197.13226	1.2
199.14815	4.1
203.17918	2.9
205.19467	1.9
211.13258	1.8
213.16504	1.1
217.15900	3.9
217.19495	2.5
219.13849	1.2
222.07187	6.7
222.57465	1.0
223.13304	3.6
224.08147	2.4
227.12683	2.0
227.17964	1.5
231.07816	3.4
231.21194	1.1
233.15262	1.5
235.16914	11.7
237.16498	2.1
242.58592	2.8
243.08937	1.8
245.11790	1.8
245.18999	1.8
251.23773	2.0
252.09294	1.6
255.17346	3.3
261.25784	2.2
263.19977	3.9
267.09177	1.6
273.18512	14.1
273.25723	7.0
277.21539	2.3
279.26813	5.3
284.12607	1.5
285.10181	1.8
291.19550	28.4
291.26733	9.2
300.12320	1.9
308.63937	1.2
309.14481	3.6
309.17084	4.2
309.20605	23.0
309.24805	1.9
309.28149	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	7.7
55.01878	10.3
55.05264	3.5
55.05513	42.5
57.03429	6.6
57.07071	5.7
63.26277	1.9
65.03941	4.2
67.05505	91.9
69.03429	6.1
69.07065	36.5
71.04987	6.5
71.08631	38.6
79.05491	51.3
81.03422	19.4
81.07060	62.8
83.04990	8.8
83.08617	22.7
85.06547	7.0
85.44338	1.8
91.05480	34.5
93.07043	65.9
95.04978	22.9
95.08607	53.3
97.06544	17.0
97.10168	30.9
99.08090	35.2
105.07027	38.3
107.04987	4.8
107.08599	44.2
109.06515	8.1
109.10154	31.1
111.08079	5.6
117.07016	12.5
119.08578	27.3
121.06520	3.4
121.10151	47.0
123.08089	6.4
123.11700	7.1
125.09635	26.9
129.07008	6.6
130.07782	2.3
131.08565	13.8
133.10130	21.0
135.08054	10.3
135.11707	23.4
137.09630	5.4
137.13223	2.7
139.07590	5.6
139.11186	5.8
141.12784	2.8
142.07809	3.8
143.08545	11.8
145.10123	20.9
147.11687	20.2
149.09619	4.7
149.13277	11.6
151.11198	28.6
153.09114	5.1
153.12706	2.2
155.08582	2.4
157.10168	10.2
157.12262	2.4
159.11729	10.7
161.09625	3.0
161.13269	10.8
163.11180	10.8
163.14845	5.1
165.12743	4.1
167.14391	2.3
169.10188	3.7
170.10832	2.0
171.11642	10.0
173.13284	7.2
175.14809	9.3
177.12804	2.9
179.14307	10.1
181.12251	2.2
185.13258	6.7
187.11095	1.8
187.14825	6.0
189.12718	3.8
193.15845	5.4
197.13260	3.2
199.14816	5.1
201.16333	2.1
203.12756	22.4
203.14268	2.1
207.17511	2.1
213.16484	2.4
217.14302	2.1
217.19379	3.2
221.15404	4.3
223.14661	2.1
231.21072	5.3
241.19504	11.5
259.20569	17.0
277.21631	100.0
291.23276	5.8
309.21933	12.2
309.24457	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46879	1.2
53.03943	9.9
55.01880	6.5
55.05512	20.7
57.07067	4.3
59.05012	1.6
60.63581	1.3
67.05508	43.4
69.03429	2.4
69.06724	2.5
69.07071	31.5
69.49876	9.8
71.05013	1.8
71.08619	3.1
79.05495	30.3
81.03425	45.0
81.03903	2.8
81.06587	2.1
81.07063	40.1
83.04986	10.7
83.08625	9.2
85.06541	3.3
85.10156	1.8
91.05489	15.9
93.07053	30.1
95.04978	22.9
95.08607	16.3
97.06518	4.4
97.10174	9.4
98.20818	2.7
99.08097	4.0
105.07037	16.6
107.08596	20.0
109.06517	5.4
109.10135	12.5
111.08070	2.0
117.07005	2.4
119.08579	9.8
121.10130	8.0
123.08034	1.9
123.11716	5.0
125.09641	14.0
128.77876	1.7
129.06985	1.8
131.08542	3.6
133.10152	10.5
135.08038	3.3
135.11716	9.1
137.09607	1.8
137.13226	1.8
143.08566	2.7
145.10110	3.0
147.11696	10.3
149.13261	5.3
151.11194	31.2
153.09087	4.8
161.13283	9.3
163.11179	2.5
163.14818	4.1
165.12793	7.8
171.11653	3.2
173.13272	2.2
175.14832	5.1
179.14307	4.7
185.13242	3.0
189.12695	2.1
193.12302	3.2
199.14865	1.8
203.12772	11.4
207.13794	3.4
221.15373	2.5
226.32671	1.6
231.21121	8.7
241.19566	6.4
245.86710	1.3
249.22116	5.7
259.20587	7.2
277.21640	100.0
309.24341	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	7.8
55.01886	3.2
55.05510	28.8
57.03186	2.8
57.03435	15.1
57.07077	5.6
66.83342	2.2
67.05511	63.6
69.07073	22.7
70.07894	10.8
71.05000	3.5
71.08289	3.5
71.08640	54.5
79.05498	51.8
81.03429	6.9
81.07061	70.7
83.04974	13.7
83.08613	12.9
85.06550	4.3
91.05487	29.4
93.07052	70.7
95.04978	10.8
95.08619	53.1
97.06527	10.0
97.10162	8.3
98.20752	2.4
99.08102	45.5
105.07052	25.4
107.04945	6.6
107.08602	42.5
109.10178	19.6
111.08079	4.5
113.09656	4.6
117.06999	6.6
119.08575	16.8
121.09338	2.4
121.10164	33.5
123.08103	4.1
123.11748	3.2
127.11247	4.1
131.08589	8.2
133.10143	16.1
135.11696	38.4
137.09604	6.7
141.09105	4.1
143.08583	3.4
145.10123	8.6
147.11719	7.6
149.13231	16.2
151.11182	24.0
153.12700	3.4
159.11667	5.0
161.13261	14.2
163.11201	10.4
163.14749	4.9
167.10747	2.6
171.11707	3.4
173.13206	2.3
175.73013	2.1
177.12779	5.3
179.14326	100.0
187.14746	3.6
189.12825	3.8
195.13853	4.7
221.15257	3.3
235.16960	4.5
241.19528	2.7
259.20508	7.6
277.21649	80.6
287.50418	2.6
291.23465	5.2
309.24252	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.02669	2.5
51.43757	2.4
52.51030	2.4
53.03944	5.7
55.01875	19.5
55.05310	2.5
55.05514	27.0
57.03418	5.0
57.07076	3.2
57.52179	2.4
60.75594	2.4
65.03956	3.3
67.05508	74.3
69.03415	6.9
69.07066	25.1
69.42432	8.0
69.42854	9.6
71.04983	8.3
79.05495	42.9
81.03419	5.6
81.07061	77.6
83.01349	4.5
83.04983	12.0
83.08601	10.9
85.06522	6.2
91.05482	53.2
93.07052	44.5
95.04956	11.8
95.08596	29.1
97.06508	8.1
97.10120	6.9
98.20747	4.5
99.04446	6.4
99.08075	6.1
104.90257	2.5
105.06387	4.3
105.07031	61.3
107.04939	8.1
107.08598	57.3
109.06509	10.4
109.10162	85.4
111.04414	7.2
111.08063	11.3
113.05972	7.3
117.07005	5.9
119.08596	15.2
121.06517	14.6
121.10128	11.0
123.04420	3.3
123.08065	11.3
123.11709	12.9
125.09662	3.3
127.07558	3.3
129.06970	3.6
131.08571	14.2
133.06480	9.0
133.10139	100.0
135.08061	4.4
135.11690	9.8
137.09598	6.0
139.07567	5.6
143.08525	7.7
145.10118	11.4
147.08031	7.9
147.11630	4.1
149.09619	6.5
151.11186	76.3
157.10092	4.2
159.11641	4.8
161.09598	13.5
161.13231	4.5
163.11118	5.6
169.12218	23.2
171.11749	6.4
179.10675	3.8
179.14449	3.0
181.12257	4.3
185.13336	3.0
189.12732	5.1
192.17534	2.5
203.14340	4.7
215.12772	7.1
227.17958	3.7
245.19070	17.1
255.17511	5.5
263.20108	16.0
273.18481	51.5
291.19522	70.0
309.20578	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.82878	0.9
53.03946	2.1
55.01874	26.7
55.02139	1.6
55.05511	9.8
57.03429	3.4
65.03951	2.5
67.05507	20.5
69.03425	1.6
69.07069	8.8
69.82764	4.2
71.04973	2.0
79.05495	12.8
81.03419	7.7
81.07058	18.8
83.04991	27.3
83.08617	2.2
85.02901	1.1
85.06569	1.5
85.40989	0.9
91.05479	9.1
93.03345	1.1
93.07050	15.1
95.04977	9.4
95.08611	10.2
95.13582	0.9
97.06542	17.7
97.10175	3.1
98.20849	1.2
99.04459	20.7
105.07025	7.2
107.04955	8.6
107.08595	8.2
109.06529	11.3
109.10152	6.2
111.04448	100.0
111.08107	2.7
113.05997	1.1
117.07021	4.0
119.08582	6.0
121.06499	3.3
121.10156	3.2
123.08066	6.6
125.09641	5.1
129.07047	1.8
131.08611	5.0
133.10123	5.7
134.82507	1.0
135.08073	5.7
135.11679	2.0
137.06032	0.9
137.09628	7.4
139.11172	1.1
143.08571	1.1
145.10129	2.0
147.07970	1.2
147.11647	2.0
149.09610	5.8
151.11137	2.3
153.09114	24.4
155.10765	1.7
157.10152	2.5
159.11749	2.6
161.09689	6.1
161.13322	1.4
163.11197	2.9
165.12802	1.0
170.75882	1.1
173.11771	2.5
175.11194	4.4
177.12698	2.4
179.10728	1.6
185.13315	1.1
189.11224	1.4
189.12796	2.2
193.12248	3.6
199.14799	1.2
203.10732	1.5
217.15907	2.0
221.11755	2.4
221.15262	1.2
245.19173	1.8
249.14946	1.9
249.18463	1.2
255.17566	2.6
263.20078	4.6
267.15924	1.8
273.18457	14.1
282.04681	1.1
291.19547	31.3
309.20596	26.1
309.23962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	1.5
55.01875	4.1
55.05511	20.2
57.03441	0.8
57.07066	0.6
59.05002	0.8
63.83002	0.5
67.05177	1.0
67.05503	13.6
69.03438	2.8
69.06718	0.8
69.07072	10.2
69.74765	1.1
69.75186	2.0
71.04997	1.2
79.05068	0.8
79.05496	12.4
81.03424	2.5
81.07056	13.5
83.04980	3.3
83.08623	10.0
85.06544	0.6
91.05491	8.2
93.07041	9.6
95.01344	1.2
95.04970	4.6
95.08618	6.4
97.02880	1.0
97.06503	1.1
97.10169	14.4
105.07035	7.3
107.04970	3.0
107.08598	8.2
109.02832	0.8
109.06506	1.7
109.10160	3.3
111.04431	1.5
111.08084	1.4
115.05518	0.5
117.07023	3.7
119.04939	0.7
119.08585	6.8
121.06496	1.8
121.10178	3.1
123.04412	0.7
123.08067	5.0
123.11662	0.8
125.09640	11.7
129.06979	2.0
131.08565	3.9
133.06488	2.6
133.10176	2.7
134.07190	0.8
135.08037	2.4
135.11665	1.4
137.09607	1.7
143.08546	1.4
145.10136	2.9
147.08028	2.9
147.11703	3.0
147.77647	0.5
149.09619	1.6
153.09103	1.7
157.10129	1.1
159.11797	1.2
161.09612	1.4
163.11198	1.7
165.09123	2.3
169.12248	0.6
171.10159	1.9
171.11633	1.0
173.09630	0.6
175.11226	1.2
181.12326	0.5
187.13005	0.6
189.11232	6.3
193.12227	1.1
205.12262	0.5
221.11699	1.2
223.13310	5.0
227.17906	0.6
237.16373	0.6
237.35031	0.6
245.19069	1.3
249.15004	1.0
255.17381	1.2
263.20020	1.0
273.18466	8.8
291.19547	100.0
292.19864	1.3
301.01694	1.0
309.13239	0.6
309.20557	3.6
309.24057	1.0
332.85123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.29979	1.2
53.03950	3.3
55.01864	4.0
55.05520	17.9
59.04998	1.3
59.23409	1.2
67.05510	21.8
69.03413	2.9
69.07066	7.0
69.71231	7.0
70.04080	1.2
70.54144	1.1
71.04990	2.6
79.05498	38.4
81.03418	2.4
81.07059	18.9
83.04972	1.6
83.08625	9.6
85.06579	1.6
91.04973	1.8
91.05499	17.8
93.07057	17.1
95.04968	6.0
95.08614	12.4
97.06544	2.3
97.10169	14.1
105.07038	11.3
107.04967	100.0
107.08601	18.2
109.06525	3.5
109.10159	17.9
111.07991	1.4
115.05476	2.5
117.07011	10.8
119.08596	24.1
121.06479	1.7
121.10136	7.0
125.09644	12.5
129.06984	3.9
131.08543	5.0
133.06441	2.2
133.10141	2.5
135.08060	47.8
135.11690	3.2
137.09625	9.0
143.08635	3.8
145.10147	8.5
147.08038	8.6
147.11723	2.7
149.09593	4.2
155.10687	10.3
157.10092	3.9
159.11665	1.6
161.09579	3.4
163.11150	2.0
165.09082	4.0
171.11667	2.0
173.11760	15.2
177.09076	1.6
180.26227	1.3
181.17314	1.5
189.11230	5.2
193.37318	1.2
249.14961	2.0
255.17325	1.7
273.18533	25.7
291.19540	42.3
309.20633	5.6
309.24017	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	4.7
55.01884	14.4
55.05265	3.4
55.05516	47.6
55.81929	1.5
57.03433	7.2
57.07069	2.4
59.04993	2.4
67.05508	45.5
69.03434	6.2
69.07072	21.5
71.00267	3.5
71.00599	1.6
71.04991	5.1
79.05499	42.4
81.03419	15.8
81.07060	99.6
83.04996	13.8
83.08619	22.6
85.02905	3.5
85.06545	4.7
86.02028	1.6
91.05480	23.9
93.07054	32.3
95.04964	16.1
95.08618	22.6
97.06538	11.1
97.10175	33.3
99.04472	3.3
99.08089	6.0
101.90390	1.6
105.07043	23.1
107.04943	9.8
107.08605	26.4
109.06532	19.1
109.10168	13.7
111.04468	16.4
111.08093	12.1
113.06010	4.1
117.07011	8.8
119.08587	19.5
121.06528	6.4
121.10149	12.6
123.08074	33.1
123.11700	2.9
125.06059	2.7
125.09631	29.6
128.08122	1.9
129.07016	3.8
131.08588	13.2
133.06525	2.7
133.10141	10.6
135.08031	9.8
135.11703	9.4
137.09601	9.7
139.11194	4.1
143.08585	2.6
145.10129	10.7
147.07066	1.6
147.08022	8.1
147.11705	6.5
149.06006	2.7
149.09644	7.4
149.13213	1.8
153.09105	4.8
153.12758	7.6
157.10147	5.5
159.11742	5.9
161.09593	4.6
163.11194	24.4
165.09137	7.3
165.12743	2.9
171.10245	4.8
171.11668	3.4
173.09595	3.1
175.11203	5.6
177.12791	2.1
181.12227	9.2
189.11241	26.1
189.12778	2.1
191.10727	7.7
193.12202	11.4
197.07980	1.8
209.11674	2.8
211.13310	6.0
217.15900	3.0
223.13292	4.7
227.12772	7.2
227.18022	2.0
233.15491	2.0
235.16904	2.4
245.19032	3.6
250.44449	1.6
255.17590	3.4
263.20010	3.8
273.18521	31.8
291.19556	100.0
309.20599	29.1
331.34738	1.8
331.39191	1.7
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	Soraphen O
Peak:m/z	Relative Intensity
53.03943	2.8
53.30911	1.6
55.01874	5.2
55.05512	5.2
57.03186	2.8
57.03442	34.7
57.07067	2.0
64.92226	1.5
65.03964	2.0
67.05511	27.7
69.07081	3.2
70.28296	3.5
70.28689	4.3
71.04984	4.0
73.28656	1.6
75.97752	1.6
78.02158	1.5
79.05496	19.3
79.65571	1.5
81.03416	3.0
81.07069	18.6
83.04978	2.3
83.08624	3.2
85.06543	32.5
89.73245	1.7
91.05468	13.4
93.07059	16.6
95.04979	40.2
95.08608	6.8
97.06508	1.9
97.10141	1.7
99.90952	1.7
105.07034	7.7
107.04967	6.7
107.08627	9.0
109.06524	46.3
109.10129	2.9
111.04440	2.7
111.08053	2.5
113.06015	100.0
117.07043	7.8
119.08591	7.7
121.06478	4.5
121.10194	4.4
123.08075	2.2
129.07027	3.7
131.08562	9.5
133.10127	5.0
135.08058	35.3
135.11728	4.5
143.08560	4.8
145.10162	7.9
147.08113	2.8
149.09686	2.5
157.10146	2.5
159.11714	2.6
161.09651	5.7
163.11211	3.9
173.13313	2.1
177.12759	2.4
185.13303	2.0
187.11223	1.8
191.10721	2.5
199.14873	2.3
203.31104	1.7
217.15872	12.7
237.16348	1.8
255.17593	2.6
273.18494	23.9
280.80234	2.1
291.19571	65.7
309.16705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	6.8
54.18715	2.2
55.01875	13.1
55.05512	17.4
57.03447	12.1
66.91431	3.2
67.05174	3.3
67.05510	45.2
69.07058	7.9
71.01208	5.0
71.04993	6.5
72.30065	2.1
79.05499	35.6
81.03410	6.2
81.06583	3.3
81.07060	62.4
82.14445	2.4
83.04996	18.2
83.08609	8.2
84.60397	2.1
85.02876	3.9
85.06523	4.0
85.29998	2.2
91.05479	28.8
93.07041	36.2
95.04975	39.8
95.08611	18.8
97.06518	8.4
97.10179	9.3
99.04477	5.1
105.07005	15.2
107.04969	11.7
107.08588	19.5
109.06519	37.7
109.10153	7.6
111.04451	28.4
111.08101	12.8
113.05998	11.1
117.07026	8.9
119.08593	19.9
121.06505	8.1
121.10147	15.4
123.08031	4.5
125.09638	5.4
129.07007	7.1
131.08563	19.1
133.06491	4.3
133.10129	7.3
135.08052	21.6
135.11717	11.2
143.08527	5.8
145.10129	15.3
147.08037	8.2
147.11679	3.2
149.09613	9.2
149.13255	2.8
153.12762	5.7
157.10152	4.2
159.11665	4.9
161.09569	5.1
163.11229	11.9
165.09129	4.7
171.11679	4.2
173.09566	3.0
175.11200	5.1
181.12228	11.2
187.11269	3.5
190.77876	2.5
191.10738	11.6
192.50169	2.3
193.93031	2.4
202.00645	3.2
217.15828	4.2
223.13257	4.4
227.12766	7.1
249.14897	7.3
255.17421	4.9
263.19891	2.7
273.18536	31.9
291.19556	100.0
309.20645	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.24247	2.8
53.03934	8.1
55.01862	10.5
55.05514	44.2
57.03437	31.9
62.08841	2.7
65.03925	4.6
65.62867	3.1
67.05505	38.2
69.03445	3.1
69.07059	11.7
69.66912	6.9
69.67308	14.9
71.04979	3.6
71.10773	3.1
71.34306	3.1
75.86517	2.7
77.91917	3.0
79.05492	49.7
81.03423	5.0
81.07064	68.2
83.04960	4.8
83.08623	19.3
85.06541	7.1
91.05474	41.4
93.07047	37.4
95.04978	14.6
95.08605	26.7
97.06516	6.7
97.10176	25.6
98.21436	5.9
99.08072	8.6
105.07024	29.4
107.04955	22.4
107.08576	24.6
109.05881	2.8
109.06493	19.5
109.10178	16.0
111.08058	5.8
115.05450	3.2
117.07012	23.6
119.08587	45.0
121.06506	10.6
121.10161	14.8
123.04417	3.4
123.08075	9.6
125.09622	23.0
128.06224	4.0
129.07007	9.7
131.08572	25.2
133.06538	3.8
133.10120	13.8
135.08055	14.5
135.11713	3.2
137.09602	7.9
143.08569	10.4
145.10138	30.4
147.08061	22.6
147.11736	5.8
149.09645	7.5
157.10106	11.5
159.08092	4.9
159.11671	4.7
161.09627	11.5
163.11156	6.3
171.10191	3.8
171.11610	6.3
173.13248	3.7
175.11172	7.9
183.11601	3.7
185.13153	4.3
189.11269	14.5
199.14870	6.5
217.15852	10.5
219.13814	9.1
222.07295	5.6
223.13266	4.3
227.17877	3.5
235.16908	6.4
237.00641	3.3
249.14893	4.0
255.17548	10.4
273.18506	66.4
283.23901	3.3
291.19531	100.0
309.16678	12.8
309.20453	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	309.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01880	7.2
55.05511	12.2
56.05038	2.2
56.96566	2.3
57.03188	1.5
57.03440	18.3
59.04989	2.0
60.04509	2.1
65.03925	2.2
67.05509	41.4
68.05036	1.9
68.05836	1.6
69.03413	3.6
69.07085	7.4
70.06598	10.6
71.01335	4.2
71.05010	6.0
71.06905	1.7
71.08640	1.4
71.57204	1.3
72.08150	2.0
73.46475	1.1
75.50620	1.2
79.05072	2.2
79.05499	31.7
80.05006	3.2
80.05811	1.3
81.03423	25.2
81.07062	24.6
82.06574	2.9
83.04971	6.1
83.08591	5.2
84.08128	4.7
85.02888	2.9
86.09713	1.5
91.05487	18.8
92.05763	1.2
93.07057	22.5
94.06561	5.2
95.04975	78.4
95.08619	7.9
96.08124	2.5
97.02887	1.9
97.06510	5.4
97.08933	9.1
97.10180	5.7
98.09675	2.6
98.97585	2.5
98.98460	1.4
99.08118	1.3
99.84890	1.0
102.02189	1.1
103.03919	6.3
103.05476	2.0
105.06475	1.3
105.07042	11.7
106.06529	1.5
106.07313	1.2
107.04954	15.1
107.08585	15.7
108.08138	2.0
109.02888	13.0
109.06523	7.4
109.10201	6.4
110.09687	14.7
111.04409	2.5
111.08065	3.5
111.10474	1.4
114.05544	2.0
115.05981	1.2
116.07076	2.1
117.07024	10.1
118.07380	1.1
119.04939	4.9
119.08598	14.6
120.08070	3.9
120.08925	3.0
121.06511	7.6
121.10170	10.4
122.09643	3.8
122.10492	1.2
123.04437	60.4
123.08041	3.2
124.11193	2.6
125.09630	6.2
129.07021	7.2
131.04912	2.7
131.08566	7.0
133.06483	3.2
133.10097	4.1
134.09653	6.3
135.08057	5.7
135.10065	3.0
135.11700	11.1
137.05948	3.7
137.09647	1.8
138.12730	1.4
139.03868	1.3
143.08578	5.5
145.10132	14.1
147.03375	1.7
147.04434	19.4
147.08047	6.0
147.11722	7.6
148.11201	3.8
149.06015	2.2
149.09593	3.7
149.11525	3.5
151.03870	1.8
151.07478	1.5
153.09096	4.6
155.08475	1.6
156.09264	1.4
157.10150	1.9
161.13271	1.2
163.11185	20.2
164.07027	2.4
165.07394	2.1
171.10336	1.9
171.11678	8.6
173.09587	6.5
175.11075	1.9
176.14334	3.1
178.15901	6.7
179.09084	1.7
180.10170	3.7
181.10556	5.8
181.11978	1.3
189.09013	1.2
189.11259	1.7
189.12770	10.9
191.10585	5.4
193.12230	2.6
195.08386	1.6
196.13237	2.4
199.11148	2.6
205.12184	1.5
207.13811	16.6
208.20546	2.2
217.12238	11.3
219.13812	1.4
220.20583	1.3
221.20168	1.2
223.21727	2.5
224.20116	1.7
235.13303	66.5
238.21681	1.3
245.15166	1.4
245.17455	1.3
247.21675	1.3
250.21614	2.6
251.24706	1.3
253.14302	2.6
253.22775	17.1
261.23270	15.1
262.21722	1.2
263.18350	4.6
273.14786	1.3
273.23248	14.8
274.21661	2.5
279.24271	4.9
291.17798	4.7
291.24268	13.4
309.07050	3.9
309.11499	2.1
309.16852	58.5
309.19141	32.6
309.25317	100.0
310.19794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01880	7.2
55.05511	12.2
56.05038	2.2
56.96566	2.3
57.03188	1.5
57.03440	18.3
59.04989	2.0
60.04509	2.1
65.03925	2.2
67.05509	41.4
68.05036	1.9
68.05836	1.6
69.03413	3.6
69.07085	7.4
70.06598	10.6
71.01335	4.2
71.05010	6.0
71.06905	1.7
71.08640	1.4
71.57204	1.3
72.08150	2.0
73.46475	1.1
75.50620	1.2
79.05072	2.2
79.05499	31.7
80.05006	3.2
80.05811	1.3
81.03423	25.2
81.07062	24.6
82.06574	2.9
83.04971	6.1
83.08591	5.2
84.08128	4.7
85.02888	2.9
86.09713	1.5
91.05487	18.8
92.05763	1.2
93.07057	22.5
94.06561	5.2
95.04975	78.4
95.08619	7.9
96.08124	2.5
97.02887	1.9
97.06510	5.4
97.08933	9.1
97.10180	5.7
98.09675	2.6
98.97585	2.5
98.98460	1.4
99.08118	1.3
99.84890	1.0
102.02189	1.1
103.03919	6.3
103.05476	2.0
105.06475	1.3
105.07042	11.7
106.06529	1.5
106.07313	1.2
107.04954	15.1
107.08585	15.7
108.08138	2.0
109.02888	13.0
109.06523	7.4
109.10201	6.4
110.09687	14.7
111.04409	2.5
111.08065	3.5
111.10474	1.4
114.05544	2.0
115.05981	1.2
116.07076	2.1
117.07024	10.1
118.07380	1.1
119.04939	4.9
119.08598	14.6
120.08070	3.9
120.08925	3.0
121.06511	7.6
121.10170	10.4
122.09643	3.8
122.10492	1.2
123.04437	60.4
123.08041	3.2
124.11193	2.6
125.09630	6.2
129.07021	7.2
131.04912	2.7
131.08566	7.0
133.06483	3.2
133.10097	4.1
134.09653	6.3
135.08057	5.7
135.10065	3.0
135.11700	11.1
137.05948	3.7
137.09647	1.8
138.12730	1.4
139.03868	1.3
143.08578	5.5
145.10132	14.1
147.03375	1.7
147.04434	19.4
147.08047	6.0
147.11722	7.6
148.11201	3.8
149.06015	2.2
149.09593	3.7
149.11525	3.5
151.03870	1.8
151.07478	1.5
153.09096	4.6
155.08475	1.6
156.09264	1.4
157.10150	1.9
161.13271	1.2
163.11185	20.2
164.07027	2.4
165.07394	2.1
171.10336	1.9
171.11678	8.6
173.09587	6.5
175.11075	1.9
176.14334	3.1
178.15901	6.7
179.09084	1.7
180.10170	3.7
181.10556	5.8
181.11978	1.3
189.09013	1.2
189.11259	1.7
189.12770	10.9
191.10585	5.4
193.12230	2.6
195.08386	1.6
196.13237	2.4
199.11148	2.6
205.12184	1.5
207.13811	16.6
208.20546	2.2
217.12238	11.3
219.13812	1.4
220.20583	1.3
221.20168	1.2
223.21727	2.5
224.20116	1.7
235.13303	66.5
238.21681	1.3
245.15166	1.4
245.17455	1.3
247.21675	1.3
250.21614	2.6
251.24706	1.3
253.14302	2.6
253.22775	17.1
261.23270	15.1
262.21722	1.2
263.18350	4.6
273.14786	1.3
273.23248	14.8
274.21661	2.5
279.24271	4.9
291.17798	4.7
291.24268	13.4
309.07050	3.9
309.11499	2.1
309.16852	58.5
309.19141	32.6
309.25317	100.0
310.19794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
53.87597	1.1
55.01881	6.9
55.05513	22.9
56.96544	3.4
57.03439	21.7
57.07048	1.7
65.03925	3.0
67.05505	34.8
68.99780	1.6
69.03404	3.8
69.07055	6.8
69.37064	7.8
70.06564	5.5
70.69261	1.4
71.01346	7.1
71.04960	4.5
72.08134	1.9
73.02888	1.8
77.96490	1.1
79.05074	2.0
79.05493	30.0
80.82896	1.3
81.02996	2.0
81.03417	28.5
81.07058	22.3
82.06577	1.4
83.04982	6.8
83.08633	10.1
84.08116	3.7
85.02894	7.8
85.06533	1.6
86.09676	3.9
91.04985	1.9
91.05486	25.6
93.07052	22.8
95.04971	95.8
95.08591	9.2
96.08119	2.3
97.02885	2.1
97.06523	3.0
97.08862	4.1
97.10182	5.8
98.09677	2.4
98.97549	5.6
100.11253	5.7
103.03960	7.4
103.05441	2.8
105.06399	1.3
105.07034	17.3
107.04318	1.2
107.04960	18.2
107.07999	1.4
107.08600	18.7
109.02882	13.0
109.06520	9.7
109.10171	5.8
110.09641	4.9
111.04408	4.3
111.08041	3.5
115.05450	1.6
116.10710	3.3
116.98573	3.6
117.07021	10.5
117.11028	2.0
119.04939	8.6
119.08596	13.1
120.08083	1.5
120.08913	1.5
121.02829	1.9
121.06498	7.8
121.10143	9.2
123.04433	76.7
123.08035	3.4
125.05978	1.7
125.09635	6.5
126.09132	1.9
127.03893	2.3
128.06174	1.3
129.07016	9.6
129.10107	1.3
131.04910	6.7
131.08575	10.1
133.06438	3.6
133.10120	7.8
135.04422	2.4
135.07997	5.2
135.11687	11.2
136.07553	6.4
137.05928	4.6
139.03886	2.3
143.08543	5.8
144.26204	1.3
145.02757	1.4
145.06465	3.5
145.10121	17.4
147.03378	1.5
147.04424	18.0
147.08028	10.6
147.11685	6.4
149.05879	2.9
149.09584	3.8
153.09058	6.6
155.08519	3.3
157.10086	1.8
161.05919	2.0
161.09619	2.6
161.13187	3.5
163.03917	8.3
163.11194	30.3
165.05380	1.2
165.12720	1.9
171.11673	9.0
173.09599	9.4
175.11102	1.4
178.15790	4.2
179.14293	1.4
181.04906	2.8
181.10371	1.5
182.15410	17.5
189.11284	1.7
189.12727	14.3
190.99661	1.4
191.03236	4.2
191.10619	6.6
193.12173	1.6
199.11090	3.6
207.13795	20.8
210.14792	4.7
217.12273	12.6
223.21616	2.5
228.14734	2.6
235.13292	77.4
239.07082	1.4
245.15352	1.7
247.21742	1.4
250.21599	1.7
253.14403	2.6
253.22658	3.5
261.23166	3.0
263.16220	3.7
273.14777	2.4
273.23035	1.8
277.09430	4.2
279.24252	1.3
281.08145	10.9
281.11166	2.2
291.24179	2.4
309.03922	4.9
309.07562	76.7
309.11151	5.8
309.16852	100.0
309.21674	10.7
309.25162	37.7
310.07684	2.2
327.26337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39372	0.1
62.44561	0.1
67.57371	0.2
69.27610	1.4
76.15096	0.1
77.89188	0.1
91.05491	0.5
105.07040	2.3
107.50750	0.2
117.07089	0.2
131.91083	0.1
132.08116	0.3
133.08881	7.1
135.98770	0.1
146.09648	0.3
148.11220	100.0
149.11591	0.5
194.11780	0.2
247.80234	0.2
291.13297	0.2
308.16061	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	309.097
Annotation	Allamandicin
Peak:m/z	Relative Intensity
55.01857	3.6
55.05505	3.9
56.96563	2.8
57.03436	4.5
60.04517	1.8
61.22926	1.7
67.05521	3.9
69.03432	3.8
69.07062	4.1
70.01724	7.3
70.06597	12.7
72.08157	4.4
73.02914	6.2
76.55348	1.7
79.05492	3.7
81.03426	4.1
81.07072	3.6
82.06598	1.7
84.04494	5.3
84.08142	6.2
85.02918	6.5
85.06562	1.9
86.09710	14.0
88.04031	1.6
91.05486	8.5
93.03375	2.2
93.07041	4.0
95.04993	3.5
95.08599	2.7
97.02914	3.3
97.06562	1.8
98.97602	2.6
98.98502	1.6
101.02370	3.6
102.05568	1.9
103.03925	5.0
103.05459	3.7
105.07040	2.8
107.04963	2.1
109.02912	2.5
110.07167	2.6
111.04433	1.8
115.05453	9.9
116.07139	1.6
117.03367	4.9
117.06988	3.2
119.04932	5.4
119.08566	2.5
120.08109	2.2
121.06496	2.0
123.04417	2.1
125.09552	1.6
128.28604	2.2
129.07007	7.1
129.10240	3.4
131.04927	7.1
133.06467	1.9
137.06033	4.1
141.07010	5.9
143.04926	15.8
145.02812	2.2
145.06499	3.7
146.03642	3.0
147.04411	15.2
149.05983	28.9
151.03882	2.6
153.05505	7.7
155.01018	2.3
157.06506	5.9
159.04419	3.8
160.05249	8.1
161.05984	17.5
162.03137	3.4
163.03979	2.2
163.07532	3.9
167.07008	3.7
169.06528	4.6
171.04417	11.1
175.03922	11.3
175.07564	29.6
176.04649	5.9
177.05473	100.0
179.07108	2.9
181.08592	11.6
184.05228	3.7
185.06013	6.3
186.06818	2.0
187.07570	4.2
189.05508	10.2
189.09087	3.4
190.06271	2.4
191.07014	14.7
193.04961	4.8
195.04497	2.3
195.06544	6.5
197.05879	2.5
199.03900	2.4
199.07607	3.8
201.05499	7.3
201.09157	5.0
203.07050	29.9
204.04269	2.0
205.05016	4.9
205.08727	2.9
207.06543	37.1
212.04741	5.0
213.05460	5.8
214.06430	2.8
215.07059	4.3
217.08548	7.7
219.06613	11.6
221.08141	6.1
227.07047	18.0
229.04962	2.9
229.08640	6.1
231.06564	22.4
233.08154	2.0
235.06064	2.6
245.08125	27.8
247.06033	6.3
249.07634	13.3
261.07727	2.8
263.09128	6.2
273.07581	23.2
286.04474	4.0
287.04453	1.7
291.08624	14.4
291.19699	2.5
309.09741	30.7
309.18655	1.8
309.25488	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
56.96570	50.0
57.03424	0.5
67.05500	0.9
69.07075	0.5
71.94888	0.5
71.95266	9.3
72.96048	3.7
74.97607	1.0
79.05470	1.3
81.07043	1.4
83.04939	0.6
83.08617	0.6
84.96041	2.5
86.90544	0.4
88.07621	0.7
91.05519	0.9
92.05827	0.5
93.07055	0.6
94.07362	0.6
95.08601	1.2
96.08936	0.5
97.10145	0.4
97.96816	1.0
98.06811	0.4
98.97651	0.4
103.84196	0.4
105.00159	0.9
105.07021	0.7
107.08623	0.5
109.06534	2.2
109.10175	0.4
110.06839	1.1
110.97562	2.1
112.99126	0.5
115.00723	0.5
119.01714	1.7
123.01184	0.9
127.00633	1.2
128.98668	2.0
135.08017	0.4
136.08408	0.5
137.02766	2.9
139.00661	2.1
141.02248	3.4
143.00150	0.8
151.00639	1.4
153.02248	2.6
153.03310	0.5
155.03822	2.0
157.01706	1.5
159.03320	3.0
161.01196	0.5
165.02255	0.5
165.05936	0.5
167.00177	0.5
167.03865	1.1
169.01724	1.1
169.05418	0.6
171.03288	3.5
173.04834	1.0
175.02773	0.9
175.93085	0.4
181.01727	0.7
183.03247	0.8
185.01210	1.3
185.04863	2.8
189.04391	1.7
189.14029	0.4
193.05392	1.0
195.06950	0.6
197.04860	0.5
199.02742	2.7
199.06467	1.4
203.02251	1.3
203.05879	1.6
211.06468	3.1
213.07947	0.7
217.03857	1.9
217.07492	0.9
219.07036	0.6
221.08594	0.7
223.06601	0.5
223.10034	9.1
225.08028	0.7
229.07448	1.1
237.08029	2.2
239.09610	0.9
241.11124	91.6
249.08009	2.6
255.09062	0.4
259.12195	77.5
263.05756	0.5
264.12787	7.3
267.09048	20.8
267.62991	0.5
276.20331	0.5
282.13800	4.4
285.10104	100.0
286.10400	0.6
290.18311	2.0
303.11169	48.7
305.15118	0.5
307.26697	0.8
308.08047	0.6
308.11688	11.4
308.19257	1.8
308.23016	0.7
308.26794	3.1
321.12222	0.5
326.12750	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.72078	1.4
53.03938	3.7
55.01861	5.9
55.05262	1.9
55.05509	27.4
56.85537	1.2
56.96566	20.6
57.03436	9.2
57.07076	15.2
59.04984	2.6
65.03929	4.4
65.47083	1.2
67.05505	42.8
69.03433	6.7
69.07069	65.2
70.03167	3.8
70.06586	3.3
71.05003	9.9
71.08627	7.3
79.05057	2.2
79.05495	30.7
81.03398	6.1
81.07057	98.7
83.04985	10.9
83.08147	1.8
83.08622	27.6
84.96037	2.1
85.02888	2.5
85.06544	10.5
85.10136	1.7
86.09682	1.7
87.04443	2.3
89.03895	2.0
89.07922	1.3
91.05481	26.8
93.07045	51.8
93.07629	2.8
95.04371	1.9
95.04973	40.3
95.08609	73.4
97.02881	1.9
97.06535	51.6
97.10168	16.3
98.06887	2.6
98.21427	1.3
98.97578	5.2
98.98463	1.4
99.04447	1.5
99.08076	3.6
101.06049	2.0
103.05408	1.9
105.07024	30.0
107.04974	6.2
107.08594	39.5
109.06519	22.5
109.10158	39.2
109.10918	1.7
111.04398	3.2
111.08076	17.0
111.11720	9.3
113.06008	18.0
116.98622	2.2
117.06993	7.2
119.01868	1.7
119.08584	19.3
120.08086	4.6
121.06496	14.2
121.10143	25.6
123.08078	16.7
123.11708	40.5
124.99109	19.2
125.05977	1.7
125.09608	6.2
125.13228	2.3
126.57337	1.4
127.00661	1.7
127.07588	2.8
128.06172	1.5
129.06987	3.5
129.09113	1.9
131.08571	11.2
133.06499	2.3
133.10120	17.9
135.04417	3.9
135.08086	7.2
135.11700	16.9
137.05946	2.9
137.09607	4.3
137.13242	16.6
139.07446	1.8
139.11188	9.3
143.00179	35.1
143.08554	2.8
145.02785	2.6
145.06549	2.3
145.10118	11.1
147.08023	1.9
147.11656	10.9
149.09569	2.9
149.13283	14.1
151.11176	14.9
151.14796	2.0
153.12723	2.5
155.10683	1.9
157.10144	2.4
159.04437	3.4
159.08066	3.7
159.11641	9.4
161.01204	15.3
161.02397	5.6
161.09647	4.2
161.13232	6.8
163.03888	17.3
163.07584	2.7
163.11166	5.3
163.14803	5.6
164.04288	1.7
165.09132	1.4
165.12744	5.7
165.16309	1.8
166.01776	2.2
167.00162	2.3
167.03656	2.4
167.08557	1.7
167.10674	2.5
167.14272	2.5
169.10152	1.4
169.12202	3.0
170.99654	2.7
171.11664	2.4
173.02351	11.6
173.13309	3.0
175.07593	1.4
175.11151	3.1
175.14835	5.2
176.04111	4.3
177.12759	2.4
177.16418	4.5
179.17957	1.5
181.12250	2.1
185.01239	17.2
187.02805	2.0
187.11250	1.8
187.14879	3.7
189.00746	4.9
189.11200	3.3
189.16402	4.7
191.17909	4.0
193.12247	1.7
197.13277	2.1
199.11237	2.8
201.16391	3.4
201.20436	2.2
201.36209	1.3
203.02257	8.1
203.05807	2.2
203.17914	2.4
205.19452	1.5
213.00786	2.3
215.07021	19.6
215.14438	2.1
215.17941	3.9
216.07468	2.6
217.12151	3.2
219.17607	2.0
225.16426	1.9
229.19603	1.5
231.01752	6.8
235.13275	7.1
236.05020	2.1
245.05766	12.7
245.22874	6.0
245.56023	4.3
249.02797	11.9
253.15973	2.5
254.06284	6.1
254.56429	1.9
259.09662	49.9
259.23923	1.5
260.09845	8.6
261.18634	1.9
266.09457	1.9
267.03912	25.0
267.08853	7.3
268.04385	2.2
271.06247	1.7
271.16992	8.1
271.24222	11.6
272.04398	3.1
275.20102	4.5
285.04950	16.1
285.09952	8.8
286.05240	2.0
289.18069	17.3
289.21136	1.7
289.22342	2.5
289.25244	21.9
290.05380	7.2
302.11545	2.1
304.96930	1.3
307.09564	3.2
307.15594	1.9
307.19003	14.6
307.26364	100.0
308.06467	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	307.263
Annotation	Crinitol
Peak:m/z	Relative Intensity
52.90392	1.3
53.03939	1.7
55.01864	4.6
55.05508	21.6
56.96564	18.3
57.03429	4.1
57.07088	9.7
58.06590	1.7
59.04993	2.2
65.03955	1.9
67.05502	27.5
69.03436	6.5
69.07068	56.3
69.39252	1.3
69.74985	1.2
70.06593	9.7
70.50502	3.1
70.75993	1.3
71.04992	7.2
71.06927	2.3
71.08624	3.1
72.08147	1.2
72.68107	1.1
73.02908	1.4
73.06566	1.6
77.03915	1.4
79.05495	20.2
81.03432	2.5
81.07059	68.2
83.04974	7.7
83.08617	20.2
84.96043	1.7
85.06534	8.9
86.09694	2.2
88.07626	4.0
88.77341	1.3
89.03893	2.8
89.06036	2.5
91.05482	14.2
93.07046	37.5
93.07628	2.2
95.04976	16.8
95.08608	49.1
97.05913	1.7
97.06531	32.0
97.10161	6.7
98.97626	2.6
98.98397	1.7
99.04411	1.4
99.08087	3.9
101.06017	3.6
105.07031	19.9
107.04939	4.7
107.08601	27.3
109.06537	11.4
109.10161	33.4
111.04431	2.4
111.08083	16.1
111.11722	10.8
113.05308	1.3
113.05983	7.1
115.05473	1.4
116.98625	1.5
117.03374	1.6
117.06996	5.8
119.08581	15.9
120.08063	2.0
121.06502	5.6
121.10152	20.8
123.08063	4.1
123.11713	22.2
124.99110	16.6
125.05990	2.2
125.09641	6.0
127.07613	1.9
128.06201	1.2
129.06906	1.6
130.50853	1.2
131.08562	4.8
132.10196	3.1
133.10095	12.3
134.03583	2.1
135.04436	3.4
135.08023	4.7
135.11678	14.5
137.05960	2.9
137.09604	4.0
137.13280	11.3
139.11180	10.5
143.00169	21.5
143.08589	3.1
145.02853	3.9
145.10130	9.5
146.11751	3.5
147.08083	2.2
147.11671	9.2
149.09619	3.4
149.13258	9.0
151.11172	8.3
151.14888	1.7
153.12755	4.8
157.10158	1.6
159.08060	2.1
159.11716	5.6
159.41837	1.3
161.01213	10.5
161.09663	1.5
161.13281	4.7
163.03915	21.5
163.11179	2.8
163.14815	5.6
164.04260	2.4
165.12769	6.7
166.01805	1.4
167.00189	2.0
167.03711	1.8
167.14275	1.9
169.01727	2.1
171.11681	1.9
173.02374	6.2
173.13266	3.1
175.11105	1.9
175.14792	2.3
176.04074	2.3
177.12828	2.1
177.16351	4.0
179.10582	1.7
185.01230	11.6
185.04678	1.4
187.02666	1.4
187.11157	1.7
187.14749	1.8
189.00742	3.4
189.16348	3.6
191.17932	1.5
200.20181	1.9
201.16353	2.6
201.20483	8.2
203.02237	4.9
207.17459	1.3
209.19049	2.1
213.00740	2.3
215.07014	7.0
216.07509	1.6
231.01740	4.7
231.20972	1.4
233.15347	1.9
233.19049	1.9
235.13240	2.0
236.05249	2.5
237.00616	2.3
244.22791	2.7
245.05673	8.3
245.23053	19.1
245.55832	3.0
249.02792	9.6
254.06239	12.5
254.56421	4.0
259.09662	33.3
260.09991	7.2
265.57034	2.0
267.03870	18.8
267.08905	8.0
268.04294	1.8
271.16840	2.8
271.24109	4.0
272.04376	3.0
275.20020	3.6
277.25177	2.5
284.06409	2.4
284.09186	1.6
285.04953	11.3
285.09982	8.2
286.05087	1.8
289.17950	11.9
289.25275	12.5
290.05505	5.4
307.09692	1.6
307.15649	2.5
307.19113	9.8
307.26593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	9.3
53.93949	2.3
55.01869	32.7
55.05520	33.1
55.11720	2.4
55.93521	2.9
56.96558	3.2
57.03447	18.4
59.05003	4.5
65.03948	5.9
67.05505	47.9
69.07071	29.2
71.04994	7.4
73.06593	3.1
79.05495	73.4
81.03420	5.9
81.07059	67.7
83.04971	10.5
83.08617	30.4
85.06551	10.5
91.05484	63.7
93.07046	85.2
93.07633	4.4
95.04979	24.0
95.08607	47.3
97.06540	32.4
97.10177	18.2
98.98448	4.9
99.08054	5.1
103.05446	2.6
105.07034	64.5
107.04955	12.9
107.08599	76.0
109.05389	3.1
109.06527	28.0
109.10145	16.6
111.08094	11.5
111.84112	2.7
112.20017	3.2
117.07011	21.1
119.08578	51.2
121.06531	14.0
121.10143	44.4
122.03649	3.0
123.08060	12.9
123.11722	3.5
125.09634	21.4
126.67461	3.0
129.07019	9.4
131.08559	27.8
133.06444	3.5
133.10135	34.4
135.08087	8.9
135.11684	14.8
137.05981	53.3
137.09618	7.5
137.13248	3.8
138.06313	39.9
139.07532	5.8
139.11134	2.6
141.07002	4.5
143.08562	9.5
145.10153	30.0
147.08061	4.7
147.11696	32.3
149.09615	19.8
149.13213	4.4
151.07568	8.8
151.11194	7.2
153.09042	4.5
155.08511	4.1
157.08662	3.3
157.10106	12.0
159.08075	5.1
159.11714	28.0
161.09564	3.7
161.13251	15.7
163.11191	14.6
165.12776	4.4
169.10213	2.8
171.11745	6.4
173.13245	13.8
175.11218	6.4
175.14803	6.6
177.12807	4.7
183.11703	6.7
185.13301	21.7
185.14767	3.5
187.14705	3.2
189.11212	6.7
189.12721	3.0
191.14305	5.6
193.12236	3.3
197.13356	3.4
201.12753	3.4
201.16380	5.6
203.12848	4.6
203.14345	18.5
219.17448	20.4
229.19556	3.7
233.15500	3.5
235.16901	19.9
239.17972	11.6
247.20590	4.7
257.19040	29.3
261.18494	3.4
271.17065	4.5
275.20065	100.0
285.10120	3.7
289.17996	18.2
289.21585	32.3
298.11957	3.3
307.18863	50.1
307.22626	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01625	2.4
55.01877	29.2
55.05511	27.0
56.96576	2.9
57.03437	13.5
59.05006	3.0
65.03940	3.6
67.05508	45.1
67.78066	1.9
69.03424	5.4
69.07073	23.5
70.88184	6.0
71.04993	5.2
79.05495	73.0
81.03421	4.4
81.07061	56.7
82.61871	1.9
83.04983	10.0
83.08614	22.0
85.06536	9.5
91.05485	51.6
93.07047	73.4
95.04995	16.4
95.08611	37.8
97.06538	35.5
97.10189	17.9
98.98531	2.0
99.08086	4.1
101.05998	2.4
103.83871	2.4
105.07035	57.8
107.04952	12.6
107.08598	84.7
109.06521	26.7
109.10159	16.9
111.08076	9.9
111.28574	2.0
117.07043	12.9
119.08588	46.3
121.06510	9.3
121.10145	41.5
123.04317	2.1
123.08089	10.6
123.11655	3.3
125.09621	15.0
129.07002	8.5
131.08589	26.2
133.06540	3.5
133.10120	33.3
135.08025	8.1
135.11728	12.2
137.05989	28.8
137.09637	6.4
137.13255	4.2
138.06308	23.3
139.07539	9.3
143.08553	9.9
145.10117	27.6
147.08040	4.6
147.11690	22.4
149.09604	21.8
149.13300	3.7
151.07561	5.9
151.11160	8.9
153.09084	5.7
153.12764	2.4
155.08536	4.4
157.08693	2.0
157.10127	7.8
159.08075	3.7
159.11690	26.7
161.09595	3.8
161.13275	15.5
163.07526	3.2
163.11168	14.0
165.12752	4.0
169.10136	5.0
171.11688	5.1
173.13243	10.8
175.11185	2.9
175.14868	4.9
177.12817	4.3
183.11722	6.3
185.13261	21.7
187.11243	4.2
189.11218	6.2
189.12770	3.2
191.14352	4.3
193.12144	9.7
194.93094	2.2
197.13330	4.5
201.16447	2.9
203.12708	7.2
203.14359	13.9
215.17859	2.5
219.14030	2.6
219.17467	20.8
223.16940	4.2
229.19537	5.5
235.16917	21.4
239.18011	14.9
247.20509	3.2
257.19019	22.2
261.18597	3.3
271.16901	3.8
275.20084	100.0
285.10095	5.5
289.17978	17.6
289.21606	34.8
307.18866	36.0
307.22662	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01869	4.3
55.05516	19.9
56.14305	1.2
57.03430	4.2
57.07080	1.5
67.05180	1.5
67.05513	21.4
69.03421	2.0
69.07076	30.1
69.50886	2.2
69.51292	5.9
71.05000	2.8
71.61300	1.1
74.23893	1.2
79.05501	45.0
81.03435	4.1
81.07065	23.9
83.04980	7.5
83.08637	7.9
85.06551	1.2
88.94511	1.2
91.05497	24.2
93.07053	42.0
94.44501	1.3
95.04996	8.2
95.08621	19.5
97.06551	7.8
97.10160	3.9
97.48548	1.1
98.21487	1.8
99.08135	1.3
105.07047	27.8
107.04968	43.6
107.08609	24.0
109.06551	3.0
109.10163	6.2
111.08051	2.5
111.11708	3.2
116.19619	1.2
117.07047	6.4
119.08588	21.2
121.06525	1.9
121.10164	23.0
123.08076	1.6
123.11681	2.3
129.07024	2.3
129.37427	1.2
131.08583	11.8
133.10139	18.3
135.08066	31.3
135.11710	3.6
137.09624	2.5
139.11198	20.0
143.08565	1.6
145.10114	8.0
147.11682	9.0
149.09651	9.0
151.11230	3.1
155.08585	2.2
157.10178	1.4
159.11719	5.2
161.13315	1.7
163.11166	5.2
165.12706	1.5
167.10728	1.9
171.11650	1.2
171.13797	2.9
173.09631	2.4
173.13232	3.3
177.12820	1.7
183.13864	2.1
191.14354	1.5
197.13203	1.2
201.14868	1.6
217.14355	25.4
219.13892	2.8
219.17450	2.2
229.19652	2.1
239.17885	3.3
247.20598	3.5
257.19107	7.3
275.20084	100.0
307.19415	1.8
307.22696	14.6
322.96460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03935	1.6
54.68803	0.6
54.83235	0.6
55.01885	3.3
55.05272	1.1
55.05513	14.8
57.03418	2.7
57.07063	1.7
59.05015	3.2
60.45393	0.6
65.03922	2.2
67.05507	23.1
69.03436	1.4
69.06728	0.8
69.07071	11.5
71.04993	7.7
73.06548	1.8
74.46320	0.6
74.64925	0.6
79.05495	20.3
81.03418	1.7
81.06593	1.3
81.07060	24.2
83.04991	3.3
83.08618	7.9
85.06524	2.6
87.04459	1.0
87.08077	0.6
91.05484	29.9
93.07048	25.0
94.04135	0.7
95.04977	8.1
95.08610	17.2
97.06535	10.1
97.10172	3.6
99.08068	2.4
103.05473	0.6
105.04523	1.1
105.07036	37.0
105.71094	0.6
107.04941	2.7
107.07874	1.0
107.08600	20.0
109.06524	35.2
109.09464	0.8
109.10159	10.8
110.07284	1.9
111.04436	0.8
111.08105	3.7
115.05419	1.1
117.07021	8.1
119.08588	29.2
121.02866	1.3
121.06510	6.4
121.10149	11.6
122.07259	0.9
123.04400	1.0
123.08076	10.8
123.11694	2.2
123.27540	0.6
125.06000	0.7
125.09648	4.5
128.06232	0.7
129.06990	2.4
131.08569	13.3
132.09319	0.6
132.51765	0.7
133.06467	1.7
133.10136	18.5
135.08054	8.4
135.11714	4.7
136.08818	1.1
137.09639	7.9
139.11159	0.9
141.06985	1.2
143.08577	2.5
145.06435	0.8
145.10121	10.3
147.08041	2.0
147.10649	1.1
147.11693	15.0
149.05916	0.9
149.09599	6.8
149.13243	1.9
151.07544	0.8
151.11194	16.6
155.08528	1.8
157.10132	2.3
159.08064	2.1
159.11703	8.1
161.09630	2.4
161.13255	3.0
163.07549	1.4
163.11195	9.0
163.14810	1.0
164.11931	0.7
165.09065	0.9
165.12767	8.2
167.10661	0.7
169.10118	3.0
171.11658	2.5
173.09593	1.3
173.13264	4.9
175.11197	1.8
175.14711	0.8
177.12706	3.6
179.14276	2.3
183.11682	2.8
185.13223	0.8
187.11131	1.2
187.14810	2.0
189.12744	1.3
191.10698	0.9
191.14297	1.8
197.13322	3.4
201.12718	1.3
205.12350	0.7
205.15942	0.7
213.16409	1.2
215.14264	1.1
215.17982	0.7
219.13777	1.6
229.15948	0.9
229.19568	6.7
233.15329	2.4
237.14890	1.4
239.16147	0.9
239.18024	9.3
243.17415	0.9
247.20609	3.3
249.18408	1.4
251.16376	1.2
253.15749	0.6
257.19006	10.3
261.18484	1.2
265.17938	1.1
271.16879	1.9
275.20068	48.1
277.21481	0.8
289.17935	7.2
289.21695	2.9
307.09552	1.4
307.19104	8.5
307.22638	100.0
307.70203	0.7
308.22818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03944	4.1
55.01878	23.0
55.05265	2.5
55.05514	35.1
57.03421	3.0
65.03934	2.8
67.05507	45.6
69.03437	3.0
69.07071	20.2
69.90971	9.7
71.04998	4.2
79.05495	51.6
81.03427	7.5
81.07064	48.2
83.04980	6.3
83.08614	18.6
85.06529	2.8
91.05483	37.3
93.07055	35.4
95.04974	11.8
95.08615	25.9
97.04233	1.8
97.06534	23.3
97.10170	25.1
105.07038	38.4
107.04967	21.3
107.08601	74.7
109.06512	11.7
109.10165	16.7
111.08083	5.6
117.06994	8.9
119.06087	2.0
119.08595	26.8
121.06535	6.5
121.10139	16.0
123.08082	6.8
123.11755	2.2
125.09639	27.2
129.06990	4.7
131.08588	17.3
132.09315	1.6
133.10132	22.2
135.08055	7.5
135.11679	6.7
137.09631	7.7
139.07529	1.9
139.11220	2.7
141.07047	2.4
143.08568	3.9
145.06485	2.2
145.10150	16.3
147.08037	4.2
147.11710	12.8
149.09641	20.4
149.13286	3.4
151.11203	7.6
153.09128	6.5
157.10184	2.6
157.12297	1.9
159.08186	1.9
159.11690	12.6
161.09584	1.9
161.13261	6.3
163.11183	11.9
163.14865	2.1
165.09096	2.1
165.12793	3.9
169.10091	2.4
171.11714	5.5
173.09666	2.3
173.13300	5.2
175.11162	2.4
177.12766	3.8
181.12218	2.0
183.11737	2.7
187.11232	3.9
187.14865	2.4
191.14394	2.5
193.12244	2.4
197.13376	4.2
203.12802	22.7
217.14294	3.3
229.19626	4.6
239.17981	7.0
247.20605	5.2
257.19037	15.7
275.20087	100.0
285.00867	2.1
289.18439	3.0
289.21613	13.6
307.19064	2.9
307.22644	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01873	16.8
55.05516	39.4
57.03449	3.9
67.05510	41.1
69.03434	3.8
69.07072	28.0
69.89380	14.2
71.05018	4.9
75.17860	3.1
79.05496	58.3
81.03427	15.3
81.07063	53.5
83.05001	18.9
83.08622	12.0
85.06534	6.1
91.05477	33.4
93.07044	43.3
95.04946	9.4
95.08623	24.8
97.06548	33.9
97.10167	36.1
98.21482	5.8
99.04465	3.5
99.08047	3.4
105.07037	47.3
107.04952	29.5
107.08598	55.9
109.06554	5.7
109.10159	13.7
111.08096	6.6
117.07030	13.1
119.08585	29.4
121.06565	2.9
121.10127	17.6
123.08095	7.7
123.11720	5.6
125.09632	43.2
131.08571	17.5
133.10150	40.9
135.08044	17.1
135.11711	11.4
137.09528	3.7
145.06458	5.0
145.10103	15.8
147.11713	16.3
147.12648	2.7
149.09628	47.3
149.13283	6.9
151.11305	2.6
153.09119	10.1
157.12234	5.4
159.11711	15.4
159.12857	3.2
161.13326	3.7
163.11159	5.2
171.10260	2.9
171.11690	4.9
173.11832	3.9
173.13255	6.3
177.12790	15.7
179.14331	6.8
187.11208	7.9
187.14781	3.6
203.12791	36.8
203.14505	3.9
209.15388	11.7
219.17429	13.4
229.19672	4.2
247.20609	3.3
257.19019	12.7
275.20062	100.0
307.22656	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.05242	1.8
53.03947	5.1
54.28252	1.6
55.01868	8.6
55.05514	27.6
57.03434	3.7
57.07080	4.2
65.03959	1.7
67.05507	66.4
69.03439	2.7
69.07073	15.6
69.22475	17.9
71.04995	3.7
72.15105	1.8
79.05503	34.7
81.03418	10.3
81.07059	53.4
83.04979	12.6
83.08625	10.2
85.06551	5.7
91.05486	43.1
93.07043	32.0
95.04975	7.8
95.08613	36.6
96.19124	1.9
97.06525	6.4
97.10172	6.0
98.21528	3.7
101.73357	2.0
103.05530	2.2
105.07032	39.8
106.04176	1.8
107.04970	8.4
107.08612	24.0
109.06539	6.2
109.10168	23.5
111.08091	4.5
117.07002	10.8
119.08589	37.5
119.09447	1.8
121.06528	4.9
121.10149	14.7
123.04418	2.8
123.08098	9.3
123.11714	7.1
125.09615	10.1
131.08591	18.4
133.06488	3.2
133.10138	35.5
133.36099	2.0
135.08073	6.5
135.11642	9.1
137.09625	19.5
145.10147	14.3
147.11687	23.8
149.09633	14.7
149.13231	2.0
151.11234	6.4
157.10075	2.3
159.11682	10.4
160.84122	2.0
161.13280	6.2
163.11227	5.0
163.14885	3.8
165.09120	5.2
165.12834	2.6
169.10233	2.6
169.12228	1.6
171.11711	5.5
173.13187	12.0
175.11238	2.8
177.12744	5.3
181.58865	1.7
183.11760	2.3
187.11226	3.8
187.14879	2.8
191.14342	1.9
196.16589	2.1
197.13318	4.7
201.12740	3.6
229.19583	7.4
239.18021	6.4
247.20659	8.2
257.19073	10.4
267.00516	1.9
275.20081	100.0
279.23248	3.4
289.21692	5.3
307.22656	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.64471	2.4
53.03939	11.7
55.01871	15.7
55.05519	24.0
57.03432	2.7
59.04977	3.6
65.37314	2.5
67.05509	41.0
69.03413	2.7
69.06726	2.6
69.07069	35.7
70.41019	6.8
71.04973	4.8
73.06590	2.3
74.70785	2.1
79.05492	42.6
81.03432	18.8
81.07061	62.1
83.04976	9.4
83.08617	12.0
85.06568	3.3
91.05486	49.9
93.07041	45.1
95.01306	3.2
95.04976	14.1
95.08613	38.4
97.06533	30.1
97.10155	11.2
98.20839	3.3
105.07033	61.2
107.04949	24.8
107.08596	28.1
109.06516	7.0
109.10140	9.9
111.08051	4.0
117.07020	37.8
119.08592	27.2
121.06486	6.8
121.10130	20.4
123.08061	7.4
125.09628	9.2
129.06984	5.0
131.08562	30.0
133.06512	3.6
133.10139	25.6
135.08035	10.2
135.11702	15.6
136.61731	2.1
137.09637	2.8
139.11171	2.6
141.06944	2.8
143.08559	8.7
145.06471	5.1
145.10162	14.3
147.08055	3.2
147.11703	14.5
149.09630	13.1
149.13235	6.8
150.63895	2.2
151.11168	4.0
157.10120	5.0
159.11716	25.6
161.09599	4.3
161.13287	6.5
163.11179	8.1
169.10098	3.7
171.11641	4.2
173.13284	6.1
177.12788	14.5
179.14194	4.2
183.11740	3.9
187.11226	10.2
197.13197	3.3
199.14813	5.4
203.12860	6.3
205.12248	3.5
209.15366	4.5
215.17989	2.6
217.15833	9.2
229.19525	2.7
233.19041	2.7
239.17917	4.3
246.16621	2.6
247.20551	4.2
248.46919	2.5
249.18477	3.2
257.19058	13.5
258.45639	2.2
275.20071	86.2
289.21399	5.7
307.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01665	1.7
55.01879	17.7
55.05263	2.8
55.05511	29.0
57.03416	5.9
67.05508	32.3
68.26812	1.6
69.03422	3.0
69.07069	17.2
69.31966	14.2
71.04987	2.3
72.77978	1.6
74.99174	1.5
79.05071	3.3
79.05496	47.9
81.03421	3.0
81.07062	39.0
83.04968	4.2
83.08613	13.6
85.06532	2.0
91.05483	33.5
93.07044	31.9
95.04977	8.4
95.08611	24.3
97.06528	18.7
97.10163	22.9
105.07032	38.0
107.04967	11.8
107.08598	88.0
109.06513	8.9
109.10166	15.4
111.08105	2.6
117.07011	8.2
119.08576	24.4
121.06522	4.2
121.10149	17.5
123.08048	6.0
123.11700	3.9
125.09631	25.1
129.07002	2.9
131.08560	15.3
133.10132	24.4
135.08055	9.2
135.11687	9.4
137.09602	5.4
139.11191	2.2
143.08551	3.6
145.10120	16.8
147.10620	2.1
147.11690	14.8
149.09616	22.0
149.13239	5.2
151.11217	2.6
151.14833	2.1
153.09077	5.6
157.10126	3.6
157.12312	1.8
159.11670	11.2
161.09621	3.1
161.13258	5.4
163.11165	9.3
165.12785	2.8
166.54370	1.7
169.10034	2.2
171.11650	4.0
173.13210	6.2
175.11264	2.4
175.14886	2.1
177.12691	4.4
181.12329	1.8
185.13313	2.6
187.11111	2.4
197.13226	3.2
203.12772	20.8
223.32541	1.7
229.19502	4.9
237.14966	2.7
239.17935	8.1
247.20610	5.5
257.18958	14.5
275.20074	100.0
289.21634	13.3
307.22668	30.0
307.28067	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.01512	1.0
53.03950	1.5
55.01874	3.9
55.05519	11.1
56.27080	1.0
57.03430	1.8
57.07060	1.2
67.05507	23.3
69.07072	18.1
69.49267	6.4
71.04985	1.7
79.05502	15.1
81.03429	2.2
81.07058	26.1
83.04990	6.2
83.08612	5.3
91.05488	16.6
93.07050	22.9
95.04971	6.6
95.08610	17.0
97.06538	4.2
97.10170	3.8
97.89404	0.9
98.20801	1.9
103.51196	1.0
105.07037	23.2
107.04962	4.3
107.08596	14.3
108.11874	0.9
109.06510	10.9
109.10163	8.0
111.08094	1.1
117.07049	6.7
119.08601	11.1
121.06511	8.6
121.10155	8.2
123.08064	4.8
123.11673	2.8
125.09676	1.3
128.96146	1.0
131.05038	1.0
131.08572	12.0
133.06490	2.1
133.10139	18.4
135.08058	3.7
135.11711	5.7
137.05997	1.3
137.09618	3.9
142.32965	1.1
143.08585	2.5
145.06496	1.0
145.10127	10.3
147.08090	3.2
147.11700	9.4
149.09602	4.4
149.13264	2.4
151.11188	6.6
157.10185	3.9
159.08081	1.1
159.11693	6.9
161.09612	2.9
161.13287	2.4
163.11163	7.9
169.10100	1.3
171.11668	1.8
173.09700	1.2
173.13249	6.0
175.11185	2.2
177.12769	1.8
183.11700	2.5
191.14316	2.6
197.13312	1.4
201.12746	2.3
207.13872	3.1
215.17937	1.2
219.13849	4.4
229.19569	1.8
231.17429	1.3
239.17986	3.8
247.20633	3.8
257.19046	13.1
275.20078	100.0
279.23010	1.2
289.21634	3.7
307.22708	59.7
308.23224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2056
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
50.87862	2.1
53.03957	2.6
55.01860	9.0
55.05513	17.6
55.37395	1.8
56.96544	2.3
57.03427	5.6
57.07088	2.3
57.35583	1.8
62.39738	2.3
65.03904	2.3
67.05509	15.5
69.03425	4.4
69.07066	12.1
71.04977	2.0
71.26465	3.3
79.05485	22.5
81.03413	3.8
81.07060	28.1
83.04964	5.2
83.08624	11.2
89.25187	2.0
91.05486	32.7
93.07040	25.7
93.45583	2.0
95.04964	26.2
95.08607	13.8
97.06542	14.1
97.10197	10.8
99.08125	1.9
102.90594	2.0
103.05475	3.8
105.07034	44.8
107.04937	2.4
107.08593	16.6
109.06532	7.7
109.10156	8.0
111.08057	2.6
115.05507	4.2
116.06181	2.2
117.07034	13.4
119.04934	1.9
119.08582	100.0
121.06537	4.8
121.10162	13.6
123.08073	4.4
125.09634	6.9
128.06215	11.1
129.06987	14.1
130.07799	4.6
131.08586	17.7
133.06458	6.1
133.10135	43.6
135.08060	9.3
137.09669	2.7
141.06931	9.8
142.07805	9.8
143.08572	35.4
144.09253	3.4
145.10135	25.6
147.08006	11.0
147.11630	7.1
149.09596	5.8
153.06998	2.8
154.07791	5.9
155.08559	9.6
156.09338	8.8
157.10133	21.8
158.05891	2.0
158.10895	7.9
159.08064	29.5
159.11700	20.2
161.09637	7.6
165.07063	3.7
167.08623	12.4
168.09348	3.2
169.10121	15.6
170.10875	5.9
171.11644	13.3
173.09613	5.0
173.13255	16.4
179.08560	5.7
180.09320	4.9
181.10126	8.2
182.10899	17.9
183.11670	12.1
185.09563	4.1
185.13278	4.2
187.11165	5.7
192.09279	3.3
193.10149	11.4
194.10919	5.3
195.11697	12.1
196.12483	5.3
197.13263	19.5
198.14011	3.3
199.14833	5.3
205.10168	4.4
206.10872	8.1
207.11702	13.3
208.12471	7.3
209.13292	12.8
211.14857	11.5
217.10094	2.5
218.10933	2.3
219.11658	7.3
220.12451	3.1
221.13277	16.5
222.14003	3.0
223.14870	10.6
224.15727	2.1
225.16338	2.7
227.14297	2.9
230.10760	2.5
231.11714	3.8
232.12407	3.4
233.13234	11.7
234.13992	6.6
235.14919	4.7
237.12669	3.6
237.16377	3.1
243.08981	3.5
244.12442	3.1
245.13292	4.2
246.14052	4.8
247.14880	6.1
248.15613	5.6
249.16373	6.5
251.14284	5.5
253.15924	5.6
259.14886	9.3
260.15659	2.5
263.17944	9.5
265.15948	2.5
265.19644	2.2
271.16971	11.7
272.07364	3.1
274.17108	9.3
275.19955	10.1
279.21252	3.1
289.18088	21.8
307.20529	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.86102	2.4
53.03938	3.2
55.01864	4.6
55.05516	19.4
57.03440	39.0
67.05508	40.6
69.07066	22.2
69.22525	29.0
71.04983	4.6
78.35954	3.0
79.05499	50.2
81.07063	48.7
83.04980	3.4
83.08633	18.8
85.06535	9.9
91.05487	53.7
93.07051	69.2
95.04967	11.8
95.08607	39.4
97.06538	14.4
97.10134	5.9
105.07035	64.4
107.04958	5.2
107.08605	50.8
109.06521	17.7
109.10155	10.8
111.08068	5.4
117.07043	17.9
119.08585	50.8
121.06523	6.7
121.10137	26.3
123.08078	10.0
125.09625	7.0
129.06990	8.6
131.08548	29.3
133.10132	33.2
135.08044	10.9
135.11667	6.7
135.95805	2.7
137.09590	6.6
143.08569	12.3
145.10124	22.8
147.11694	23.2
149.09627	15.1
149.13254	4.1
151.11180	3.9
155.08543	4.3
157.10127	12.1
159.11703	41.8
161.09579	3.5
161.13258	21.8
163.11182	8.0
165.12790	3.1
169.10130	4.9
171.11658	7.7
173.13249	18.6
174.21991	2.9
175.14864	6.9
177.12732	3.1
183.11674	3.1
185.13255	38.2
191.14328	6.3
197.13354	5.0
201.16374	6.4
203.12634	5.4
203.14299	32.8
203.39297	3.1
213.16431	3.3
215.17931	3.2
217.14114	3.3
219.17445	77.5
220.11703	2.7
229.19482	5.7
235.16933	34.8
239.17976	11.1
247.20616	4.8
257.19016	34.6
275.20068	100.0
289.21667	36.5
307.22687	21.9
307.28226	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.33073	0.9
53.03947	4.7
55.01878	7.2
55.05511	14.3
56.33892	1.1
56.96554	3.4
57.03441	20.3
65.03928	1.7
67.05505	23.0
69.03424	2.0
69.07069	8.8
70.95937	2.2
71.04994	2.9
79.05499	17.5
80.47586	1.0
81.03420	33.8
81.07053	18.1
83.04997	4.8
83.08620	4.7
85.02914	1.6
85.06551	5.8
86.44135	0.9
91.05479	19.8
93.07049	17.5
94.04216	1.0
95.04967	31.3
95.08604	16.2
97.02909	1.2
97.06541	9.0
97.10172	7.7
98.97596	2.0
99.08105	1.4
103.05453	1.2
105.04531	1.2
105.07025	13.6
107.04956	100.0
107.08587	8.4
109.06516	53.6
109.10162	5.2
111.04465	1.7
111.08057	2.1
113.06011	14.9
115.05459	1.4
117.06998	5.5
119.08582	9.0
121.06504	30.4
121.10167	4.2
123.04414	1.3
123.08057	22.0
123.11695	1.0
124.99142	4.5
125.09625	5.1
127.07568	1.4
128.06221	1.3
129.07002	7.9
131.08562	8.5
133.06451	5.9
133.10127	5.9
135.04471	2.0
135.08043	12.0
135.11563	1.0
137.06012	1.2
137.09636	5.9
141.07039	1.2
141.09116	3.4
142.07808	1.2
143.00143	6.0
143.08548	2.0
145.02838	2.2
145.06467	2.8
145.10124	5.3
147.08057	7.2
147.11679	3.4
149.05974	4.1
149.09639	2.7
151.07507	6.3
153.09099	3.3
155.08557	3.2
157.10098	6.7
159.08049	13.8
159.11707	2.5
161.01257	2.4
161.09648	4.6
163.03894	8.1
163.07541	2.6
163.11179	1.7
165.09123	35.7
165.10518	1.9
168.87376	1.1
169.10155	1.8
170.99628	1.6
171.11699	7.2
173.09637	5.4
175.11205	11.3
177.09154	2.2
177.12619	1.2
179.10771	1.4
181.10071	1.9
185.01241	3.5
187.14859	1.5
189.11273	2.2
189.12781	5.2
191.10732	5.8
193.12280	1.2
197.13252	1.2
199.11182	6.9
205.12335	1.7
213.00607	1.2
215.07050	2.8
215.14349	3.3
217.12285	11.2
231.01833	2.0
231.15883	1.4
233.15376	14.9
235.13300	54.2
236.05208	2.3
237.00751	2.5
241.08592	1.0
243.17415	3.4
245.05818	4.7
249.02884	3.2
253.15926	4.6
254.06290	6.1
254.56534	1.8
259.09637	7.8
260.09995	1.1
261.18521	5.0
267.03922	3.7
271.16943	11.1
285.04886	2.7
289.17978	47.7
289.67291	1.1
307.18610	25.7
307.26404	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.28788	1.7
50.50420	1.5
53.03967	2.2
55.01874	8.1
55.05265	2.2
55.05513	34.9
56.55685	1.5
56.82932	1.5
56.96568	1.7
57.03443	19.0
57.07063	1.6
65.99800	1.6
67.05506	28.9
69.03419	4.4
69.07076	10.8
69.73878	10.2
71.04974	1.8
73.28905	1.7
76.95614	1.7
79.05073	1.8
79.05499	31.5
79.63495	1.6
81.03411	5.0
81.07068	30.3
83.04967	6.5
83.08617	11.5
85.06532	2.4
91.05491	26.2
93.07047	25.3
93.12935	1.5
95.04980	13.0
95.08610	12.9
97.06522	5.4
97.10181	18.7
98.20844	3.2
101.39928	1.8
103.05474	1.7
105.06393	1.9
105.07039	21.7
107.04968	16.0
107.08593	17.5
107.21732	1.6
108.62103	1.8
109.06525	18.4
109.10171	9.7
109.43806	1.7
111.08097	2.2
115.05499	2.7
117.07036	13.2
119.08589	21.2
121.02818	1.7
121.06522	16.0
121.10142	6.2
121.75165	1.7
123.04444	2.4
123.08073	4.9
124.61005	1.6
125.05941	1.7
125.09639	11.6
129.07013	4.5
131.04930	2.7
131.08560	10.1
133.06508	3.6
133.10139	8.9
133.13452	1.5
135.08041	17.3
135.11676	2.9
137.09634	4.7
143.08559	5.2
144.05762	2.1
145.06508	6.4
145.10132	9.2
147.08049	10.9
147.11673	6.9
149.05974	18.2
149.09608	5.9
151.07605	2.7
153.09105	5.3
155.08543	4.7
157.10141	4.7
159.08057	30.3
159.11700	2.2
161.09639	6.4
161.13211	2.7
163.07530	4.2
163.11171	4.6
165.09166	3.7
169.10121	4.8
171.11681	4.6
173.09618	6.4
173.13272	3.2
175.11226	2.7
177.09135	5.8
181.10175	2.8
183.11679	2.3
185.09592	4.9
187.11177	2.2
187.14853	2.8
189.11256	4.6
191.10718	2.0
195.11601	1.8
197.13252	4.2
199.14929	2.6
205.12308	2.2
211.14825	2.9
215.14342	7.0
215.17931	1.7
217.12184	1.8
225.16412	3.0
233.15349	13.1
238.85194	1.9
239.17957	2.3
243.17416	6.9
253.15843	9.3
257.18869	3.3
261.18521	3.6
271.16946	28.0
275.19968	14.1
289.17984	100.0
307.18811	17.3
307.22974	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03939	6.6
53.38935	1.5
54.28328	1.4
55.01879	10.0
55.05263	2.4
55.05515	32.5
56.96554	9.0
57.03439	17.2
59.05002	1.6
67.05505	23.6
69.03419	5.5
69.07067	18.5
70.07626	3.3
70.08023	4.0
71.04982	2.8
71.08601	1.6
79.05496	31.0
81.03411	14.3
81.07052	22.7
83.04985	6.6
83.08623	18.1
85.06535	3.4
91.05489	21.8
93.07050	17.4
95.04960	11.6
95.08608	13.0
97.06536	81.7
97.10169	19.5
98.97578	3.0
98.98532	1.8
103.05456	3.2
105.07037	14.8
107.04953	6.9
107.08605	14.0
109.06519	28.5
109.10172	9.3
111.04474	1.6
111.08075	4.0
115.05444	1.7
117.07014	7.1
119.04956	1.5
119.08579	10.6
121.06507	100.0
121.10152	5.3
123.04428	2.8
123.08060	4.6
123.11712	2.2
124.99133	2.4
125.05965	1.9
125.09634	12.7
129.06978	4.0
131.08525	10.5
133.06511	4.0
133.10138	6.0
135.08072	15.0
135.11713	3.4
137.09598	6.7
143.00163	3.7
143.08559	3.1
144.05685	2.3
145.10123	5.1
147.04381	2.2
147.08031	8.5
147.11696	6.0
149.09648	4.1
151.07538	5.8
155.08612	2.1
157.10165	3.9
157.79141	1.7
159.08058	44.8
159.11676	3.2
161.09634	5.7
161.13216	2.1
163.03934	5.6
163.07533	3.9
163.11168	3.6
165.09113	1.8
165.12862	2.3
170.99800	1.8
171.11696	2.4
173.09694	3.4
175.11200	3.9
185.09653	7.5
185.13197	1.7
187.11285	2.0
187.14749	1.7
189.11185	4.1
191.10796	2.7
193.12257	5.7
197.09679	3.0
197.13297	2.7
198.18588	1.8
199.11131	2.4
205.12125	2.0
211.11313	2.2
211.13246	4.0
213.00865	1.8
215.06862	3.5
215.14287	3.3
225.16409	2.6
231.01765	3.1
233.15396	4.6
235.13155	1.9
236.05232	1.9
243.17451	4.2
245.05685	3.9
249.02835	4.2
253.15800	12.1
254.06209	2.5
259.09549	8.2
260.10028	2.6
261.18494	5.7
263.16342	2.0
267.03854	3.6
270.13348	1.9
271.16937	13.8
272.04492	2.0
275.20004	4.2
289.17987	53.6
307.15292	5.5
307.19022	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03949	5.2
55.01879	25.5
55.05514	40.4
57.03440	49.6
57.07065	3.1
65.03928	3.9
67.05505	61.7
69.03434	3.7
69.07077	26.4
70.07590	2.3
70.80719	3.2
70.81072	5.6
71.04990	4.9
79.05498	68.5
81.03392	4.8
81.07059	60.8
83.04981	47.9
83.08627	20.0
83.37935	2.4
85.06535	5.9
91.04965	3.8
91.05492	52.9
93.07046	55.3
95.04974	18.0
95.08610	35.6
97.06535	36.1
97.10182	17.0
99.04419	3.6
105.07030	59.9
107.04961	54.8
107.08598	75.3
109.06532	24.4
109.10175	15.3
111.04453	25.3
111.08076	6.6
113.06033	3.4
117.07020	21.5
119.08577	40.8
121.06509	11.3
121.10155	21.8
123.08082	13.0
123.11681	2.9
125.05995	4.1
125.09654	18.6
129.07004	8.9
131.08582	26.3
133.06490	7.8
133.10115	27.9
135.08081	20.5
135.11684	10.8
137.05986	10.2
137.09621	11.3
138.06306	6.5
139.11259	2.6
141.06978	3.1
143.08542	7.1
145.06497	7.5
145.10120	32.7
147.08064	8.2
147.11684	22.4
149.05977	7.5
149.09636	25.4
149.13266	6.9
151.07524	4.1
151.11192	6.4
153.09093	4.9
155.08539	4.6
157.10124	9.7
157.12292	3.5
159.08026	9.5
159.11702	18.0
161.09604	9.5
161.13269	7.8
163.07535	4.0
163.11205	16.9
165.09219	3.0
165.12689	4.5
169.10123	7.7
171.11681	10.6
173.09583	3.4
173.13295	13.7
175.07515	2.7
175.11166	4.7
177.09074	4.8
177.12772	17.7
179.14328	3.3
183.11670	3.6
187.11192	5.5
187.14780	5.2
189.12776	3.9
197.13268	8.6
199.14679	2.9
203.12750	11.6
205.15910	7.2
215.14291	10.2
215.17989	2.9
229.19533	5.8
233.15388	24.6
233.19044	2.9
239.17885	7.0
243.17366	8.0
247.20563	5.5
257.18896	15.0
261.18521	17.3
271.16867	12.3
275.20065	100.0
289.17987	50.9
289.21533	12.7
290.22046	2.4
307.18802	34.6
307.22626	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.02365	2.1
53.03940	6.9
55.01871	11.6
55.05265	2.5
55.05517	40.5
56.96559	3.8
57.03183	2.3
57.03442	30.0
59.05002	4.0
65.03936	4.7
67.05510	69.4
69.03418	7.3
69.06783	1.8
69.07076	21.5
70.24595	2.6
70.24961	6.3
71.05009	8.2
71.41637	1.5
73.06552	1.7
79.05499	83.7
81.03418	11.0
81.07063	77.6
83.04984	11.6
83.08621	18.9
85.02926	4.4
85.06532	3.9
88.07635	2.7
91.05488	100.0
93.07047	74.7
95.04979	28.1
95.08047	3.1
95.08614	37.6
97.06540	9.1
97.10178	21.1
98.97577	4.0
98.98501	3.5
99.04460	2.1
99.08121	1.9
103.05491	11.6
105.04523	4.7
105.07038	67.4
107.04963	38.7
107.08598	32.7
108.08883	1.5
109.06528	18.9
109.10177	18.2
109.12465	1.5
111.08082	5.7
115.05467	4.2
117.07030	37.4
119.08586	47.2
120.95155	1.4
121.02894	4.0
121.06520	35.1
121.10168	17.1
122.05496	1.4
123.04440	3.4
123.08054	8.8
123.11707	6.8
125.09612	12.6
128.06233	2.8
129.07010	12.4
130.07802	2.1
131.07587	3.0
131.08575	46.1
133.06502	11.7
133.10150	18.3
135.08066	15.5
135.11702	5.9
137.05988	3.2
137.09602	8.5
137.13322	2.1
141.06987	4.2
143.08559	8.1
145.06520	4.9
145.10117	21.6
147.08052	6.8
147.11714	8.2
149.05992	1.8
149.09627	9.0
149.13222	3.0
151.07538	2.6
151.11224	3.2
151.98744	1.6
153.09114	5.9
155.08598	6.9
157.10123	4.1
159.08081	10.3
159.11681	8.1
161.09645	6.4
161.13187	3.0
162.89638	1.7
163.07567	9.4
165.09128	2.1
167.08517	2.0
169.10150	6.9
171.11736	11.5
173.09669	5.4
173.13280	11.3
175.11327	3.3
177.09206	2.1
185.13280	1.7
187.11301	2.2
187.14806	10.8
189.11243	9.9
189.12766	3.0
197.13339	7.4
201.16426	1.7
205.15919	4.8
215.14359	10.0
215.21950	3.2
225.12910	2.1
229.07474	2.5
233.15388	35.4
243.17729	2.1
253.15846	3.4
257.10544	2.1
261.18546	5.8
269.10403	2.5
271.16891	16.6
275.20108	6.9
285.10269	4.2
289.18008	78.3
297.17279	1.8
303.11176	5.1
307.19086	63.4
307.26910	13.5
329.11105	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89004	2.9
62.07916	2.7
67.03288	2.5
70.36626	11.7
123.03160	2.9
129.01846	2.6
143.01941	4.0
247.02884	4.2
295.23755	3.0
307.07919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05511	0.6
56.05044	2.5
56.96566	1.1
57.03449	0.6
58.06609	3.7
62.95135	0.4
64.78941	0.4
67.05501	1.7
68.05031	0.4
69.03435	1.0
69.07072	0.5
69.61523	0.4
69.64251	2.5
70.06597	1.6
71.05012	0.7
79.05513	1.1
81.03465	0.6
81.07053	1.1
84.04512	27.7
84.08149	100.0
85.02905	1.0
86.06071	7.8
86.09714	6.7
88.04008	3.6
91.05474	1.5
93.07050	1.0
95.04994	0.5
95.08619	1.1
96.08124	0.6
97.02891	1.2
97.06545	1.0
98.09711	0.6
98.97581	1.3
98.98473	0.5
99.09256	0.5
102.09233	0.5
105.07034	1.7
107.04962	0.7
107.08604	0.9
109.06515	0.4
114.12830	0.7
116.98692	0.8
117.07018	0.8
119.04933	1.0
119.08592	1.0
121.06490	0.5
121.10091	0.5
125.09656	0.4
128.98599	0.5
130.08640	1.5
132.95856	0.8
133.06525	1.1
135.07968	0.5
141.13882	6.7
144.10228	1.0
147.04424	3.2
155.01135	0.5
158.97459	0.6
159.08287	0.5
161.05991	0.9
169.13380	10.6
170.11691	0.5
185.05989	0.6
189.05492	1.1
198.11313	1.2
201.05426	1.0
215.13930	45.6
219.17456	0.8
243.17065	54.7
262.11108	3.2
262.13470	0.6
275.20074	1.5
289.15491	0.6
307.04813	0.6
307.16882	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	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.4
57.03448	1.3
61.02924	1.7
69.03431	2.1
70.77838	2.8
72.08125	1.2
81.03404	2.1
82.99847	4.1
85.02897	3.9
85.24567	1.1
94.99816	1.2
97.01411	1.9
97.02897	2.6
98.97581	1.1
100.77206	1.0
101.00893	49.7
103.02419	2.0
109.02854	1.3
112.70193	1.0
113.00888	5.7
114.51000	1.1
115.02439	13.6
117.03980	2.7
119.01933	100.0
119.08619	1.1
126.98820	1.1
127.02440	1.8
127.03925	5.8
129.04002	6.2
131.01921	14.5
133.01933	1.2
133.03488	25.7
135.04996	1.7
137.02971	16.8
142.03481	2.1
143.01933	11.7
144.99821	4.2
145.01659	1.3
145.03503	6.1
147.01407	1.4
147.05078	6.0
148.11292	1.1
149.01216	1.3
149.02943	3.4
151.04529	3.0
155.01888	3.8
156.05103	1.5
157.03439	3.5
159.01395	5.6
161.02968	24.3
168.99840	14.1
171.01436	2.1
172.99315	1.3
173.02969	10.8
175.04594	3.7
177.02484	10.8
178.01103	1.2
185.02945	3.6
187.00902	36.0
187.02567	1.4
189.02448	3.6
191.03987	7.6
196.99345	9.2
199.00880	1.8
201.02469	2.7
201.06104	2.7
202.89052	2.7
203.04036	5.7
205.01942	10.2
208.99678	1.0
215.00394	44.2
217.02037	3.6
219.03519	13.6
221.05121	3.6
229.01944	25.3
229.04036	1.6
231.03578	1.4
233.01457	3.4
239.06119	4.4
245.05099	2.9
247.03009	74.6
263.06161	1.9
264.24136	1.0
265.04025	12.9
270.04712	2.9
275.19986	1.9
283.05341	1.3
289.04123	14.1
307.04935	13.0
307.08109	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	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24392	0.8
52.23737	0.8
54.11793	0.8
55.05518	1.2
56.96572	2.8
61.02913	1.5
61.29041	0.8
69.03428	1.7
69.93835	3.9
72.48813	0.8
77.00911	1.1
78.43501	0.8
80.25461	1.0
82.99882	3.9
85.02917	3.1
97.01369	2.1
97.02899	1.3
98.97609	1.2
101.00889	45.6
103.00637	0.9
110.97585	1.5
113.00867	6.2
115.02445	15.4
117.04002	2.0
119.01928	100.0
124.02496	1.0
126.98762	1.1
127.02418	1.3
127.03928	3.7
128.98483	0.8
129.03996	5.9
130.59315	0.8
131.01907	14.4
133.03479	24.1
135.05063	2.2
137.02968	16.1
142.03465	1.1
143.01907	12.2
144.99860	3.0
145.01675	1.6
145.03474	6.5
147.01389	1.8
147.03223	1.2
147.05020	4.7
149.02966	3.8
151.04520	3.7
155.01897	3.0
157.01707	1.1
157.03497	3.8
158.35301	0.9
159.01378	4.9
160.48253	1.0
161.02960	22.0
163.02687	1.1
163.04539	1.9
168.99825	12.9
171.01401	2.2
172.99429	0.9
173.02980	10.1
175.02858	0.9
175.04562	3.2
177.02454	11.4
185.02972	2.9
187.00885	34.6
187.02570	1.8
189.02437	3.2
190.98634	1.1
191.04018	5.7
196.99321	7.6
199.00951	2.7
201.02487	2.6
201.06143	3.0
202.89189	1.4
203.03967	4.2
205.01945	11.6
208.99681	2.1
215.00391	39.3
217.02022	3.7
219.03510	12.7
221.05061	2.5
229.01944	22.6
233.01433	4.4
237.04495	1.0
239.06122	3.4
245.05081	2.6
247.02997	78.0
253.07637	1.8
265.04077	13.0
270.04599	2.2
275.20065	1.2
283.05096	1.6
289.04050	15.5
307.05084	12.9
307.08307	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01868	0.8
55.05511	6.2
55.05784	0.3
56.05028	0.1
57.07080	0.6
60.04508	0.1
65.03928	0.5
67.05505	8.7
69.03441	0.2
69.07069	6.9
69.98488	0.4
70.02943	0.1
70.06595	0.2
70.66172	0.1
71.08636	0.2
72.04501	0.2
79.05054	0.2
79.05489	2.5
81.07056	7.2
82.06552	0.4
83.04971	0.3
83.08618	2.3
84.08147	0.2
85.04798	0.2
85.05285	1.9
85.10215	0.1
86.06081	0.8
91.05474	1.1
93.07050	1.7
94.06568	0.2
95.04961	0.2
95.08610	4.6
96.08106	0.4
97.06520	0.5
97.09155	0.1
97.10177	0.7
98.06054	12.7
99.06831	0.2
105.07027	1.0
107.04987	0.1
107.08592	1.9
109.06538	0.2
109.10149	1.6
110.09666	0.5
111.08110	0.1
112.07584	1.5
117.07027	0.3
119.08559	0.7
121.10124	0.6
122.09670	0.2
123.11711	0.4
124.07590	0.3
124.11235	0.2
125.08344	0.3
125.09618	0.2
126.09157	0.5
131.08655	0.3
133.10115	0.6
134.09714	0.2
135.08051	0.2
135.11667	0.3
137.05969	1.1
138.09120	0.4
140.10701	0.6
145.10156	0.3
147.11668	0.4
148.11188	0.2
149.09610	0.2
149.13237	0.2
152.10670	0.3
154.11140	0.2
154.12222	0.6
159.11716	0.2
161.13231	0.2
166.12285	0.2
168.13844	0.5
180.13921	0.2
182.15396	0.4
194.15346	0.3
196.17007	0.7
203.12759	0.2
208.16965	0.8
210.18552	0.3
219.45886	0.1
222.18547	0.5
224.20076	0.3
236.20119	0.4
250.21608	0.3
254.14235	0.1
257.19104	0.2
270.75037	0.1
275.20041	1.3
289.21463	0.2
306.27896	100.0
307.22757	0.3
307.28223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	9-Demethylprotoemetinol
Peak:m/z	Relative Intensity
50.74574	0.1
55.05497	0.5
56.96556	0.2
57.07069	0.2
67.05492	0.4
67.27077	0.1
69.07064	0.3
70.06598	0.7
70.73897	0.2
70.74223	0.2
71.08606	0.2
76.64098	0.1
77.84173	0.2
79.05488	0.2
81.07038	0.4
84.08141	0.1
88.07603	0.2
91.05488	1.1
92.05006	3.1
93.05761	0.4
93.07040	0.2
94.06548	0.5
95.08587	0.2
97.06512	0.5
97.10099	0.2
100.82115	0.1
106.06563	1.2
107.07281	0.2
107.08571	0.1
109.10161	0.3
117.05767	1.1
118.06548	12.4
119.07329	1.4
119.08547	0.1
120.08113	0.9
124.99152	0.2
130.06531	1.0
131.07283	0.2
132.08096	1.8
132.10201	0.3
133.08894	0.4
134.09698	0.6
143.00148	0.2
144.08073	0.5
145.08908	0.2
146.09698	0.7
146.11714	0.4
147.04427	0.2
148.11212	0.2
156.17485	0.2
160.11261	0.3
162.09154	12.6
163.09950	2.8
164.10704	0.6
173.22726	0.1
176.10757	0.5
200.20105	0.7
202.15918	2.4
215.07130	0.2
230.15413	17.9
244.22781	1.4
249.02739	0.2
259.09714	0.6
262.18030	1.8
267.03903	0.2
267.93304	0.1
274.17996	0.2
288.19620	0.3
291.81693	0.2
306.20645	100.0
306.26376	4.8
307.21008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
55.05519	0.1
58.02958	0.2
58.89758	0.1
66.04709	0.1
67.05499	0.4
69.07070	1.4
70.23576	0.1
70.81127	0.3
76.65374	0.1
79.05500	0.6
81.07042	0.8
83.08569	0.1
84.08149	0.2
87.33923	0.1
91.05473	0.6
93.07032	0.5
94.00019	0.1
94.04186	1.7
95.08619	0.2
97.06538	0.4
100.07648	0.2
105.07033	0.3
107.04966	0.2
107.08619	0.5
109.06509	0.3
109.10175	0.6
109.79712	0.1
114.09180	0.5
119.08530	0.1
122.03653	5.3
122.96807	0.1
123.11700	0.2
126.09148	0.3
133.10120	0.7
135.11711	1.1
137.05978	100.0
138.06329	0.3
138.12836	0.1
147.11716	0.2
151.11197	0.5
153.12766	1.1
170.15422	2.0
182.15410	2.8
191.92326	0.1
231.10951	0.1
306.20651	1.4
309.85526	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	306.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68996	0.7
55.01868	1.4
55.05499	1.0
55.93515	2.6
56.05032	0.9
56.96338	0.6
56.96568	8.1
57.03425	1.9
58.06540	0.7
60.04528	22.7
61.02919	1.6
69.03421	3.0
70.02953	1.5
70.06590	8.2
70.98114	1.5
71.05000	0.8
71.56151	0.9
71.92986	1.3
72.04520	0.8
72.08146	3.3
72.93777	2.2
73.02908	1.6
74.06072	2.1
79.05478	1.0
81.03411	1.8
84.04516	1.1
84.08140	2.0
84.96008	1.1
85.02911	7.9
86.06074	1.1
86.09709	69.1
87.04470	0.8
87.05594	14.1
88.04007	1.4
88.99163	1.6
89.94051	1.3
90.05579	0.8
90.94807	2.1
91.05472	2.2
94.06557	1.4
95.04924	0.7
95.06065	0.9
97.02883	2.7
97.06567	0.8
98.06036	0.9
98.97591	9.0
100.99099	0.9
101.00871	1.4
102.00945	1.0
106.05019	2.1
108.95922	0.7
109.06527	0.8
110.07157	1.5
110.97573	1.8
112.08742	0.7
112.99149	0.8
113.03496	0.6
116.07105	1.0
116.98629	3.3
117.98979	1.0
119.01928	3.1
119.04970	3.7
120.01985	0.7
122.07161	1.8
124.99106	1.2
127.00688	0.8
127.03901	1.7
128.10724	9.3
128.98622	2.3
129.10217	1.2
130.05000	0.9
131.00195	0.8
131.01888	1.1
131.95097	0.8
132.01961	0.9
132.95802	0.9
133.01591	0.9
134.99638	1.2
136.06186	1.6
136.07521	0.7
137.06007	3.4
143.00153	1.9
143.01900	1.3
143.11835	0.8
144.01933	0.8
144.04797	1.6
145.04990	0.8
145.96571	0.7
146.99609	3.7
147.04407	14.0
148.04771	0.8
149.01187	1.8
149.96144	1.6
150.96933	0.9
156.00752	0.9
156.01976	0.7
156.04054	1.1
158.99655	1.3
159.11333	0.7
161.01234	1.4
161.02962	2.0
161.96097	1.6
162.03081	1.3
164.08209	1.8
164.10574	0.9
165.00671	2.1
165.05414	0.9
166.87549	0.7
168.10336	0.7
170.99664	0.7
173.03023	0.8
173.12863	100.0
174.03929	0.8
174.99207	0.7
177.00732	2.0
185.03043	1.0
187.52945	1.6
189.00679	0.8
189.08745	1.1
190.98595	1.1
191.02249	1.4
191.03842	1.0
191.97169	1.1
193.00175	0.8
199.97704	2.0
200.02599	1.1
201.12346	34.4
203.04097	1.2
203.06583	1.5
205.00171	1.5
207.01598	0.8
209.03217	1.5
219.01729	0.9
219.13403	1.8
223.01256	0.9
232.04997	1.2
237.02701	0.9
245.05141	0.9
246.05240	1.3
249.02800	0.8
249.99770	0.7
259.99741	0.8
261.03046	1.2
288.15527	5.0
306.11600	1.3
306.15717	1.4
306.19196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01872	4.0
55.05516	10.8
57.03426	1.4
57.07073	3.5
65.03928	3.5
67.05508	50.5
69.03423	2.9
69.07072	6.7
69.45100	6.8
69.94590	1.0
71.91568	0.8
79.05489	14.0
81.03389	2.1
81.07056	21.1
83.04974	1.6
83.08619	2.5
84.23411	1.0
85.06527	2.2
91.05481	14.4
93.07053	16.7
95.04974	100.0
95.08602	9.0
96.37865	0.9
97.06525	6.8
97.10177	1.8
105.07036	13.7
107.04950	8.1
107.08585	8.1
109.06534	9.8
109.10162	1.9
111.08089	2.3
113.05917	1.0
115.05442	1.3
117.07009	4.6
119.08562	4.4
121.06530	6.8
121.10159	2.6
123.08084	3.0
125.09609	1.3
128.06294	1.0
129.06993	1.9
131.08575	11.2
133.06436	4.6
133.10159	4.4
135.08052	2.1
135.11713	4.8
137.06015	3.0
143.08562	7.6
145.10136	8.2
147.08080	4.8
147.11700	2.6
149.09627	2.5
149.13240	3.1
157.10141	1.8
159.11708	4.2
161.09619	2.4
163.11209	3.4
165.12985	1.2
169.10197	1.7
171.07948	1.1
171.11781	2.2
173.13257	1.1
177.12781	3.2
187.11192	2.9
195.11703	2.2
201.10553	2.8
205.12221	1.8
208.23666	0.9
227.17845	1.4
229.15889	1.2
237.16461	1.8
245.19016	2.3
273.18518	32.6
279.99939	1.0
305.21152	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	1.2
51.29901	1.1
52.16655	1.3
52.75122	1.2
53.03951	14.7
55.01877	11.7
55.05261	1.7
55.05512	23.6
57.01177	1.0
57.03436	3.7
57.07081	2.6
59.05002	1.5
65.03934	2.5
67.05509	52.4
69.03422	6.9
69.07069	13.3
69.44328	7.8
71.04981	2.3
73.06554	2.9
77.03911	1.5
79.05498	67.1
81.03423	32.4
81.07061	84.8
81.65928	1.1
83.04981	24.6
83.08624	7.6
85.06550	7.2
91.05484	52.6
93.07046	55.9
93.07633	2.7
95.04975	24.9
95.08614	29.5
97.06535	4.3
97.10175	3.0
99.08116	1.3
101.06028	1.4
103.05488	4.0
105.07037	47.0
107.04963	50.7
107.08601	51.2
109.02884	1.9
109.06524	10.0
109.10153	12.5
111.04433	2.0
111.08107	2.8
115.05489	4.4
115.07538	2.6
116.06210	4.0
117.06218	2.3
117.07022	39.1
119.04910	1.4
119.08581	24.2
121.06521	19.8
121.09324	2.4
121.10149	34.6
123.04472	1.4
123.08061	8.9
123.11693	2.4
125.09618	2.4
129.07001	10.2
131.04935	11.9
131.08574	63.4
133.06502	67.7
133.10136	23.8
135.08063	34.2
135.11687	4.0
137.09587	4.9
141.06995	3.8
141.09123	1.5
142.07784	1.9
143.08551	8.4
145.06471	1.8
145.10141	17.5
147.08038	12.4
147.11667	5.3
149.09627	77.7
149.13254	2.7
151.11169	11.0
155.08621	3.1
157.10133	8.3
159.06831	2.1
159.08075	30.0
159.11711	6.8
161.09621	11.8
161.13264	3.1
163.11172	7.8
169.10143	2.2
171.11655	7.2
173.09654	2.9
173.13179	2.5
175.11186	9.5
177.09120	73.6
177.12730	3.9
181.10103	1.9
181.12241	2.0
183.11684	2.2
183.13783	2.7
185.09656	1.5
185.13281	3.8
187.11258	2.7
189.12767	4.8
191.10690	3.6
193.12102	1.3
195.11684	1.4
199.11151	3.7
203.12701	1.5
203.14429	1.7
209.11670	2.1
213.12709	2.8
213.16444	2.5
217.16064	1.5
227.17978	4.2
237.16592	3.1
245.18958	5.9
255.17451	9.0
273.18503	51.6
287.20090	2.0
289.33578	1.5
305.21115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
53.12683	2.9
55.01859	9.2
55.05515	59.7
57.03417	6.3
59.04995	5.0
65.03936	5.0
67.05514	49.9
69.03418	6.3
69.07072	26.5
69.83212	12.9
71.04998	4.5
73.06562	4.7
79.05495	66.1
81.07061	75.2
83.04972	7.3
83.08624	24.1
85.06548	9.8
88.37853	3.2
91.05486	91.4
93.07050	76.4
95.04967	11.1
95.08617	55.5
97.06510	9.2
97.10149	14.6
100.91526	4.0
105.07042	79.9
107.04916	10.4
107.08584	35.2
109.06535	18.7
109.10139	7.2
111.08079	4.3
111.11648	3.4
115.05486	3.6
117.07024	42.7
119.08590	43.5
121.06541	15.9
121.10163	27.3
123.08060	13.7
125.09610	9.6
128.06244	15.4
129.07014	21.6
130.07774	12.9
131.08577	100.0
133.06490	7.4
133.10132	26.1
135.08049	10.7
135.11690	15.7
137.09587	7.2
139.11150	14.9
141.07001	6.0
141.09111	3.4
143.07504	4.9
143.08566	72.9
145.10139	93.3
147.08054	15.4
147.11656	12.4
149.09622	10.3
149.13226	4.3
155.08562	8.5
157.10138	23.5
159.08107	4.2
159.10397	4.0
159.11655	22.6
161.09607	14.0
163.11168	7.4
169.10133	15.0
171.11693	20.2
173.13271	5.2
175.11235	7.8
175.20757	3.5
177.12711	3.6
181.10086	9.7
183.11705	15.6
185.13290	6.2
189.12776	4.2
195.11694	17.5
196.93568	3.8
197.13412	4.3
199.11227	4.2
201.12726	8.2
207.24324	3.2
211.14813	6.1
213.12697	6.4
227.17946	11.1
237.16431	22.9
245.18996	9.1
255.17494	15.8
273.18512	51.9
274.43753	3.5
277.21738	4.1
287.20038	7.6
305.21057	23.9
305.31348	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	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
52.33615	1.2
52.86499	1.2
53.03934	4.0
55.01663	1.2
55.01876	13.0
55.05513	19.8
56.96555	5.6
57.03438	7.2
57.07058	2.0
59.04988	1.4
63.54372	1.2
65.03929	4.1
67.05510	50.8
69.03420	5.5
69.07069	15.1
70.04826	4.6
71.04984	5.7
73.06560	1.8
79.05499	51.2
79.05962	2.6
81.03415	7.3
81.07062	68.9
83.04977	8.2
83.08643	8.8
83.50665	1.2
85.06531	4.7
88.07636	1.4
88.30875	1.2
91.05485	40.2
93.03368	1.5
93.06491	1.9
93.07059	42.4
95.04974	47.2
95.08617	24.1
97.06543	14.9
97.10161	4.3
98.97575	1.8
103.05408	2.2
105.03438	1.4
105.04473	1.5
105.07034	28.9
107.01952	1.1
107.04961	26.4
107.08603	27.4
109.06520	23.0
109.10165	6.2
111.04479	1.5
111.08076	5.9
115.05421	2.8
116.06242	1.8
117.07028	24.1
119.04958	1.3
119.08590	32.6
121.06519	17.8
121.10153	16.2
123.08084	10.1
123.11693	2.1
125.05988	1.8
125.09641	7.5
128.06224	3.2
129.07021	11.6
130.07774	2.2
131.08574	28.2
133.06520	8.5
133.10141	15.5
135.07100	2.1
135.08066	26.4
135.11717	10.8
137.05914	2.6
137.09627	4.9
139.07545	2.3
139.11119	1.3
141.06973	2.2
142.07790	2.0
143.08582	12.0
145.06461	3.3
145.09029	2.4
145.10135	32.8
147.08043	18.3
147.11659	7.1
149.01216	1.6
149.09633	20.6
149.13220	4.2
151.07527	2.9
151.11134	2.4
153.09146	2.3
155.08524	2.9
157.10143	13.5
159.08086	3.5
159.11694	13.7
161.09601	13.9
161.13203	2.5
163.11201	14.9
163.24115	1.5
169.10144	2.5
171.11658	12.6
173.09612	4.9
173.13258	5.0
175.11182	8.7
177.12753	4.4
181.10118	1.9
183.11705	2.9
183.69995	1.4
185.09633	3.4
185.13257	5.0
187.11191	4.7
189.12752	5.4
191.10728	2.0
195.11710	4.5
199.11208	1.5
201.12714	4.1
203.12682	3.0
203.14317	2.9
205.12242	2.2
209.13490	1.9
209.15382	1.9
211.14876	1.7
212.18359	1.6
213.12651	1.9
213.16393	2.6
217.15880	7.2
224.08070	2.5
227.17918	4.0
231.17538	1.5
233.15367	2.1
237.16446	5.9
241.11211	2.7
245.19102	6.1
247.17413	1.5
255.17455	13.8
257.26624	2.2
259.12146	2.0
263.16473	2.1
273.18515	57.8
282.10846	3.2
285.13626	2.8
287.16528	3.4
287.20026	8.9
300.12109	2.2
305.17783	3.8
305.21112	100.0
305.28650	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51872	0.3
53.03944	0.9
55.05518	0.6
55.53177	0.3
56.96558	0.7
62.06092	0.9
67.05496	1.6
69.07066	0.8
69.31827	1.6
69.32242	1.2
69.42226	0.3
71.05004	0.6
72.04501	0.4
79.05502	1.3
80.05009	0.5
81.03454	0.4
81.07056	2.9
84.08156	0.6
91.05475	4.0
93.05798	0.4
93.07061	2.9
94.06584	1.0
95.04964	1.5
95.08629	1.0
96.08156	0.5
97.06515	0.9
97.08942	0.4
98.97588	3.1
105.07031	0.9
107.08609	0.6
108.08147	1.2
109.10144	0.5
111.08111	0.5
112.99154	1.0
116.98631	1.0
121.06482	0.4
121.10107	0.4
122.06024	3.6
124.07595	9.8
126.05527	0.6
131.00166	0.4
133.10118	0.7
134.99696	0.5
136.07579	100.0
137.07890	0.5
138.09145	0.8
140.07053	0.9
147.04485	0.4
149.09703	0.4
152.07066	18.2
158.99669	1.1
164.07069	79.8
166.08682	0.8
170.08136	5.5
173.01172	0.8
173.13388	0.3
176.14375	0.6
177.00711	0.5
182.08131	18.3
184.09682	0.4
191.02350	0.8
194.12488	0.4
197.28586	0.4
202.98743	0.4
211.15291	1.0
226.15173	0.5
237.16846	0.4
242.17604	0.7
243.17880	2.8
244.99623	0.4
287.13919	5.7
287.20499	4.6
287.23792	0.6
305.14908	1.6
305.21640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01874	7.8
55.05519	43.3
55.81011	2.6
57.03437	24.8
67.05510	45.6
69.03419	6.7
69.07068	18.5
70.81481	7.7
71.04993	3.4
74.70074	3.2
79.05499	50.2
81.03440	4.5
81.07066	54.8
83.04982	9.1
83.08616	19.9
85.06538	8.2
91.05481	59.0
93.07045	42.9
95.04970	13.1
95.08622	28.0
97.06538	8.2
97.10158	20.3
105.07037	40.8
107.04952	12.3
107.08598	30.7
107.80841	2.8
109.06528	9.7
109.10152	10.2
111.08079	5.9
115.05479	4.4
117.07030	33.7
119.08589	50.8
121.06509	11.6
121.10155	16.2
123.08109	8.7
125.09630	22.2
128.06238	5.2
129.07008	19.4
130.07834	4.3
131.08575	42.6
133.06497	6.1
133.10124	11.4
135.08067	22.4
135.11687	4.8
143.08583	19.3
145.10152	36.1
147.08040	33.8
147.11664	10.9
149.09654	6.5
153.09120	5.5
155.08617	4.5
157.10139	13.3
159.11729	19.6
161.09651	8.5
163.11211	6.7
167.08528	3.4
169.10123	4.2
169.76193	3.0
171.11699	8.4
173.09709	3.9
175.11269	8.9
176.14807	3.1
177.12643	3.8
185.13245	5.5
189.12827	4.2
196.81316	3.0
203.10941	4.3
203.12825	21.1
203.14410	4.0
217.15900	14.6
227.18024	8.3
237.16603	5.4
245.19086	6.7
247.16917	3.4
255.17496	14.8
273.18512	100.0
287.19986	6.6
305.21164	60.3
305.26691	40.5
305.31418	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.96566	3.5
61.02926	0.4
65.03150	0.3
67.05485	0.5
69.03427	0.8
69.29217	3.1
69.29533	0.3
70.06584	1.2
70.98105	0.4
72.08152	0.7
73.02927	0.5
74.06080	0.4
79.05457	0.6
81.03429	0.4
81.07047	0.5
84.04520	0.5
84.08140	0.7
84.96037	0.5
85.02921	1.7
86.09711	1.8
86.71871	0.3
87.04456	0.5
87.10046	1.1
93.07067	0.4
97.02897	0.7
97.06525	0.3
98.97584	4.3
101.07138	0.4
110.97590	1.2
114.05527	0.4
116.98633	1.4
119.01893	0.7
119.04980	0.5
119.08572	0.4
120.08121	0.6
121.10138	0.4
122.06016	0.3
123.04559	0.4
124.07584	4.1
125.07935	3.5
127.03938	0.5
128.98604	1.4
130.06516	0.5
131.00215	0.6
131.01926	0.5
134.99635	0.4
137.05937	0.4
142.08640	1.1
143.00182	0.4
143.01923	0.6
143.06874	1.9
143.09013	0.5
143.11752	0.5
144.12126	0.4
146.99651	0.8
147.04372	1.7
149.01222	1.1
157.13371	0.4
158.13651	0.4
158.99678	0.8
159.03268	0.6
161.01254	0.5
161.02960	1.2
161.04849	0.4
170.99643	0.4
172.94408	0.4
173.02924	0.4
177.00717	0.6
179.05905	0.4
185.02898	0.5
185.09225	0.5
186.09557	0.8
188.14758	0.4
188.97150	0.3
189.00723	0.4
190.95401	0.9
202.04865	0.3
219.01805	1.7
222.04364	0.5
232.96561	0.8
237.02789	1.9
240.05431	0.4
250.97440	0.5
278.32886	0.4
287.14221	0.7
305.12082	100.0
306.12152	0.6
323.10162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.78159	1.1
56.96567	78.4
57.03427	3.2
61.02931	1.7
69.03420	3.8
70.06577	1.4
70.77320	1.3
70.77667	2.0
70.98123	51.4
71.95267	7.3
72.08138	1.3
72.96046	3.1
73.02912	1.7
74.97604	1.9
76.89232	1.0
84.08149	1.4
84.73785	1.0
84.96023	4.9
85.02904	6.3
86.09713	2.0
88.99161	8.3
94.95736	1.0
97.02863	3.2
98.97587	100.0
101.00881	3.6
107.00191	1.4
109.02898	1.6
110.97584	10.5
112.99129	3.2
113.00877	1.7
113.03513	6.4
115.00696	2.4
115.03931	1.3
116.98627	28.7
119.01919	4.1
124.95481	14.6
124.99116	4.1
126.97042	2.7
127.00674	3.7
127.03915	2.2
128.98602	12.1
131.00160	3.2
131.01875	2.0
131.05647	1.5
133.01743	1.3
133.03540	1.1
133.04959	3.2
134.99658	8.0
139.27351	1.0
140.98596	10.1
142.96512	12.4
143.00223	5.8
143.01920	4.1
143.08139	2.3
144.98080	4.6
145.01729	2.2
145.03473	1.7
145.04880	1.1
146.99672	9.5
147.04352	1.7
149.01221	1.9
149.06602	1.2
152.94920	3.8
154.96512	18.1
155.00151	2.0
155.01927	4.2
156.98080	4.6
157.03439	1.7
158.99643	13.3
160.97636	2.8
161.01256	3.7
161.02942	4.3
163.04311	1.2
165.00688	1.9
168.98344	1.1
170.96039	16.8
170.99666	2.7
171.73174	1.0
172.97597	43.2
173.01222	8.4
173.02972	3.5
174.99138	8.7
177.00726	8.9
177.02098	1.4
182.99678	1.5
183.04977	1.3
184.97614	8.9
185.02985	2.4
186.99213	7.0
187.00764	1.7
188.97069	20.1
189.00725	10.6
190.98640	35.9
191.02255	4.9
193.00201	4.8
195.01799	1.3
201.00732	9.2
202.98630	16.8
203.04018	3.0
205.00232	6.3
206.98132	4.7
207.01778	4.3
208.99669	2.6
212.97104	5.6
213.03574	7.8
214.98653	21.8
215.04008	1.7
215.07730	1.2
217.00188	3.1
219.01814	4.3
220.85191	1.1
220.99731	11.3
221.01646	2.5
221.04945	1.2
223.01184	2.2
225.03459	1.0
230.98125	20.8
232.96307	2.1
232.97179	1.6
232.99701	22.9
235.01248	4.0
239.00761	2.3
244.99715	8.6
245.05194	7.6
248.99176	11.0
251.00746	2.9
255.04556	2.3
263.00723	30.8
267.00351	1.3
268.63483	1.1
274.97504	1.4
277.00861	1.2
280.26828	1.1
281.01807	51.7
299.02954	6.5
305.01810	6.5
305.05234	2.2
305.11438	6.6
315.06558	1.1
323.02750	4.1
323.06393	1.7
327.06720	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	304.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.1
55.05499	19.0
56.05034	6.2
56.96571	25.0
57.03430	4.8
57.07065	6.8
59.04988	15.5
60.41155	5.4
67.05176	5.3
67.05506	71.4
69.03408	15.6
69.07076	7.0
71.05001	6.5
71.57143	6.1
77.69120	4.1
79.05505	22.6
81.03416	12.3
81.07065	27.6
83.08603	11.2
84.95994	4.3
85.02888	6.2
85.06557	4.9
87.04457	6.1
91.05495	29.0
93.07037	14.4
95.04970	12.6
95.08632	23.0
97.02903	4.2
97.06519	5.8
98.09676	15.6
98.97591	10.8
104.99288	6.0
105.07018	15.5
107.04951	11.3
107.08576	14.9
109.06510	14.6
109.10153	61.7
111.08063	5.9
113.05982	9.7
116.98603	5.8
117.07001	10.6
119.08563	13.1
121.06498	19.3
121.10139	5.4
125.09637	4.3
129.06813	4.1
131.08556	12.0
133.10080	6.4
135.08028	5.0
135.11713	5.7
137.05994	44.4
137.09673	7.7
141.06918	7.3
143.00214	4.5
143.08627	5.7
145.10118	17.1
147.11560	5.3
155.10648	18.8
158.99548	4.7
159.11696	12.6
168.13802	6.1
169.10129	11.2
173.11739	100.0
175.11031	4.9
177.12750	7.2
187.11188	19.0
187.13257	20.7
199.06331	5.0
203.12695	5.9
205.12300	6.4
223.13297	38.8
237.14925	27.7
281.10559	32.3
284.12793	33.5
299.11688	13.5
304.12207	5.4
304.19327	13.5
304.28360	15.7
307.42914	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	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85108	1.1
54.08017	1.2
55.05517	2.9
56.05021	3.4
58.06603	2.4
60.04513	2.6
62.06091	24.7
67.05499	6.2
69.07066	3.3
69.50276	2.1
69.50687	5.9
70.06596	7.0
71.04996	2.1
72.04521	13.4
72.08137	1.9
74.06078	1.8
76.70506	1.2
79.05489	6.7
80.05013	3.2
81.03434	6.0
81.07062	10.4
82.06572	3.9
83.04986	2.7
83.08627	2.4
84.08130	3.4
86.06059	1.8
88.07641	4.3
91.05481	5.6
93.07043	6.9
94.06589	3.3
95.04990	2.0
95.06035	1.3
95.08595	6.5
96.08121	2.2
97.06536	3.1
97.10217	1.2
98.06065	6.2
98.20769	1.9
98.97597	2.5
100.07629	7.3
105.07044	4.5
107.08575	4.6
109.06503	2.3
109.10204	1.4
111.08097	1.8
112.07619	1.3
114.09132	2.0
116.07085	4.4
119.08603	2.0
121.10171	2.9
123.08029	1.3
124.07588	2.8
130.08653	9.2
131.08614	3.6
133.10139	3.0
133.49770	1.1
135.11684	1.6
136.07574	11.2
138.12785	3.5
147.11652	1.5
149.09625	1.8
152.07045	1.8
157.10213	2.2
164.07053	6.1
166.12247	1.2
175.11194	1.9
182.08208	1.6
182.15399	2.8
185.09203	1.2
192.13873	1.9
193.12227	9.7
210.14902	23.6
210.16713	1.8
225.14899	13.5
226.17924	2.9
228.16080	2.5
236.16537	2.9
242.17522	71.2
254.17567	4.6
258.20642	4.8
260.18607	9.2
268.19012	2.0
286.20145	100.0
304.21201	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	304.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01864	4.0
55.05514	9.1
56.05027	8.0
56.23916	1.7
56.96561	3.1
57.03442	4.2
58.39971	2.0
60.04525	2.8
67.05503	12.9
67.63860	1.8
68.05039	3.5
69.03439	5.2
69.07073	5.7
70.06583	7.0
72.08156	4.6
74.06062	2.5
76.04008	51.9
76.04440	2.9
79.05496	8.6
80.05035	2.9
81.03413	31.9
81.07060	11.4
81.12596	1.8
82.06604	2.7
83.04977	8.5
83.08636	9.6
84.08129	4.1
85.02930	2.9
86.09702	6.6
91.05463	11.5
93.07034	7.8
94.06590	2.2
95.04975	13.6
95.08616	7.9
96.08125	2.5
97.02911	2.4
97.10177	3.6
98.20792	4.7
98.97597	7.9
102.05572	3.0
105.07034	8.0
107.04955	4.7
107.08595	4.7
109.06523	4.8
109.10146	2.8
110.06036	2.3
110.07188	2.6
111.04427	2.3
111.08080	3.9
113.06020	2.5
114.05514	4.4
116.98636	2.6
119.04922	2.1
119.08571	8.8
120.08113	16.9
121.06501	2.7
121.10157	2.6
123.08105	2.5
125.36376	1.9
129.07002	3.4
129.10242	6.7
130.05031	2.2
131.08589	5.5
133.10104	5.5
136.07568	4.9
142.07681	1.9
146.11778	3.8
147.04401	3.2
147.08078	2.1
147.11696	4.6
149.09637	4.4
150.12791	5.6
157.10086	7.4
158.99661	2.9
175.11180	8.0
178.12254	4.8
185.09138	2.4
193.12241	32.2
196.13365	20.3
211.13306	100.0
214.14407	8.7
224.07924	2.5
224.12903	6.1
240.15958	7.0
242.13968	10.4
260.14993	6.4
268.15344	4.5
286.16461	7.8
304.19022	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05217	0.9
53.03932	1.8
55.01870	2.0
55.05514	1.4
56.05036	2.0
56.96571	1.7
57.03426	3.6
59.03009	0.9
59.32496	0.8
60.04522	6.2
61.02921	4.4
67.05494	2.6
69.03434	12.4
69.07070	32.2
70.06590	3.1
70.60744	1.3
70.61099	1.9
71.04996	1.5
71.08630	17.8
72.08155	1.3
73.02918	2.3
79.05499	2.0
81.03414	8.2
81.07074	1.3
83.08601	1.8
84.04505	3.5
84.08130	1.4
85.02909	52.7
86.02441	5.2
86.09717	3.3
87.04472	1.8
91.03938	1.5
91.05466	1.2
93.07021	1.1
93.52362	0.9
95.08595	1.0
96.08131	3.6
97.02896	32.5
97.06510	5.7
98.88695	0.9
98.97591	3.1
99.04453	2.5
99.40282	0.8
103.03946	5.1
107.04965	1.2
109.02885	10.4
109.26223	0.8
109.46191	0.9
114.05594	2.0
114.08408	1.2
114.09171	17.3
115.03963	1.0
120.08122	2.4
127.03920	11.9
129.06976	1.2
129.10205	1.1
130.06570	1.2
136.07582	1.8
137.05997	1.4
138.09152	3.2
142.08641	100.0
145.04959	7.5
148.20042	0.9
156.08006	0.9
156.10170	2.7
158.99585	1.1
160.07520	0.9
166.08688	1.1
173.58817	0.9
178.08694	1.2
180.10191	1.0
184.09695	67.3
185.09288	1.2
196.13385	1.6
204.55211	1.4
208.09706	14.0
211.07591	1.2
211.13382	1.3
220.09698	2.5
223.07590	5.9
238.10822	1.9
250.10815	8.2
255.08640	1.6
268.09637	2.6
286.13678	1.7
286.18005	4.0
304.14200	3.2
304.19043	13.6
305.15775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57229	1.8
55.01867	2.4
55.05512	13.7
56.83335	1.6
56.96563	9.4
57.03432	13.7
59.04996	2.7
67.05181	2.1
67.05508	35.8
69.03422	3.6
69.07071	23.7
71.04987	6.9
71.56693	2.7
78.01527	1.7
78.67114	1.6
79.05496	23.8
81.03378	2.3
81.07059	100.0
83.04986	9.2
83.08631	11.6
85.02874	2.4
85.06535	7.3
86.46902	1.6
91.05479	27.3
93.07047	17.8
95.04958	7.7
95.08612	28.6
97.06538	16.8
98.97578	5.4
99.04481	1.8
99.08089	5.0
101.05978	2.0
105.07033	44.3
107.08600	17.5
109.06517	5.7
109.10168	4.6
111.04407	1.9
118.27225	1.5
119.07795	3.1
119.08583	34.4
121.06530	2.6
121.10145	32.4
123.08068	6.5
123.11711	36.6
125.09649	2.2
127.07599	3.6
129.07034	3.3
131.08539	2.5
133.10129	5.8
135.08041	2.5
135.11665	1.9
137.05991	8.1
137.13235	2.8
141.09010	2.2
142.07816	2.1
145.10106	3.2
147.04442	2.0
147.11693	91.9
149.01236	2.7
149.09602	2.3
151.07468	2.8
157.10159	6.2
161.05934	2.2
163.03885	1.6
165.05382	1.8
165.11401	2.9
165.12753	51.3
175.11201	6.0
183.12421	1.9
183.13774	9.3
189.09273	2.0
193.12256	5.2
207.10112	1.8
211.13425	2.0
220.22855	1.7
229.14381	14.7
267.13031	2.5
267.15927	75.9
285.16953	81.5
302.64035	2.1
303.16357	3.4
303.19693	6.3
303.23212	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41068	2.3
51.57215	3.0
53.03942	4.7
55.01865	5.6
55.05507	23.4
56.96571	20.5
57.03434	14.3
57.07064	5.0
59.05005	3.0
61.02923	2.7
65.03947	3.7
67.05506	38.2
69.03425	5.5
69.07072	29.3
69.45493	10.2
69.45918	10.7
71.04984	8.3
79.05500	32.2
81.03419	5.7
81.07056	100.0
82.07357	7.7
83.04974	13.1
83.08622	11.5
85.06535	8.7
86.09687	9.7
91.05466	32.9
92.04982	3.2
93.07037	30.3
95.04958	10.8
95.08599	36.1
97.02863	4.0
97.06521	24.1
98.97572	21.8
99.08089	6.4
101.06019	2.9
105.07030	49.6
107.08594	25.8
109.06517	10.1
109.10139	13.9
111.04511	3.8
111.05309	3.2
111.08060	4.1
112.99139	8.1
113.05978	3.3
116.98612	6.8
117.06983	4.3
119.04920	7.1
119.08576	38.0
120.08099	43.6
121.10139	31.0
122.03662	3.4
123.08080	10.1
123.11721	25.2
125.22552	2.7
127.03884	3.6
131.00146	15.0
131.08562	8.7
133.10138	13.0
135.08026	4.1
135.11708	4.1
137.05971	20.5
137.09601	4.0
137.13310	4.6
138.05473	12.2
138.09142	6.5
139.07654	3.5
140.98656	2.5
143.00191	5.7
145.10135	7.2
147.04399	18.5
147.11693	70.2
148.04858	4.4
149.01225	12.2
149.09627	6.9
149.13300	4.6
150.01540	3.2
151.11122	3.4
152.98331	2.6
157.10110	7.9
158.99701	5.9
159.11681	5.8
161.09691	3.8
161.13326	3.7
163.03827	4.6
163.07619	2.7
163.11134	5.8
165.12761	36.2
166.05003	22.5
167.02249	3.6
173.13263	3.8
175.11241	4.9
177.00720	6.1
177.05521	4.2
183.13829	6.8
187.07750	3.0
187.14761	4.8
189.00740	3.4
193.12227	4.0
199.14804	4.9
201.16476	5.8
203.02486	3.1
212.10594	4.6
212.60794	5.6
215.06946	3.4
216.57765	2.6
221.10849	3.1
229.14305	10.4
242.11612	3.4
257.12854	8.3
259.09653	6.2
260.99677	3.1
267.15930	44.0
267.21313	3.2
269.10556	4.1
272.11557	8.5
274.09537	5.5
284.62781	7.3
285.12253	11.4
285.16965	52.4
285.22043	6.1
288.05133	3.6
293.63425	6.0
294.13443	3.7
302.64011	35.2
303.07919	3.4
303.13300	70.6
303.19562	6.5
303.23245	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86704	0.2
53.59299	0.2
53.66659	0.2
56.96566	0.3
59.10602	0.2
64.69907	0.2
69.58801	1.0
82.99857	0.4
85.20820	0.2
90.17383	0.2
90.96286	0.2
91.71489	0.2
98.20612	0.2
98.97583	3.1
99.97968	0.2
101.00890	3.2
109.05425	0.2
116.98617	1.5
119.01924	4.0
126.85189	0.2
134.99727	0.4
137.02968	0.6
140.98830	0.6
158.99890	1.8
165.99760	0.3
169.02061	0.2
177.00958	10.0
178.01054	0.5
179.00775	0.4
182.99844	1.0
201.00958	3.3
217.04117	2.3
218.04150	0.3
219.02022	17.2
220.02141	0.8
221.01732	1.0
225.00882	2.8
242.03815	0.2
243.02010	11.7
244.02094	0.4
256.96640	0.8
261.03076	100.0
261.97205	0.2
262.00079	0.6
262.03204	4.9
263.03317	0.5
265.49011	0.2
279.00613	1.4
279.98126	0.3
280.00891	0.5
282.99921	0.6
284.04709	2.4
284.99911	2.6
301.01093	0.8
302.20010	0.3
302.97388	0.4
303.00858	2.1
303.04327	2.3
303.19846	0.9
320.97589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	9.2
57.03428	15.9
61.02917	29.3
69.03413	26.7
71.55830	9.7
73.02909	20.9
85.02496	7.0
85.02911	73.8
91.03925	7.8
97.02885	30.1
98.97615	34.9
99.04431	9.3
109.02849	7.0
110.97582	7.0
116.98632	9.2
119.01822	18.0
127.03962	30.8
128.02348	13.7
137.02829	6.9
145.04944	14.6
158.99709	9.4
161.02843	9.7
170.99715	8.4
174.99136	11.1
183.02431	11.4
184.43922	7.0
189.00761	11.8
191.03813	11.1
192.02731	12.2
199.55354	6.4
200.04427	16.6
204.02843	14.8
213.03448	38.5
213.05116	6.6
217.00168	7.4
222.03978	13.7
228.05774	6.7
253.56064	7.3
296.11929	7.3
303.08395	100.0
303.13812	9.9
317.06967	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.12005	0.3
57.07079	6.3
58.06591	0.5
69.96793	0.5
69.97197	0.9
70.06598	10.3
71.08289	0.3
71.08637	2.9
72.64109	0.3
80.30016	0.3
85.10167	0.9
86.06056	0.4
88.07636	13.6
102.09187	3.3
106.08664	7.9
119.50253	0.3
126.58910	0.3
208.98744	0.2
212.06900	0.3
240.26793	0.4
258.27945	0.7
258.51544	0.3
284.29486	5.7
302.30548	100.0
303.30856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.4
55.05511	46.6
56.05836	7.4
56.96552	21.0
57.03421	16.3
57.07069	11.0
67.05507	75.3
69.07063	25.3
71.56994	5.1
74.06066	12.1
79.05491	45.1
81.07056	63.6
83.04983	15.9
83.08605	20.0
85.06522	9.4
88.07652	30.3
91.05508	31.2
93.07042	49.3
95.04931	13.5
95.08604	58.9
96.08923	7.0
97.06520	23.6
97.10139	16.4
98.97585	17.7
99.08072	8.8
105.07006	20.3
107.08580	44.3
109.06505	10.9
109.10160	67.2
110.72926	5.3
110.97528	7.1
111.08048	13.1
119.08579	31.0
121.10112	23.2
123.08065	15.4
125.09615	20.8
133.10081	27.8
135.08058	10.3
135.11636	8.9
137.09607	12.2
139.11154	7.2
143.08522	6.1
144.99054	5.3
145.10034	7.0
155.10643	18.8
157.10078	8.3
171.11482	6.1
173.11722	77.7
175.14807	8.1
187.13280	20.3
193.12285	7.3
199.14857	10.5
203.12781	18.0
211.29933	5.6
217.15842	11.3
235.16917	72.0
242.24884	11.3
252.20421	20.0
261.02634	6.9
270.21649	8.6
286.04364	16.7
287.05054	68.3
301.63782	5.6
302.07431	100.0
302.17068	5.4
302.26855	67.6
302.30466	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	302.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30424	5.7
52.07992	5.3
55.01865	6.6
55.05511	46.8
56.05042	6.9
56.18636	5.8
56.96560	13.4
57.03433	17.0
57.07064	14.6
59.04990	5.4
67.05170	8.7
67.05508	100.0
69.03420	13.4
69.07077	36.0
69.36545	45.2
74.06081	11.8
79.05497	45.6
79.70778	5.7
81.07059	71.2
83.04989	12.8
83.08607	26.7
85.06538	8.5
88.07635	46.7
91.05478	35.0
93.07026	49.9
95.04971	10.6
95.08614	70.7
97.06521	20.3
97.10161	24.1
98.09698	6.2
98.97569	15.6
105.07024	29.8
107.08599	36.9
109.06530	18.8
109.10153	68.9
116.98608	11.5
117.07007	9.8
119.08575	40.2
121.10146	25.6
123.08089	17.4
125.09618	26.4
126.09942	6.6
127.61214	5.9
131.08566	13.2
133.10139	20.1
135.08023	8.6
135.11668	13.9
137.09625	18.4
137.25879	5.8
142.48396	5.7
147.11632	11.5
155.10638	12.0
158.99661	6.8
163.78134	6.1
173.11774	75.6
175.14839	7.9
187.13326	29.0
189.16370	8.4
199.14890	10.7
203.12767	25.1
217.15750	6.9
219.01709	8.4
235.16959	74.2
242.24869	15.3
252.20441	13.7
267.19510	8.9
286.04291	18.2
287.05029	67.7
297.11456	6.1
302.07452	96.7
302.17035	9.1
302.26880	83.0
302.30530	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.6
56.05047	1.0
56.96563	1.0
57.03449	0.6
60.04534	1.0
67.05528	0.7
69.03425	0.7
69.07079	0.6
70.06594	3.6
71.56759	0.9
72.08157	100.0
73.08508	0.8
80.05011	0.6
84.04516	1.0
84.08157	2.3
86.09709	28.7
88.24493	0.5
91.05478	5.9
93.07034	0.6
93.86451	0.5
95.04938	0.7
98.97586	1.9
100.07636	1.1
105.07064	0.7
107.04932	0.6
107.08627	0.6
116.98615	0.9
118.08690	0.8
119.04932	0.5
120.04507	0.6
128.06909	0.5
132.10213	8.4
135.02190	0.5
143.11804	68.2
147.04388	1.0
157.13374	8.3
161.21463	0.5
171.11298	37.9
185.12901	5.3
193.12262	1.0
203.13948	3.8
209.63670	0.5
210.14919	1.1
219.01775	0.9
220.31203	0.6
222.05510	0.5
222.08235	0.6
231.09062	0.6
231.16972	2.8
237.02638	0.7
246.12622	0.5
253.85823	0.5
260.18567	0.9
273.02802	0.6
284.18515	2.6
287.04956	2.8
302.07437	3.3
302.19846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
55.01884	0.4
55.05509	0.7
56.80713	0.3
56.96568	1.1
61.60046	0.3
61.60421	0.4
63.67648	0.3
67.05502	0.6
68.05830	0.4
69.07066	0.6
69.28691	2.3
69.29099	0.8
70.06590	0.7
72.70937	0.3
75.05592	0.9
77.68576	0.4
79.05486	0.7
81.07059	0.8
83.75383	0.3
84.08160	1.0
85.02919	0.3
86.09708	100.0
87.10043	0.4
91.05478	0.7
92.05820	0.5
93.07055	0.7
95.08580	0.6
97.02889	0.6
98.97582	2.2
102.96952	0.3
103.05476	0.8
105.07005	0.5
107.08567	0.4
116.98631	0.6
129.06989	0.6
131.04932	1.2
132.09204	0.7
132.10208	13.5
136.12006	0.4
137.05971	0.5
143.04446	0.4
143.11801	70.6
147.04387	0.3
158.99628	0.5
164.11568	0.4
171.11295	26.3
174.05531	0.7
177.05420	0.4
201.38989	0.4
210.12126	0.5
212.16457	0.5
219.01826	0.4
245.18642	0.6
256.19098	0.4
258.16980	1.4
263.65182	0.3
284.19299	0.4
287.05072	1.2
302.07382	3.1
302.17010	0.5
302.23163	0.5
311.12766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05514	0.8
56.89441	0.5
56.96560	0.9
57.03440	1.4
67.05507	1.9
68.05840	0.5
69.03434	0.8
69.07072	7.5
70.06590	0.7
74.46722	0.5
75.05602	17.7
79.05476	1.5
81.03426	0.6
81.07060	1.7
83.04975	1.2
84.08147	2.5
85.02911	0.6
86.09705	97.8
91.05464	1.6
93.07056	1.3
95.08590	0.9
98.09699	0.8
98.97590	1.8
103.05444	1.1
107.08614	0.6
111.04452	0.9
118.07354	0.6
121.10153	0.7
131.04955	2.2
132.10208	12.3
136.12030	0.6
143.11798	100.0
146.10437	1.2
147.04434	0.7
159.10130	0.6
164.11548	1.1
169.08476	0.6
171.11285	26.8
174.05490	0.6
178.26730	0.7
182.12614	0.5
183.12614	0.8
206.11908	0.5
215.08952	0.6
220.40421	0.6
229.63823	0.8
284.15741	1.3
284.19165	0.5
287.05063	1.1
293.15198	1.2
302.07333	2.4
302.16663	1.9
302.20313	1.2
311.03842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.2
55.01873	13.4
55.05503	18.7
56.96562	3.9
57.03438	30.7
65.03917	4.4
67.05505	63.3
69.03433	5.4
69.07062	12.6
70.06583	4.4
70.81182	7.8
71.04980	11.7
74.39053	2.9
79.05487	64.1
81.03410	13.5
81.07063	49.8
83.04977	28.9
83.08599	6.5
84.08130	4.2
84.96038	4.2
85.02892	7.3
85.06535	6.8
86.09698	8.2
88.60285	3.2
91.05482	38.0
93.07041	55.3
95.04987	20.5
95.08585	24.0
97.02893	6.4
97.06509	19.2
98.86010	3.3
98.97580	16.7
99.04467	7.7
105.07030	17.4
107.04279	4.4
107.04960	38.7
107.08600	34.3
109.06512	5.8
109.10164	11.6
110.97571	3.8
111.04448	36.5
111.08092	6.9
117.07021	13.9
119.08578	22.5
121.06509	8.6
121.10148	60.0
123.08039	4.6
125.05972	5.8
129.06981	5.2
131.08588	18.3
133.10100	6.7
135.08046	5.4
135.11696	40.9
143.08571	3.4
145.06482	5.9
145.10126	43.5
147.08040	5.2
149.09604	12.2
153.12746	15.5
155.08531	9.8
158.99704	4.2
163.11171	64.4
168.00552	8.1
173.09590	37.1
181.12233	29.7
191.10635	39.1
199.13249	3.3
203.16269	4.9
209.11792	33.9
219.01620	3.5
227.12808	26.1
265.14182	4.0
283.15414	24.3
285.03876	8.2
286.04755	50.4
301.07053	59.4
301.10306	5.7
301.16510	100.0
301.21991	10.3
319.10681	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01865	1.9
55.05501	1.1
56.05019	1.3
56.96566	1.9
57.03424	2.8
58.06596	0.9
60.04508	2.5
61.02914	3.2
65.03932	2.1
67.05508	29.6
67.77644	0.8
69.03432	15.5
69.06729	1.0
69.07071	13.7
70.06587	8.0
70.64923	1.7
72.08160	6.6
73.02888	1.4
74.06085	1.0
79.05513	0.9
81.03425	6.8
81.07050	0.8
84.04519	4.3
84.08149	12.2
85.02906	38.6
85.06520	0.8
86.02410	1.2
86.09708	19.1
87.04478	1.4
88.03975	1.2
91.03967	0.8
91.05458	1.5
93.07040	1.0
94.06528	2.1
95.04971	39.8
95.85542	0.8
96.08117	1.3
97.02287	1.7
97.02897	29.7
97.06505	1.3
98.54864	0.8
99.04475	2.1
103.03925	3.0
109.02867	7.5
110.07158	1.1
112.07613	32.8
113.05992	2.7
116.07068	1.1
118.44929	0.8
119.04900	1.8
120.08077	3.7
120.08906	0.9
121.06483	1.2
122.05997	2.2
123.04469	1.2
124.07575	2.0
127.03918	8.4
128.07005	1.2
129.10193	6.6
136.07561	3.1
140.07068	100.0
145.04948	3.6
147.04404	5.0
147.07634	1.0
152.07040	1.7
154.08629	5.7
164.07051	0.9
168.00580	0.9
178.08606	2.6
182.08141	57.9
189.12268	1.4
199.17992	1.6
203.09293	1.0
203.15950	1.0
206.08105	11.6
206.09921	1.3
218.08139	1.8
221.17009	1.9
236.09189	1.7
248.09212	7.4
253.22791	1.6
266.10342	1.1
275.21783	1.2
286.04587	1.3
287.05087	6.7
302.07483	8.9
302.12448	5.2
302.19644	1.7
303.14172	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01868	4.6
55.05515	12.1
56.96564	5.8
57.03431	7.0
57.07093	1.3
59.04992	1.2
65.03924	1.5
67.05505	19.3
68.99794	1.4
69.03420	4.7
69.07076	6.7
70.06580	3.4
71.04983	4.1
71.57244	1.8
72.58414	1.1
73.02911	2.6
73.74421	1.2
79.05492	18.5
81.03435	6.1
81.07066	15.9
82.06583	1.9
83.04984	7.2
83.08614	5.7
84.08115	2.5
84.96046	1.4
85.02908	4.5
85.06525	1.8
86.09704	3.6
87.04472	1.8
90.28824	1.0
91.05492	10.0
93.07050	18.1
95.01331	6.6
95.04977	5.9
95.08611	15.3
97.02889	4.2
97.06508	5.2
97.10168	3.9
98.97582	9.5
99.04477	3.1
100.11253	3.4
102.51255	1.1
103.05489	2.0
105.07047	8.9
107.04950	8.4
107.08601	12.6
109.02906	3.5
109.06525	1.9
109.10156	8.9
110.06075	1.8
110.97617	1.3
111.04440	3.6
111.08065	2.1
115.00686	1.0
115.05460	2.4
116.98645	3.2
117.07002	7.5
119.04948	2.0
119.08600	6.1
121.06509	4.8
121.10128	9.1
123.04449	1.4
123.08062	1.3
125.05972	4.3
125.09692	2.0
127.03862	1.1
128.06230	1.4
128.98579	1.4
129.05486	2.9
129.07036	3.3
131.04941	7.4
131.08571	3.9
133.06526	1.6
133.10143	3.3
135.08083	1.7
135.11711	18.0
137.06000	6.4
137.09688	1.4
138.81354	1.1
139.07506	1.8
141.61664	2.0
143.00267	1.6
143.08556	2.0
145.06500	3.8
145.09001	1.6
145.10127	12.4
146.06096	1.2
147.03391	1.1
147.04396	5.7
147.08040	2.1
147.11742	1.6
149.06035	2.0
149.09630	1.5
153.05502	1.8
153.12788	1.4
155.08588	1.4
157.06450	2.8
158.06041	1.5
158.99704	1.8
159.04404	1.7
159.11618	1.5
161.05986	6.3
163.11188	23.2
165.06961	1.4
168.00511	7.4
169.06606	1.4
171.04453	3.5
173.06036	2.5
173.09659	3.0
173.13277	1.3
177.00667	2.3
181.06458	2.4
181.10066	1.5
181.12238	8.2
182.15448	2.9
186.01591	3.3
189.05502	10.0
189.09117	2.6
191.10716	4.2
193.12297	2.4
204.05373	1.4
205.16620	2.1
209.11768	2.0
212.04688	1.4
218.66234	1.5
219.01738	2.8
219.16449	4.1
227.12816	36.8
229.04956	1.6
229.14380	4.1
237.02818	2.4
237.09181	1.7
241.00409	1.1
241.04935	1.4
241.09782	1.6
245.13895	2.6
248.99399	1.2
250.04910	1.7
255.11400	8.1
258.05270	14.3
259.10901	5.0
263.06018	2.0
265.08710	2.0
269.08051	1.7
273.14917	4.8
280.07831	10.7
280.58054	4.1
283.10510	4.1
283.15494	15.1
285.03888	8.8
286.04739	71.2
301.07111	100.0
301.11090	9.4
301.13904	16.0
301.21573	3.1
302.07477	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
53.88039	3.1
54.44475	3.0
55.01877	20.4
55.05507	18.0
57.03437	31.2
65.51603	2.7
67.05169	4.6
67.05508	58.4
69.03432	5.5
69.07078	10.6
69.31120	7.6
69.31536	16.2
69.71056	2.9
71.05027	5.3
73.02948	3.3
79.05493	52.9
81.03413	11.4
81.07067	37.3
83.04984	33.2
83.08608	6.8
85.02916	3.6
85.06546	7.9
85.84344	3.1
86.09707	4.4
86.39644	2.9
91.05477	29.4
93.03398	3.1
93.07053	58.6
95.04960	15.6
95.08618	24.9
97.02859	5.1
97.06537	21.2
98.97575	7.1
99.04456	7.2
99.08124	3.2
105.07043	17.5
107.04962	30.6
107.08620	30.2
109.06513	4.3
109.10165	11.2
110.69501	3.0
111.04454	55.4
111.08104	12.3
117.07032	16.2
119.08584	20.9
121.06543	9.0
121.10154	58.2
123.04426	3.1
123.08105	6.6
125.06007	5.5
129.06996	5.7
131.04898	4.4
131.08609	13.8
135.08096	3.8
135.11687	48.4
137.05984	20.7
145.06488	9.3
145.10146	46.7
147.04427	4.3
147.08081	6.4
147.11707	5.3
149.09691	14.5
153.12758	23.3
155.08549	8.0
163.11194	78.7
168.00591	6.0
173.09619	33.0
173.51706	2.9
181.12236	39.7
191.10703	51.1
209.11774	27.2
214.12263	3.8
227.12836	44.0
255.11372	12.1
265.14282	4.8
283.10873	7.4
283.15457	23.0
285.03989	4.0
286.04739	48.3
301.07156	53.5
301.11450	10.3
301.16562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01864	5.2
55.05512	11.3
56.96555	3.9
57.03436	4.6
57.07075	1.6
59.44998	1.2
67.05511	19.8
69.03422	2.6
69.07067	7.5
70.06581	4.2
71.04975	5.3
71.57142	2.4
72.33286	1.1
73.02933	1.7
79.05502	20.2
81.03413	3.2
81.07059	22.0
83.04996	5.9
83.08628	9.2
84.08151	1.6
85.06540	1.7
91.05484	11.4
93.07047	32.1
95.04990	8.5
95.08611	28.5
97.02895	4.1
97.06538	7.4
97.10151	2.0
98.97584	8.8
99.04449	4.4
105.07030	8.0
106.56960	1.2
107.04951	7.5
107.08604	22.5
107.12177	1.2
109.06515	3.8
109.10125	6.3
111.04443	5.0
111.08067	2.7
116.98647	2.4
117.07023	6.3
119.04995	1.6
119.08585	9.9
121.06483	3.9
121.10148	11.8
123.07980	1.8
125.05988	2.4
125.09634	1.5
129.05501	1.4
131.08577	3.0
133.10167	4.3
135.08083	1.8
135.11702	40.7
137.09554	1.3
139.07439	1.3
140.01022	1.7
143.08542	2.5
145.10127	26.1
147.04424	3.0
149.01202	2.5
149.09755	1.4
153.12758	2.1
158.99701	3.8
160.29250	1.2
162.10106	1.3
163.11192	43.5
168.00519	6.0
169.07594	1.4
173.09619	1.7
177.00648	1.4
181.12247	9.6
184.13341	1.6
185.13649	1.6
186.01657	3.7
187.13330	1.4
187.14873	1.5
191.10728	1.7
209.11832	3.1
227.12796	100.0
229.05162	1.7
240.04149	2.3
245.24612	1.2
249.02975	1.4
255.11314	1.9
258.05222	6.0
269.17471	1.7
283.15414	42.9
283.20581	7.4
285.03882	8.7
286.04730	50.2
292.12524	3.5
301.07089	67.9
301.16174	6.0
301.21652	2.2
309.11145	2.2
314.50455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1649
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
53.03946	6.5
55.01874	15.9
55.05510	17.2
57.03439	31.4
63.02534	2.2
67.05510	61.1
67.34817	1.9
68.79807	1.9
69.03417	4.6
69.07082	12.9
70.80903	4.6
70.81238	3.0
71.04999	9.1
71.13320	2.1
79.05495	61.7
81.03425	12.3
81.07059	47.4
82.06496	2.3
83.04980	36.2
83.08624	7.2
85.02911	4.2
85.06555	8.4
86.09746	2.7
91.05486	30.9
93.07049	62.6
95.04975	18.7
95.08611	25.5
97.02905	4.9
97.06534	16.1
98.97595	3.7
99.04487	5.6
105.07053	14.3
107.04970	40.3
107.08598	28.3
109.06528	5.7
109.10172	9.2
111.04443	34.9
111.08099	10.7
112.32838	2.0
113.05997	2.0
117.07021	19.0
119.08606	22.1
121.06521	5.2
121.10154	44.2
123.04459	2.7
123.08061	4.9
125.05995	4.1
129.05531	3.1
129.06981	4.9
130.06563	2.6
130.07845	4.1
131.04962	4.8
131.08582	15.1
133.10184	3.8
135.08072	7.2
135.11707	42.0
137.05994	4.0
145.06497	8.8
145.10135	49.0
147.04445	4.6
147.08093	3.2
147.11708	3.2
149.09662	9.5
151.05156	2.1
153.12793	14.1
155.08588	8.6
163.11208	75.1
168.00633	4.4
173.09639	32.4
181.12236	30.9
181.18192	2.2
191.10689	41.0
209.11766	28.5
227.12779	22.5
265.05539	3.3
265.14536	8.9
275.05951	9.6
281.08588	2.7
283.06400	6.7
283.15439	29.6
285.04138	3.9
286.04758	25.6
301.07147	33.5
301.10922	4.0
301.16541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
53.03942	5.5
54.19129	1.5
55.01870	13.7
55.05513	17.7
55.24847	1.7
56.96549	3.3
57.03437	28.6
65.03946	2.6
67.05505	53.9
69.03428	7.9
69.07066	14.8
69.89931	7.9
70.06582	4.0
71.01355	2.9
71.04990	6.5
72.08130	2.3
73.02912	3.6
79.05495	60.0
81.03433	9.6
81.07059	46.5
82.83353	1.5
83.03814	1.3
83.04986	24.1
83.08609	4.7
84.08152	4.1
85.02900	7.0
85.06545	4.7
86.09718	8.5
91.05480	32.7
93.06469	3.6
93.07043	52.5
95.04970	16.2
95.08609	19.7
97.02912	3.5
97.06544	17.5
97.10168	4.9
98.06054	6.3
98.97582	7.2
99.04471	4.2
99.08093	1.7
101.02407	2.2
103.03976	2.0
103.05461	6.6
104.02218	1.8
105.07051	16.9
107.04955	37.5
107.08588	33.7
109.02887	2.4
109.06512	6.7
109.10183	8.5
111.04437	34.2
111.08089	8.6
113.06054	2.3
116.98640	2.4
117.07027	17.3
119.04928	2.1
119.08582	17.6
121.06512	4.9
121.10154	42.5
123.04487	2.7
123.08067	4.3
123.11716	2.2
125.06004	3.5
125.09609	3.5
126.38864	1.8
129.06998	8.9
129.10204	1.9
130.07780	2.4
131.04936	15.6
131.08568	13.9
133.06555	2.1
133.10138	4.3
135.08061	7.0
135.11684	36.7
137.09557	1.6
139.07564	2.4
139.11229	3.6
143.08543	1.9
143.11812	1.8
144.06570	4.9
145.06499	8.0
145.10121	41.6
147.04387	3.8
147.08061	3.0
149.06078	1.7
149.09668	9.5
153.06947	3.0
153.12749	15.4
154.06503	5.8
155.07402	1.8
155.08574	6.9
156.08081	10.7
158.09660	22.8
158.99690	4.5
163.07610	2.6
163.09842	3.3
163.11182	54.7
167.07260	1.9
168.00551	5.8
168.08087	16.0
170.09698	3.2
173.09625	24.5
181.12224	24.9
186.01549	2.8
191.10669	33.2
209.09772	2.5
209.11746	39.4
214.08656	7.3
227.12787	21.9
245.13832	2.9
258.05331	3.6
265.14407	5.1
280.11087	1.7
283.15408	28.6
285.04065	8.7
286.01578	2.5
286.04724	58.6
301.07104	69.5
301.10706	4.6
301.16492	100.0
301.22006	4.1
301.25565	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
55.05519	10.5
56.96558	3.0
57.03437	5.2
61.02909	0.9
67.05170	1.6
67.05505	14.8
69.03419	1.1
69.07078	7.0
69.43828	6.2
71.04988	3.7
73.02914	1.8
79.05496	19.1
81.03432	2.3
81.07064	17.7
83.04970	5.4
83.08619	6.5
84.04507	3.2
85.02907	1.5
85.04839	1.0
91.05466	6.3
93.07047	30.4
95.04977	4.4
95.08611	32.4
97.02898	4.4
97.06543	4.5
97.10181	1.8
98.97591	3.1
99.04453	3.0
101.01871	0.8
102.79939	0.8
105.07027	5.7
107.04973	7.0
107.08603	22.1
108.46700	0.7
109.06520	2.3
109.10162	4.0
111.04469	1.9
111.08057	1.0
116.98652	0.8
117.07024	6.0
119.08595	7.4
121.06499	4.9
121.10149	11.5
123.11761	1.1
125.05990	2.8
130.07829	1.0
131.00168	1.1
131.08565	1.9
133.10141	2.9
135.08092	2.4
135.11697	37.2
139.07523	1.9
143.08537	1.7
145.10127	21.2
149.01256	1.5
149.56068	0.9
153.12759	1.6
163.11188	49.9
166.03226	1.2
168.00552	2.7
177.00790	1.8
179.56860	0.8
181.12215	9.8
186.01610	1.9
186.12236	0.9
209.11745	2.6
220.10216	1.0
227.12791	100.0
228.13054	1.2
240.07341	0.9
258.05295	1.8
267.09241	0.9
269.09274	0.8
269.12323	1.4
269.17804	0.9
283.15414	49.7
284.12784	1.7
285.03885	4.0
286.04749	30.1
286.07761	2.0
287.10715	1.0
292.12607	1.8
300.62268	1.2
301.07120	32.2
301.10559	3.3
301.18607	1.7
301.25153	0.8
302.13626	1.0
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
53.03944	3.0
55.01862	4.7
55.05516	12.2
56.96563	5.2
57.03450	8.0
57.07074	1.7
65.03924	2.6
67.05511	25.7
69.03435	4.2
69.07079	11.4
70.06602	2.9
71.04984	5.2
71.57556	1.6
72.08157	1.7
73.02931	2.5
79.05497	29.8
79.14406	1.4
81.03415	4.2
81.07056	24.5
83.04994	8.1
83.08630	9.7
83.25346	1.8
83.51232	1.4
84.04514	3.1
85.02908	2.7
85.04865	1.7
85.06554	2.0
91.05486	11.6
93.07054	31.4
95.04971	8.7
95.08616	31.5
97.02894	5.9
97.06540	8.8
97.10197	2.5
98.97581	8.1
99.04467	4.3
99.08035	1.6
103.05473	1.8
105.07043	9.0
107.04974	9.2
107.08598	23.9
109.06532	2.5
109.10156	6.9
111.04440	3.5
112.99155	1.6
113.59860	1.5
116.98640	1.8
117.07022	7.9
119.01847	1.6
119.04942	1.4
119.08579	10.2
120.23599	1.5
121.06482	6.1
121.10158	12.9
123.11775	1.6
125.05990	1.9
125.09641	2.5
131.00163	2.9
131.08536	3.1
133.10114	3.2
135.08057	3.2
135.11700	40.6
143.00194	2.0
145.10152	25.1
147.04402	4.0
147.11668	1.3
148.03989	1.9
149.01231	3.5
149.09610	1.8
151.11116	1.6
153.12758	2.2
156.03513	1.7
158.99686	4.0
159.11638	1.7
163.11195	49.4
168.00554	5.9
172.28462	1.7
177.00694	1.9
177.05489	1.9
177.11368	1.5
181.12254	13.3
186.01552	4.0
191.10677	3.6
194.12622	3.1
203.39288	1.5
209.11758	5.2
211.09787	2.6
220.10373	1.9
227.12791	100.0
241.08606	2.1
250.14297	2.6
251.14751	12.2
258.05130	2.7
269.10788	1.8
269.15573	8.4
283.15396	57.3
285.04053	9.3
286.04745	66.1
286.07605	2.6
292.12479	5.4
301.07104	73.0
301.10239	4.0
301.13345	3.0
301.16214	6.0
302.13858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01871	11.4
55.05518	20.7
56.96558	4.2
57.03439	17.3
67.05174	3.6
67.05505	46.6
69.03419	6.2
69.07059	14.8
69.36398	19.9
70.06586	10.4
71.04990	5.5
73.02881	2.8
79.05493	31.9
80.27568	2.3
81.03405	7.7
81.07056	30.9
83.04989	24.7
83.08612	10.4
84.08154	2.9
85.02900	7.3
85.06516	2.5
86.09700	6.7
87.04449	2.6
91.05476	18.3
93.07050	38.1
95.04965	11.7
95.08603	28.4
97.02885	8.3
97.06525	13.2
97.10168	6.8
98.97574	6.4
99.04455	5.4
100.54578	2.2
105.07042	11.0
107.04941	8.9
107.08601	31.1
109.06531	3.5
109.10133	14.4
110.97574	4.1
111.04439	40.0
111.08080	9.3
116.04711	4.4
117.07002	10.5
119.04952	3.2
119.08586	14.0
121.06475	7.8
121.10133	23.8
123.08080	3.9
125.06005	2.6
125.09614	4.9
127.03912	3.0
129.05487	11.2
129.06915	2.8
129.15213	2.3
131.04887	2.7
131.08566	9.8
131.19824	2.3
133.10144	4.6
135.11697	39.6
136.07590	2.6
137.05951	6.8
139.11171	3.4
145.10124	25.4
147.04402	6.7
149.05884	3.8
149.09618	4.6
153.12750	15.1
157.08606	2.6
163.11189	56.5
168.00507	5.3
173.09634	9.4
173.11758	3.0
177.00638	2.2
177.05449	4.2
181.12241	31.6
189.11195	4.3
191.10689	25.3
209.11739	34.5
219.01762	3.3
227.10522	5.1
227.12788	100.0
228.61009	3.1
237.02802	2.7
257.04575	3.3
265.05319	3.2
275.05908	3.6
283.06265	9.7
283.15396	44.3
285.03903	11.3
286.04697	59.5
301.07101	69.9
301.10742	4.9
301.16525	45.6
301.21774	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01878	8.7
55.05513	58.6
56.96545	2.1
57.03440	24.8
57.07043	1.5
59.04985	2.4
61.77040	1.1
66.81742	1.0
67.05505	33.5
68.99804	1.4
69.03407	4.1
69.07073	15.4
70.22703	1.2
70.23066	4.5
71.01337	3.9
71.04985	2.9
73.02911	2.5
75.04475	3.4
79.05065	1.7
79.05492	26.6
81.03402	5.5
81.06594	1.4
81.07059	24.1
83.04988	9.3
83.08614	14.7
85.02903	21.4
85.06535	1.6
87.04475	7.2
91.05477	10.5
93.07045	11.5
95.04947	5.0
95.08611	10.9
97.02872	4.1
97.06530	5.9
97.10171	40.0
98.20794	1.2
98.97581	5.0
101.02414	1.5
103.03954	14.1
105.07013	5.5
107.04959	2.9
107.08597	21.4
109.06505	1.9
109.10159	10.0
111.04440	5.0
111.08073	2.2
116.98587	1.7
117.07001	2.2
118.04174	1.4
119.08556	5.5
121.10138	5.0
123.08087	2.4
125.05989	1.2
125.09632	48.0
129.05467	3.0
129.07014	1.8
131.08565	2.9
133.10095	3.3
135.08044	1.7
135.11665	6.0
135.96219	1.2
137.09639	2.3
140.01088	1.6
143.08621	1.2
143.10684	8.0
145.06555	1.5
145.10184	5.6
147.08057	1.4
147.11702	1.6
149.09644	2.3
153.12738	4.1
157.10081	1.8
159.06543	1.6
163.11229	8.8
168.00539	9.4
173.09612	2.1
173.11775	3.0
174.24695	1.2
181.12224	5.2
186.01610	5.9
189.11165	2.7
191.10683	3.7
199.13287	6.4
209.11691	9.6
212.04541	1.7
217.14389	1.6
221.02940	2.6
227.12827	10.7
229.14401	3.1
240.04092	2.3
243.67697	1.3
245.13873	3.2
246.33958	1.2
257.13843	4.7
258.05255	4.2
283.15427	7.8
285.03986	12.0
286.04721	89.3
301.07065	100.0
301.16470	55.2
301.21616	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	300.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22389	0.6
55.01857	0.7
55.05513	1.4
56.05041	0.8
56.96555	1.7
57.03416	1.2
58.68364	0.6
61.02940	0.9
65.03954	0.7
67.05518	1.0
68.04996	0.7
69.03419	2.0
69.07076	1.6
70.06596	43.7
71.01345	0.5
71.56943	1.0
72.08160	4.7
74.09721	23.8
79.05488	1.3
81.07062	1.0
83.04999	1.0
83.08610	0.8
83.54993	0.5
84.04506	1.9
84.08142	1.8
85.02898	3.4
86.09710	55.5
90.05577	0.7
91.05484	1.3
92.05004	1.7
93.07048	0.9
95.04915	0.8
95.08682	1.0
97.02892	1.9
97.06533	2.8
98.97601	2.4
100.11222	1.4
107.04983	0.7
110.06055	16.2
110.07189	1.3
110.17432	0.5
112.08842	2.5
116.07098	100.0
116.98589	1.3
119.04961	1.7
119.08584	1.0
119.20625	0.6
127.03921	1.1
129.10194	1.4
130.08624	0.8
137.05975	0.9
138.05504	15.3
141.10185	0.8
147.04431	4.7
157.13377	27.7
157.14671	1.4
158.99814	0.7
169.09840	0.9
179.07016	2.4
180.06653	0.8
185.01071	0.6
185.12851	11.4
201.12389	0.8
205.56862	0.7
227.17526	2.0
229.15526	2.7
237.02904	1.5
238.29904	0.6
262.81311	0.8
264.19638	1.0
282.17300	1.1
282.20688	2.1
286.04755	2.7
300.10114	0.8
300.14713	1.0
300.18393	4.0
300.21982	1.6
301.07144	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	301.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
56.96571	2.2
57.03431	0.8
61.02918	1.0
61.09967	0.4
69.03436	2.4
69.62782	2.2
70.06604	3.2
71.05025	0.4
72.08131	1.5
73.02908	0.9
81.03378	0.5
81.07045	1.7
84.04514	0.7
84.08131	1.3
85.02503	0.4
85.02911	4.6
86.09690	1.8
87.10040	0.5
96.06860	1.5
97.02885	1.5
98.21493	0.5
98.97601	4.8
101.00839	0.4
109.02850	0.6
116.07067	1.2
116.98604	1.7
118.04157	0.5
118.04923	0.4
119.01871	0.8
119.04957	0.7
125.07133	2.5
127.03900	1.4
129.10229	0.7
139.08646	1.4
145.04944	0.8
147.04469	2.2
168.00598	2.1
171.07675	4.6
177.00706	2.4
186.01598	1.0
195.01747	0.7
203.03975	0.8
219.03464	0.7
221.05121	2.1
239.02232	1.1
258.05219	0.9
269.15036	4.0
285.03918	3.6
286.01511	0.5
286.04742	20.8
301.07361	20.9
301.12546	100.0
301.17838	3.5
302.13080	0.4
323.04489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05516	13.6
56.05042	7.5
56.57715	1.5
57.03433	3.4
57.94344	1.6
58.06597	3.0
67.05510	15.4
68.05037	2.3
69.03415	4.4
69.07077	10.2
70.06593	26.2
71.04993	7.6
71.28232	3.6
72.04488	1.8
72.08141	3.8
77.03891	1.6
79.05499	22.0
80.05019	6.5
81.02984	2.2
81.03426	33.2
81.07055	21.3
82.06590	10.4
83.04991	11.9
83.08624	15.2
84.04500	3.7
84.08123	3.6
85.02885	2.3
86.09700	7.3
90.05556	41.3
91.05493	16.4
91.11726	1.6
93.07050	19.1
94.06583	6.9
95.04976	13.3
95.08604	11.0
96.08130	4.2
97.02835	2.2
97.06545	3.5
97.10190	2.7
98.06050	3.7
98.97574	2.4
104.07095	5.7
105.07038	11.8
106.06565	1.7
107.04972	2.3
107.08583	9.7
108.08089	2.4
109.06519	3.3
109.10159	3.9
110.09678	2.7
110.97478	1.4
111.04597	2.2
111.08090	10.6
112.07588	1.8
116.07101	4.3
119.08602	9.9
121.10149	9.0
123.08067	2.3
123.11700	4.8
125.09602	2.0
127.07550	1.7
128.07118	1.8
129.07005	5.8
129.10263	1.8
131.08591	10.5
133.06535	2.2
133.10129	7.3
135.11703	1.8
138.12808	8.1
144.06471	4.1
145.10129	2.5
147.04457	2.4
147.11652	8.6
149.09641	8.6
152.07011	2.6
157.10106	9.3
164.14362	5.9
166.12296	2.2
167.10669	2.3
175.11159	11.9
182.15388	6.3
184.13380	4.8
192.13834	7.2
193.12260	52.1
194.50735	1.8
202.14275	2.0
208.16997	3.2
210.14900	100.0
211.13297	83.0
212.16493	4.6
218.15544	2.0
226.17975	7.9
228.15953	52.0
236.16536	13.8
238.14384	12.1
254.17529	65.1
256.15430	30.0
272.18665	3.8
282.16971	9.3
300.14713	2.7
300.18054	42.1
300.21619	8.0
300.25314	6.5
301.07123	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.96537	1.3
54.39838	1.3
55.01868	3.0
55.05505	8.8
56.96556	3.6
57.07067	4.1
59.05035	1.7
61.00654	1.4
61.01149	1.4
61.26344	1.3
61.44487	1.2
65.03931	2.1
67.05518	12.0
69.03422	10.3
69.07059	5.9
69.45117	10.2
71.04968	3.2
79.05491	12.3
81.03407	3.1
81.07056	13.1
83.04988	5.0
83.08624	7.7
85.06557	2.1
89.40158	1.4
91.05482	15.6
93.07053	16.9
95.04974	44.0
95.08618	13.9
97.06519	4.8
97.10130	1.6
98.21446	3.1
98.97596	2.7
103.99657	1.5
105.07040	23.0
107.08609	24.4
109.06540	20.4
109.10161	10.2
111.08079	3.1
115.05450	2.2
116.98602	2.6
117.07047	7.2
119.08598	39.1
121.06507	6.8
121.10152	11.7
123.08058	4.6
123.11713	2.4
125.09643	4.6
128.06198	2.2
129.07043	3.0
130.07813	2.8
131.08583	13.2
133.10138	14.7
135.08063	17.1
135.11694	4.8
137.09630	5.8
141.07051	2.7
142.07803	4.9
143.08574	14.9
144.90102	1.6
145.06480	1.9
145.10135	35.1
147.08009	3.0
147.11679	6.4
149.09599	6.0
151.11162	2.1
155.08582	6.2
156.09355	6.1
157.10139	16.8
158.07323	3.4
158.10945	2.1
159.08058	5.3
159.11717	8.5
161.09669	7.9
161.13243	3.0
163.11201	5.4
167.08617	1.9
169.10135	7.6
170.10876	3.1
171.11720	10.8
173.09689	9.7
173.13261	10.2
175.11266	2.6
177.09152	3.6
179.08565	2.3
181.10081	2.9
182.10921	3.8
183.11655	7.4
185.09663	2.5
185.13266	6.3
187.11157	3.1
187.14772	2.8
189.12654	2.5
193.10159	3.9
195.11716	4.2
196.08951	1.5
197.13278	13.2
199.11215	7.1
199.14870	9.6
201.12686	4.5
207.11742	4.5
208.12411	3.6
209.13402	1.7
210.10432	2.2
211.11218	4.1
211.14847	3.7
213.12729	3.7
215.14302	6.4
217.15883	5.2
221.13268	2.6
223.14856	6.9
225.12802	9.1
229.07402	2.0
233.13161	1.7
239.14291	2.4
239.17984	1.9
241.15878	6.4
243.14017	7.3
251.14351	2.0
253.19461	8.8
255.17346	1.7
257.18985	9.0
262.16959	1.8
263.18048	2.7
269.15210	2.4
271.20566	3.0
275.97919	1.6
281.19089	17.0
281.22122	2.7
299.05930	1.7
299.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74747	0.9
53.03941	3.7
55.01862	1.5
55.05516	8.9
56.96562	1.6
57.03435	4.3
57.07076	1.4
61.10472	0.9
65.03936	1.7
67.05172	1.9
67.05511	28.9
69.03413	1.7
69.07068	8.7
69.30872	1.0
71.04983	2.5
73.02866	1.1
79.05498	43.5
81.03427	3.9
81.07064	22.5
83.04990	7.7
83.08624	4.0
84.04510	1.8
85.02880	1.1
85.06559	2.5
86.13883	1.0
91.05488	32.0
93.06471	2.0
93.07053	37.9
95.04980	8.6
95.08605	11.9
97.06553	5.1
97.10175	1.9
98.97604	2.2
105.07037	25.0
107.04950	2.2
107.08595	10.4
109.06522	2.5
109.10162	3.4
111.08098	1.8
117.07022	4.2
119.08594	12.6
121.06504	1.5
121.10156	3.5
123.08058	2.9
128.06241	1.7
129.07031	10.3
131.08525	1.4
133.10117	5.9
135.08038	1.9
135.11694	1.4
143.08577	6.1
145.10104	5.9
147.08060	1.7
147.11694	26.8
147.12798	2.1
151.07637	1.0
158.99681	1.2
159.11722	1.3
161.09610	3.0
161.13261	7.7
169.10115	1.0
171.11691	20.5
189.12758	8.6
207.13850	15.3
209.11504	100.0
266.53375	1.0
281.13852	3.3
281.17493	49.2
299.05490	2.0
299.08951	2.5
299.14655	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	299.2006
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
53.03923	1.1
55.05521	4.0
55.42277	0.6
57.03412	1.5
57.07061	0.8
57.11411	0.6
58.62120	0.5
65.03928	0.8
67.05509	3.9
69.03420	1.1
69.07072	3.6
70.14710	1.4
71.08624	1.5
71.67183	0.6
79.05504	4.6
81.03435	1.4
81.07065	8.4
83.04980	1.7
83.08606	2.2
83.95502	0.6
85.02862	1.1
85.06544	1.1
91.05486	25.5
91.32957	0.6
93.07048	6.5
95.04978	1.9
95.08613	7.3
97.06515	1.3
97.10169	1.0
98.21552	0.7
98.97562	1.8
99.08079	1.5
103.05447	0.9
105.07038	13.1
107.08609	6.6
109.06493	1.3
109.10149	2.0
110.15575	0.6
111.04480	1.5
111.08040	1.3
115.05478	2.5
116.06245	5.4
116.98626	0.8
117.06989	2.0
119.04951	5.4
119.08594	13.3
121.06500	1.4
121.10144	6.9
123.08044	2.2
123.11676	1.0
125.09642	2.2
128.06210	1.2
129.07010	7.6
131.08577	37.2
133.10155	3.3
135.08075	1.2
137.09579	1.1
142.07742	1.4
143.08553	3.1
145.06512	0.7
145.10114	4.1
147.08060	1.1
147.11702	3.8
149.09630	5.3
155.08554	1.4
156.09384	1.3
157.10161	4.1
159.08061	100.0
159.11667	2.4
161.09641	2.4
161.13254	1.1
165.12740	2.2
167.08664	0.6
169.10118	2.3
171.11670	3.7
175.11128	1.0
181.10094	0.8
183.11699	1.9
187.11229	1.6
189.12747	2.8
193.10170	1.7
193.12201	0.7
195.11705	0.7
197.13319	2.8
199.11169	3.6
199.14815	1.4
201.12692	1.0
206.10980	0.7
207.11806	1.0
207.13782	0.8
209.13261	1.0
210.10388	0.7
211.11150	1.0
211.14816	1.3
213.12889	0.8
221.13359	1.3
223.14885	0.9
225.12825	2.7
233.13322	0.8
235.14828	0.9
237.12500	0.7
243.13998	1.5
248.15790	0.7
253.19600	1.1
257.19058	1.6
263.17966	2.8
275.97928	1.0
277.96674	0.7
281.19052	18.8
281.21869	0.7
299.05896	1.1
299.20105	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	299.1491
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
51.96202	1.2
53.00312	10.7
53.03936	5.3
55.01874	9.6
55.05511	41.7
56.96555	1.8
57.03193	1.9
57.03441	24.5
57.07074	2.1
59.04988	4.9
64.43597	1.2
65.03931	2.5
67.05171	1.8
67.05505	23.4
69.03428	4.9
69.07057	3.5
69.85953	7.5
70.06593	2.3
71.01343	5.7
71.04987	3.0
73.02892	1.6
79.05497	18.4
79.67187	1.4
81.03408	10.8
81.07060	33.3
83.04992	6.6
83.08620	24.0
85.06522	3.0
91.05486	38.4
93.06486	1.5
93.07053	25.6
94.51667	1.2
95.04970	8.1
95.08611	9.1
97.02893	11.6
97.06557	8.1
97.10160	3.3
98.97528	1.6
99.00817	48.5
99.04446	1.5
99.08012	1.7
101.02338	1.9
103.05463	3.4
105.07032	33.9
107.04961	10.3
107.08597	14.3
109.02888	26.2
109.06496	5.4
109.10178	9.0
111.04420	4.0
111.08092	7.1
115.03907	5.6
115.05445	1.5
116.98627	1.5
117.07018	4.9
119.04942	1.8
119.08580	16.6
121.06512	15.0
123.04427	4.5
123.11718	4.9
127.03935	6.9
128.06200	3.7
129.07022	1.6
131.08574	2.9
133.06461	3.5
133.10133	71.9
135.08073	2.8
135.11668	1.8
137.05983	3.4
137.09639	3.1
139.07549	7.1
143.08565	7.7
145.06516	2.4
147.08018	2.3
151.11183	23.7
161.09627	41.0
165.09152	2.6
171.08052	8.9
179.10684	28.2
186.50800	1.7
189.09119	27.7
196.38232	1.5
197.11729	12.0
207.10190	14.8
225.11220	42.9
243.12271	4.5
267.15964	2.5
281.13965	2.9
299.14890	100.0
299.20343	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	299.1493
Annotation	Tehranolide
Peak:m/z	Relative Intensity
50.05035	1.1
50.56419	0.9
53.00317	10.3
53.03939	4.8
55.01869	4.9
55.05515	34.1
56.96548	1.5
57.03442	27.9
57.07084	2.0
58.61760	1.1
59.05019	5.3
65.03925	1.9
67.05183	1.5
67.05509	23.2
69.03419	4.8
69.07057	4.5
70.06591	1.7
71.01345	4.7
71.04996	2.1
71.57194	1.7
72.08138	1.0
73.02917	2.4
79.05493	15.2
80.75423	1.0
81.03428	8.9
81.07065	34.8
83.04985	3.8
83.08142	1.7
83.08627	24.2
83.70274	1.1
85.06532	3.9
91.05488	37.7
93.06478	1.9
93.07052	31.8
95.04984	7.6
95.08609	9.3
97.02902	8.9
97.06544	6.1
97.10155	1.5
99.00820	45.3
99.04442	3.9
101.02382	1.8
103.05468	2.6
105.07042	35.1
107.04954	10.9
107.08602	11.7
109.02142	1.2
109.02882	22.4
109.06540	6.4
109.10176	7.4
111.04451	2.6
111.08104	6.7
113.06062	2.0
115.03947	6.1
117.07021	6.0
119.04916	2.7
119.08593	16.7
121.06512	14.6
121.10131	2.0
123.04427	3.9
123.08085	2.2
123.11714	4.0
127.03918	4.4
128.06233	2.2
129.07047	2.8
131.08583	2.4
133.06485	3.7
133.10141	64.7
135.08063	2.5
135.11702	3.5
137.05978	3.8
137.09615	4.1
139.07532	4.7
141.05542	1.7
143.08577	8.8
145.06483	2.2
145.10118	1.7
147.04404	1.5
147.08035	1.9
151.11194	22.6
155.07108	1.2
161.09630	43.5
163.11267	2.6
165.09114	3.0
171.08035	7.8
179.10689	27.0
189.09113	26.1
197.11754	11.3
207.10185	11.8
225.11235	42.7
243.12300	5.2
267.12122	3.0
278.66077	1.2
281.13904	6.6
299.14896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91310	0.6
55.05523	2.8
55.66105	0.5
56.96560	2.7
57.03432	0.7
57.07068	0.8
63.59333	0.6
67.05495	5.9
69.03410	0.6
69.07060	1.6
70.98151	0.6
71.04985	1.0
71.56860	0.7
72.56223	0.6
79.05501	7.6
81.03429	1.5
81.07058	6.6
83.04971	2.3
83.08640	1.0
91.05481	6.2
93.07043	8.4
95.04974	1.8
95.08598	2.7
95.09126	0.6
97.06518	1.2
97.10174	1.0
98.97603	1.0
99.80457	0.6
100.47159	0.7
105.07037	4.3
107.04958	1.8
107.08601	2.1
109.10178	0.8
116.98564	0.8
117.07035	0.7
119.08580	2.4
121.10164	1.9
123.08021	0.7
125.55845	0.6
129.06987	1.9
133.10149	1.5
135.11732	0.7
137.64523	0.6
143.08543	1.2
145.10127	1.7
147.11691	5.0
149.70441	0.7
161.13289	0.9
163.11200	1.5
171.11682	3.7
173.09613	1.0
189.12733	1.7
207.13820	2.7
209.11496	100.0
227.21541	0.6
231.99249	0.7
260.11749	0.8
281.13623	1.8
281.17462	8.3
297.10193	1.5
299.10999	4.4
299.14621	7.6
315.10999	1.4
321.39279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.96550	1.1
59.52303	0.4
61.44207	0.4
67.05499	1.1
69.07084	1.1
70.84692	1.2
79.05475	1.0
81.03413	0.8
81.07050	1.0
83.08591	0.6
91.05486	0.9
95.04975	0.7
95.08594	1.1
97.06556	0.5
98.97563	0.9
105.07032	0.6
121.65740	0.5
133.10147	0.9
143.01859	0.6
209.11496	100.0
214.19498	0.5
215.29881	0.5
267.09061	0.5
281.13586	0.7
299.09445	0.6
299.14716	12.9
299.19989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95238	0.7
55.53094	0.8
56.96294	1.1
56.96569	20.0
67.05515	1.2
69.26890	1.2
69.27293	6.3
72.96063	1.2
88.34090	0.7
108.42776	0.8
110.97515	0.9
119.08526	0.9
136.98880	0.8
137.02745	1.8
139.00688	4.2
141.02231	1.0
151.00688	1.9
153.02234	1.8
157.01718	2.1
165.02226	1.5
167.03802	3.5
171.03316	2.6
181.05420	1.1
183.03348	0.9
185.04863	10.0
193.05418	1.4
195.06906	1.1
197.04829	1.0
199.06377	1.4
203.05864	7.1
211.06444	3.0
213.05988	1.0
213.07953	0.9
217.07622	0.9
217.49652	0.7
219.06972	1.3
221.08597	1.1
223.06534	2.7
229.07491	1.8
231.06877	2.1
237.07964	2.3
241.07628	1.4
241.10884	0.8
249.07994	11.1
255.09091	1.8
267.09052	100.0
273.10144	0.9
281.10922	0.9
281.13470	4.0
285.10104	83.5
287.19370	0.9
290.10641	4.5
292.35431	0.8
299.11987	19.4
299.14758	14.3
303.11221	1.1
308.11646	4.8
317.12708	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	299.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.0
56.96292	1.8
56.96564	20.6
67.05508	2.3
70.26668	3.3
75.90444	1.0
79.05518	1.2
81.07059	2.3
89.53162	1.0
91.05450	1.3
93.07056	1.4
95.08629	1.7
97.06503	1.2
98.18066	1.1
98.97572	1.6
105.07042	1.7
107.08556	1.1
109.10126	1.2
110.97620	1.5
115.00706	1.3
119.70959	1.0
137.02737	1.7
139.00674	4.5
153.02231	2.1
155.03752	1.5
157.01764	2.3
167.03804	4.4
169.01791	1.6
171.03268	2.1
183.11647	1.2
184.98970	1.1
185.04871	10.6
189.04344	1.5
193.05324	1.2
195.06886	1.6
203.05885	8.8
205.05408	1.0
211.06349	3.1
217.07611	1.7
221.08626	1.4
223.06511	2.5
231.06937	2.8
237.08075	2.3
249.07980	11.8
255.09158	2.0
267.09048	100.0
281.13608	3.5
285.10104	89.8
290.10587	4.9
299.12009	24.9
299.14728	15.4
303.11108	1.6
308.11664	4.5
317.12726	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	298.097
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
54.42853	0.2
56.21056	0.2
60.33788	0.2
61.01156	3.4
65.24472	0.2
69.03427	0.5
69.80389	1.2
70.06590	0.4
72.08187	0.2
75.02714	2.1
86.09712	0.2
94.04057	0.4
97.02914	1.1
98.97590	0.3
103.02176	0.4
110.07147	0.3
110.95129	0.2
119.03606	0.6
136.06195	100.0
145.03185	1.4
163.04274	1.4
177.05542	0.2
234.41653	0.2
254.13876	0.4
298.09692	5.3
298.13116	0.3
298.16568	0.4
298.19986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
51.39558	1.8
53.03958	1.9
55.01866	5.5
55.05269	2.9
55.05513	44.8
56.96551	2.8
57.03439	21.7
57.07075	15.5
67.05508	67.2
69.06727	2.9
69.07072	51.8
69.78949	9.9
71.05002	17.1
71.08627	5.6
73.02913	2.8
75.04494	2.2
79.05489	27.5
81.07061	88.6
83.04992	3.3
83.08625	34.0
85.06553	14.7
85.10170	2.3
91.05474	6.9
93.07048	32.5
95.08615	72.2
97.06551	20.5
97.10177	23.1
98.97604	4.1
99.08075	6.2
105.07023	7.4
107.08598	23.2
109.10164	31.0
111.08073	9.0
111.11702	5.3
119.08589	7.1
121.10155	34.4
123.11713	19.0
125.09644	3.6
129.05475	6.3
133.10112	5.9
135.11697	17.8
137.13255	5.6
139.11247	2.2
142.97055	2.0
147.11687	4.0
149.13222	6.9
151.14803	3.8
161.13275	7.2
163.14850	4.2
165.12680	3.5
179.14307	4.3
205.19534	12.9
223.20546	7.6
225.96324	2.2
232.96335	2.1
243.21123	3.3
261.22125	7.9
265.18030	2.5
274.97519	3.6
277.13623	2.6
279.23160	13.2
292.98694	2.0
297.24261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
50.15219	1.0
53.03945	2.3
55.01862	4.3
55.05511	30.0
56.96553	1.4
57.03427	5.0
57.07060	4.3
60.36024	1.1
65.03937	1.7
67.05502	43.7
68.05836	1.4
69.03440	2.4
69.07066	48.5
69.55524	2.7
69.55930	6.3
71.04993	7.8
71.08633	3.0
73.06548	3.2
77.09473	1.0
79.05489	30.5
81.03429	1.4
81.07056	71.3
82.07378	1.2
83.04984	8.6
83.08611	7.1
85.06533	5.7
91.05479	9.0
91.47947	1.0
93.07044	42.2
93.07635	2.3
94.07375	2.0
95.04958	1.8
95.08608	54.7
95.35793	1.0
96.04580	1.1
97.06525	13.9
97.10160	16.1
98.97556	2.3
99.08092	4.1
101.59540	1.1
103.73754	1.2
105.07037	6.5
107.08598	14.1
109.06525	2.0
109.09440	0.8
109.10152	22.8
111.08098	1.1
111.11708	4.3
116.98621	1.8
117.07017	1.5
119.08558	5.1
121.10144	32.7
123.08051	2.1
123.11696	14.2
125.09633	1.4
131.08543	6.1
133.10136	7.6
135.11691	8.4
137.09566	1.1
137.13278	5.7
139.11177	14.8
145.10114	3.7
147.11662	4.5
149.09567	1.8
149.13272	7.3
151.11176	2.8
151.14847	1.4
159.11716	3.7
161.13258	3.5
163.11035	1.3
163.14783	1.5
167.14342	2.7
173.13301	2.7
175.14760	1.9
177.12759	1.2
177.16325	1.4
179.14369	2.0
182.68954	1.1
187.13283	4.4
187.14713	2.6
193.15987	1.2
203.12732	6.4
209.15459	1.3
223.16986	2.0
233.22632	2.8
243.21019	6.2
261.22150	28.4
274.97479	2.1
279.23181	100.0
297.16779	1.6
297.24289	13.0
300.40521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01863	9.1
55.05260	5.2
55.05514	60.2
57.03434	4.3
57.07059	7.4
59.04987	2.7
59.36885	2.3
60.62699	2.5
65.10310	2.4
67.05506	71.8
69.03416	6.1
69.07069	49.5
69.55730	17.9
70.26854	2.3
71.04965	4.2
71.08626	7.7
79.05496	33.6
81.07059	79.1
83.04971	6.5
83.08617	35.8
85.06535	7.0
91.05482	9.1
93.07055	28.7
95.08057	4.0
95.08616	64.8
97.06543	11.4
97.10179	54.1
98.20750	5.5
99.08098	9.2
100.64362	2.7
105.07031	5.6
107.08607	41.2
109.06422	2.8
109.10161	44.2
111.08090	5.5
111.11755	3.2
117.07052	3.2
119.08584	4.7
121.10147	12.0
123.11716	17.3
125.09627	33.0
131.08582	5.2
133.10158	4.8
135.08064	5.5
135.11697	25.8
137.12228	2.8
137.13220	15.6
147.11687	8.5
149.13301	6.1
151.14713	3.9
153.12741	9.7
155.10707	4.0
159.11757	4.6
161.13333	5.0
163.14839	4.6
165.12825	5.1
167.10684	2.8
171.10120	7.3
173.11748	6.3
173.13182	5.7
177.12764	4.2
177.16446	2.8
179.14240	3.8
181.16006	2.7
183.13814	13.3
187.14839	3.2
189.11234	25.7
201.58112	2.7
209.15344	3.9
221.75252	2.6
223.17039	3.3
233.22725	4.8
243.21115	12.8
251.23721	3.4
261.22177	29.3
279.23212	100.0
297.24374	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	297.2425
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01865	2.6
55.05510	11.1
57.03424	1.9
57.07091	6.3
67.05508	35.8
69.07065	13.5
70.08636	4.8
71.05005	2.3
71.08635	100.0
71.95081	1.5
79.05491	18.1
81.07061	52.2
83.04987	3.2
83.08618	15.1
85.06541	1.8
85.10178	2.3
89.94905	1.2
91.05498	14.4
93.07044	17.8
95.08611	33.2
97.06547	6.0
97.10168	6.8
98.31961	1.2
99.08099	88.6
105.07033	15.3
107.08613	12.0
109.10167	13.6
111.08080	3.5
113.09673	1.5
117.06976	2.2
119.08590	9.8
121.10133	10.6
123.08092	2.2
123.11727	7.8
125.09618	2.5
127.11180	3.7
131.08571	6.1
133.10139	3.8
135.11691	6.4
136.12025	1.2
137.13272	5.7
141.12753	1.8
145.10097	7.2
147.11691	52.2
149.09622	2.0
149.13258	3.3
151.11192	1.8
151.14912	1.5
153.12799	8.9
159.11703	3.2
161.09641	1.4
161.13252	4.2
163.11188	9.0
163.14833	19.2
165.12770	18.2
167.14339	5.0
173.13257	4.8
181.15913	11.1
187.14890	2.1
209.15364	2.2
223.17126	1.4
233.22720	2.1
243.21097	13.7
251.23715	2.8
257.66397	1.5
261.22165	24.7
279.23203	80.9
297.18951	1.6
297.24631	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	297.2214
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03961	5.1
55.05508	16.5
57.07088	8.0
58.02943	7.8
67.05512	26.0
69.07069	34.0
71.57638	4.8
79.05479	16.8
81.07059	56.7
83.04981	7.0
83.08631	5.8
91.05498	28.1
93.07050	69.5
95.04967	18.3
95.08617	85.6
97.06523	12.7
105.07030	80.9
107.08592	50.5
109.06512	10.1
109.10159	30.8
117.07038	16.1
119.08567	52.4
121.06497	21.5
121.09328	6.2
121.10159	100.0
123.08083	5.9
123.11707	78.7
125.26653	4.8
128.06262	8.1
131.08597	19.9
133.10129	62.9
135.08023	6.2
135.11668	12.8
142.07817	19.1
143.08577	16.6
145.10132	44.7
147.11720	27.3
149.13254	7.3
152.37741	6.1
155.08601	6.3
157.10141	52.3
159.11636	24.4
161.09657	15.3
161.13240	7.0
169.10181	5.5
171.11678	8.2
173.13254	7.5
175.11177	33.1
175.14809	15.4
181.10298	6.6
183.11737	8.0
183.43408	4.9
185.13336	8.0
187.11191	5.6
187.14819	12.3
189.16266	5.6
195.11818	7.8
197.13269	6.5
199.14827	10.0
201.16466	7.2
209.13298	15.5
213.16296	6.2
222.18794	5.2
223.14861	15.4
241.15831	8.8
269.22412	6.2
279.20743	5.6
297.22021	55.2
297.25165	7.5
297.29898	14.6
298.30859	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	297.1698
Annotation	Benesudon
Peak:m/z	Relative Intensity
53.03946	17.1
55.01862	6.9
55.05510	8.8
56.96558	5.8
57.03439	12.4
57.07073	2.6
59.65037	1.5
65.03941	3.6
65.96249	1.7
67.05508	41.6
69.03433	2.8
69.07066	9.3
70.06581	5.4
71.04968	2.9
71.56957	1.5
71.57378	2.4
73.82619	1.4
79.05496	27.4
80.66181	1.5
81.02979	2.8
81.03419	36.3
81.07063	49.1
83.05009	8.6
83.08619	5.2
84.08150	2.3
84.96009	1.8
85.02908	2.4
85.06545	4.9
85.07313	1.6
91.05486	19.9
93.07044	40.8
94.07430	2.4
95.01310	2.3
95.04971	13.3
95.08616	29.2
97.06516	5.8
97.10183	1.6
98.97591	9.8
99.08067	1.8
103.05446	4.3
105.07047	12.7
107.04961	25.4
107.08599	13.7
109.06501	4.5
109.10165	6.6
111.04402	2.2
111.08076	3.7
116.98621	4.9
117.07034	14.1
119.04926	3.4
119.08598	6.2
121.06516	19.5
121.10149	7.1
122.06841	4.7
123.04436	3.7
123.08069	14.6
123.11671	1.7
128.27495	1.7
128.98564	2.2
131.08582	16.8
133.06482	3.0
133.10161	8.3
134.99611	2.0
135.08060	4.1
135.11713	18.2
141.06979	5.5
143.08615	1.6
145.05502	1.7
145.06508	11.3
145.10112	6.2
146.62149	1.7
147.11679	3.8
149.09601	2.4
149.13287	10.3
153.67336	1.5
157.10146	3.0
158.99712	2.1
159.08020	3.0
159.11713	17.3
161.02998	1.5
169.10143	8.0
176.14398	2.2
177.12746	14.1
177.14545	3.4
187.11177	18.3
190.91570	1.6
195.12048	1.8
195.13748	9.7
205.12254	7.0
218.78017	1.6
219.01846	2.0
223.13239	11.6
234.10278	1.5
241.14368	24.3
246.86685	1.5
253.62962	3.3
254.14445	3.6
279.12106	4.5
279.15906	30.2
279.23019	1.9
297.13071	100.0
297.16931	60.7
297.20349	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	297.1699
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03947	26.6
55.01871	9.8
55.05513	10.1
56.45327	1.3
56.96541	2.2
57.03440	26.1
57.07072	1.6
63.95686	1.1
65.03936	3.9
66.78843	1.1
67.05508	71.8
69.03426	3.5
69.07071	10.8
70.06575	3.1
70.61636	1.8
70.61955	2.0
71.01398	1.1
71.04976	5.5
77.03926	1.8
79.05495	44.1
81.03422	65.4
81.07058	86.8
83.04988	14.1
83.08615	7.2
85.06542	5.8
87.04425	1.3
91.05479	26.6
92.05818	1.3
93.07050	52.6
95.01329	5.5
95.04379	1.4
95.04978	24.2
95.08610	50.8
97.06543	7.6
97.10174	1.4
99.08092	2.2
103.05478	2.2
105.07031	20.2
106.46734	1.2
107.04958	43.2
107.08601	18.1
109.02858	1.8
109.06538	7.6
109.10169	5.3
111.04395	1.8
111.08078	6.6
115.05470	2.2
116.98640	1.4
117.07022	20.3
119.04938	4.1
119.08579	8.4
121.06512	20.3
121.10173	6.6
122.06854	2.8
123.04436	7.2
123.08070	27.0
124.59640	1.1
127.92912	1.2
128.06288	1.5
129.07001	2.3
131.04935	3.0
131.08568	20.3
133.06506	4.0
133.10143	9.4
135.04132	1.3
135.08066	3.7
135.11697	31.3
141.06970	8.1
143.08554	4.4
145.06487	21.6
145.10138	8.6
147.11642	1.7
149.09630	3.2
149.13275	19.3
154.07803	3.4
159.08063	5.1
159.11694	35.2
163.11186	3.2
166.73114	1.1
169.03491	2.1
169.10127	15.5
176.14412	1.6
177.12759	26.0
177.14488	3.0
187.11188	33.0
195.13815	18.4
197.02998	1.4
205.12280	10.5
215.03993	3.4
223.13284	25.0
241.14352	33.7
279.15924	35.9
279.18842	2.4
279.23239	1.3
297.13351	6.7
297.17004	100.0
297.20404	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	297.1697
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03951	30.7
55.01873	10.6
55.05513	12.7
56.96550	5.0
57.03176	2.7
57.03435	28.1
57.07056	2.0
61.33933	1.7
65.03943	2.4
67.05506	87.3
69.03417	4.9
69.07066	14.4
71.01351	2.0
71.04978	7.4
71.38354	2.5
73.02915	2.2
79.05496	54.3
81.03422	82.7
81.07056	99.5
83.04982	16.6
83.08606	7.2
85.02908	3.5
85.06528	6.4
91.05484	28.7
93.07046	70.5
95.01313	4.4
95.04967	30.0
95.08611	61.2
97.06535	11.4
98.97570	7.0
105.07040	23.8
107.04961	55.2
107.08605	24.8
109.06533	9.4
109.10115	7.8
111.08046	8.8
115.05516	2.7
116.98615	2.8
117.07022	28.9
119.04961	4.8
119.08572	9.7
121.06509	19.9
121.10151	9.4
123.04413	6.5
123.08058	34.5
129.06973	3.8
131.04921	5.6
131.08585	22.7
133.06467	4.0
133.10109	14.2
135.08028	7.3
135.11699	40.9
141.06963	9.6
143.08556	4.5
145.06505	25.8
145.10121	11.1
147.11691	2.2
149.09599	2.5
149.13266	27.2
154.07727	3.3
156.14436	2.3
157.10196	2.7
159.08054	6.3
159.11699	44.8
169.10138	15.3
177.12756	33.5
187.11197	40.2
195.13797	22.0
205.12233	14.7
216.09322	2.8
223.13271	24.3
241.14343	51.4
274.97650	3.6
279.15927	36.3
292.98514	2.7
297.16940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1694
Annotation	Mairetolide D
Peak:m/z	Relative Intensity
53.03739	1.6
53.03950	16.4
55.01862	6.6
55.05504	6.0
56.96559	3.0
57.03440	11.6
57.07086	1.7
65.03941	3.2
66.50573	1.4
67.05507	45.4
68.77974	1.4
69.03401	3.4
69.07076	7.4
71.04993	2.5
71.56670	2.3
71.78017	1.4
73.02915	1.5
79.05495	24.7
81.03421	33.2
81.07062	47.9
83.04977	5.7
83.08614	4.9
85.06542	3.9
91.05493	17.2
91.10925	1.7
93.07045	33.9
95.01344	2.4
95.04974	13.7
95.08611	29.1
97.06530	5.8
97.11222	1.5
98.97609	4.3
105.07035	14.1
107.04964	19.1
107.08591	15.1
109.06519	2.9
109.10163	5.3
111.04416	1.9
111.08084	5.7
116.98667	2.1
117.07019	11.0
117.16216	1.5
119.04992	1.7
119.08591	5.4
121.06513	7.3
121.10148	6.6
123.04476	3.6
123.08072	17.1
123.11736	1.9
128.06244	2.1
129.06960	2.0
131.08585	11.3
133.10112	8.2
135.08067	2.6
135.11687	16.2
141.06998	5.8
143.08556	3.3
145.06482	12.6
145.10132	7.3
147.11658	2.3
149.13286	10.9
155.08478	1.5
157.10014	1.5
159.08064	3.9
159.11697	18.6
169.10136	6.0
177.12775	13.9
187.11180	17.9
187.14825	3.3
195.13841	8.8
205.12234	6.6
205.15866	2.2
223.13272	11.3
241.11107	2.7
241.14359	22.4
265.14072	14.8
279.15933	29.6
285.10092	3.1
297.11438	3.1
297.16891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68411	0.4
67.05488	0.6
70.60978	0.7
79.05466	0.6
81.07052	0.4
93.07046	0.5
100.53595	0.4
116.92641	0.4
127.23444	0.4
129.78484	0.4
148.04265	0.7
167.66643	0.4
184.86902	0.4
297.16733	100.0
298.16971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.7
55.01857	3.6
55.05525	6.5
56.96560	4.0
57.03442	11.0
65.03948	1.9
67.05510	32.1
69.03410	2.4
69.07051	5.0
69.80756	6.8
71.04987	3.1
79.05496	19.1
81.02985	2.2
81.03422	24.6
81.06585	2.3
81.07061	39.7
83.04980	6.2
83.08603	3.6
85.06554	2.4
91.05482	13.0
93.07047	25.2
95.01337	2.5
95.04980	13.2
95.08051	1.6
95.08615	19.5
97.06531	5.4
98.97556	2.7
103.05550	1.4
105.07044	9.2
107.04288	1.6
107.04962	18.1
107.08615	8.1
109.06506	3.3
109.10123	4.0
109.67354	1.1
111.04391	1.6
111.08077	3.9
113.06017	1.3
117.07031	8.4
119.04942	1.7
119.08591	4.5
121.06515	5.9
121.10126	4.0
121.98921	1.2
123.04440	1.5
123.08063	10.0
131.04819	1.3
131.08586	9.8
133.06473	3.9
133.10138	5.8
135.08070	2.7
135.11687	13.1
141.06978	4.1
142.49654	1.2
143.08566	1.9
143.19977	1.3
145.06493	8.8
145.10100	3.5
147.11713	1.3
149.09648	2.1
149.13286	6.8
157.10146	1.5
159.08044	2.5
159.11687	12.3
161.09621	1.2
165.12849	1.4
169.10133	5.2
170.47366	1.2
177.12766	11.3
187.11163	12.1
187.14766	2.0
195.13867	8.1
205.12244	5.3
223.13260	6.8
241.11739	1.7
241.14368	16.9
259.12146	2.1
265.14154	21.9
279.15991	19.1
285.10013	2.5
288.86346	1.2
297.11359	4.9
297.16812	100.0
307.56793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.79850	0.6
55.01867	1.8
55.05509	3.6
56.96561	1.8
57.03440	3.1
61.37454	0.6
65.03932	0.8
67.05180	0.7
67.05511	10.3
69.03430	2.7
69.07059	2.7
70.06590	3.0
71.04987	1.8
71.06899	0.8
71.08623	0.8
71.26575	1.0
79.05498	6.6
81.03413	4.6
81.07059	11.0
83.04986	2.1
83.08615	2.8
84.08079	0.8
85.02887	1.3
91.05482	5.4
93.07050	9.5
95.04981	5.9
95.08607	6.0
97.06528	2.5
97.10188	1.5
98.97593	1.7
99.04454	0.8
105.07037	3.9
107.04967	2.6
107.08585	3.8
109.06543	1.2
109.10163	3.0
111.08136	0.8
116.12761	0.7
117.07061	2.3
119.08611	2.0
121.06512	7.9
121.10149	2.5
122.06839	2.4
123.04456	1.3
123.08062	2.2
123.11742	1.3
125.05939	0.6
125.09638	1.1
127.03863	0.7
129.07011	0.7
131.08556	2.4
133.10144	2.1
135.08066	1.1
135.11725	2.2
145.06456	0.9
145.10126	1.4
147.11691	0.7
149.13312	1.9
153.03903	0.7
159.08057	1.1
159.11697	2.9
161.09641	0.7
169.03529	1.6
169.10178	1.0
171.05096	1.0
176.14342	2.6
177.12773	2.1
177.14703	2.7
187.11246	2.2
195.13895	1.0
197.02965	1.5
199.08344	0.6
205.12239	1.7
215.04137	2.1
223.13356	3.3
235.12903	0.7
241.14388	1.5
256.06744	1.0
265.14432	1.7
274.07935	1.0
279.12015	1.9
279.15720	2.0
279.23279	1.1
292.08701	0.9
297.13141	100.0
297.16806	9.8
297.20374	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	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
50.52227	0.2
51.02380	0.4
53.03947	2.0
53.22025	0.2
55.01862	0.7
55.05509	0.8
56.96563	1.8
57.03452	0.3
58.54884	0.2
65.03954	0.2
67.05504	0.8
68.05844	0.2
69.03413	1.2
69.07075	1.1
70.06591	1.1
70.88097	0.3
71.04976	0.3
71.08626	0.6
77.03928	0.5
79.05494	1.1
80.05846	0.3
80.06586	0.2
81.03435	0.4
81.07057	0.9
84.96043	0.4
85.02905	0.8
85.06551	0.3
85.97784	0.2
86.06075	0.6
86.65086	0.2
87.04475	0.6
89.19492	0.2
90.57751	0.2
91.05486	10.0
93.07047	18.2
94.07390	0.3
95.04987	2.2
95.08613	1.0
96.08964	0.4
97.02902	0.6
97.06534	0.9
97.10098	0.2
98.97594	2.2
99.08097	0.7
102.04709	0.3
103.05470	10.8
105.04541	1.4
105.07045	0.3
107.08583	0.5
109.10160	0.6
110.97559	0.5
112.99154	0.3
115.03933	0.5
116.98621	0.7
118.06542	3.8
119.04955	0.2
121.06509	98.3
122.10467	0.3
124.99136	0.5
128.98619	0.2
132.08066	1.4
133.08916	1.2
134.09613	0.3
134.99660	0.3
135.11668	0.5
136.12062	0.3
143.00165	0.7
146.09583	1.3
155.14366	0.3
158.99690	0.6
161.01227	0.4
163.03891	0.5
170.99596	0.3
171.45493	0.2
173.01225	0.3
176.14354	63.8
177.00703	0.5
196.08597	0.9
201.00644	0.4
215.07121	0.3
216.07368	0.3
217.09143	0.8
219.01801	0.5
229.11177	0.3
230.08121	1.3
230.58473	0.3
239.08589	0.7
250.59445	0.5
259.09665	0.4
260.10031	0.5
260.16440	0.3
260.20819	0.3
261.02567	0.3
262.10715	0.8
267.03705	0.4
273.10059	0.4
274.10516	0.3
278.17593	0.3
278.21890	0.9
283.11130	0.3
296.20111	100.0
297.20401	0.6
307.19293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.2
56.96572	47.5
57.03423	14.2
57.07076	18.7
61.02913	9.2
67.05515	46.0
69.03429	7.7
69.07054	29.8
71.08629	9.0
71.57098	10.2
79.05489	30.5
81.03404	9.4
81.07056	39.7
83.04973	10.7
83.08601	11.4
85.02903	8.5
88.24895	6.9
91.05464	28.7
93.07030	23.9
95.04954	12.5
95.08593	24.6
97.06531	11.1
97.10141	13.3
98.97583	30.7
99.08101	8.4
105.06997	22.7
107.08578	26.1
109.06521	9.0
109.10141	23.3
110.97559	47.1
116.98599	15.0
119.08573	12.4
121.10133	19.7
123.08114	10.1
128.98628	47.3
131.08525	11.5
133.10115	21.2
146.99641	19.2
159.11653	11.9
184.16959	9.8
187.14757	11.1
196.13248	9.7
206.24556	7.5
212.16435	15.0
213.09727	14.0
216.09171	34.0
243.09041	12.1
255.09012	11.4
257.10648	12.0
269.10550	10.0
274.97470	12.7
279.19510	9.2
292.98508	11.3
297.10269	100.0
297.16562	74.6
297.21820	9.3
297.25290	13.6
315.11020	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
55.05508	1.1
56.96578	1.5
57.03425	0.4
63.06440	0.3
67.05507	14.4
69.07070	6.5
69.07413	0.6
70.06592	3.6
71.04995	4.6
74.69923	0.3
79.05496	1.3
80.05028	0.4
81.07056	5.1
83.08611	0.6
87.04454	0.4
89.06171	0.4
91.05485	0.9
93.07073	0.9
93.75104	0.3
95.08604	1.7
96.08131	2.9
96.08939	0.4
97.02898	0.4
97.06520	1.0
98.06864	0.4
98.97597	0.6
107.08613	1.1
109.10160	100.0
110.10480	0.5
114.05622	0.3
119.01884	0.3
120.08100	0.5
121.06516	0.5
122.09689	0.7
123.08057	0.4
124.99132	0.5
127.11197	15.6
135.07991	0.3
137.09647	0.9
140.07088	0.5
140.82330	0.3
142.08655	4.6
143.00183	0.7
147.04410	1.1
155.10712	1.0
161.01196	0.5
163.03952	0.6
164.04271	0.4
166.12323	0.6
167.15848	0.3
168.06566	0.5
173.11758	0.7
182.11742	0.3
184.28433	0.3
216.05347	0.4
236.16518	0.6
238.14409	1.0
250.18098	0.5
259.09543	0.5
260.09937	0.4
267.03952	0.4
273.10162	0.9
278.17529	2.8
278.21194	2.3
296.18576	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.93761	2.9
55.05513	50.0
56.26477	2.9
57.03432	3.4
57.07085	31.4
60.44240	2.9
65.03912	3.6
67.05503	57.8
69.06731	6.2
69.07071	93.3
70.80757	10.0
71.04995	4.2
71.08621	14.4
75.14722	3.4
79.05496	23.0
81.07060	88.1
81.81143	3.0
83.04975	7.0
83.08615	74.4
85.06544	5.2
85.10178	4.6
91.05480	24.2
92.43031	3.2
93.07040	37.8
95.04942	3.4
95.08610	89.0
97.06553	16.5
97.10170	58.1
99.08084	6.1
105.07033	28.8
107.08595	35.4
109.10151	53.0
111.08060	10.1
111.11711	24.4
119.08585	28.4
121.10148	30.9
123.08083	5.7
123.11712	30.3
125.09618	7.4
125.13251	9.6
129.09164	7.4
133.10143	34.4
135.11705	23.1
137.09602	8.4
137.13232	8.3
139.11174	12.0
140.28856	3.5
143.10649	4.5
144.72447	3.2
147.11696	22.3
147.73592	3.1
149.13274	24.9
151.11174	10.8
151.14822	6.2
153.12737	4.7
160.72235	3.7
161.13281	20.7
163.14810	15.0
165.12762	14.9
165.16397	10.6
167.14311	9.0
175.14847	24.5
179.14236	8.8
179.17952	10.6
181.15901	3.9
189.16357	10.9
189.68384	3.2
193.15860	4.6
198.67168	3.5
198.85471	3.1
199.16974	5.8
203.17964	6.3
207.17424	7.5
219.21013	4.5
221.22716	9.3
223.21707	13.1
245.22664	92.5
263.23697	100.0
277.21478	5.5
284.59616	4.3
295.17029	8.0
295.26227	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	296.1857
Annotation	Serratanidine
Peak:m/z	Relative Intensity
51.98832	0.5
55.01876	0.6
55.05516	7.3
56.96527	0.6
57.03407	0.5
58.34670	0.4
61.07742	0.4
66.34453	0.4
67.05507	1.1
68.05035	3.2
68.05829	0.4
69.03439	1.1
69.07061	1.2
70.06562	0.6
71.26767	1.0
71.96331	0.5
79.05502	1.9
80.05021	15.2
81.03396	0.4
81.07058	1.9
82.06562	0.6
83.08623	1.6
87.04471	13.1
91.05463	0.9
93.07049	1.1
94.06583	1.1
97.10181	1.2
99.08102	0.5
105.07033	0.9
106.06570	0.7
107.08621	1.0
108.08121	1.0
118.06555	1.6
120.08104	2.2
133.10146	0.5
136.06537	0.5
136.07578	13.2
148.07581	84.2
149.08351	0.4
154.08621	0.9
162.09145	2.9
166.08630	7.6
174.09129	0.8
174.12849	1.3
176.10739	0.9
188.10777	1.0
192.13844	2.6
200.10735	0.8
210.14987	1.3
232.17023	1.1
237.14848	1.3
242.15416	3.4
260.16483	41.5
264.16849	0.4
278.17554	7.6
296.18576	100.0
297.18869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.50048	1.0
52.39735	1.0
53.03949	6.4
55.01878	10.8
55.05267	1.7
55.05516	26.4
57.03435	3.8
57.07075	6.1
57.10300	1.1
61.67497	1.2
65.03939	1.3
66.07385	1.1
67.05508	52.0
69.03431	3.8
69.07071	22.1
69.86545	4.4
71.04998	6.2
71.08237	1.1
71.08634	21.9
79.05496	31.0
79.05965	1.5
81.03426	22.9
81.07062	36.4
83.04991	9.5
83.08629	9.5
85.06544	2.6
91.05487	19.4
93.07047	37.4
95.04975	20.2
95.08610	32.3
97.06528	10.5
97.10178	9.4
99.08096	11.9
105.07031	14.9
107.04948	2.5
107.08601	17.8
108.94695	1.3
109.06547	5.6
109.10169	19.0
111.08084	3.3
113.09621	2.2
117.07040	4.4
119.08582	13.5
121.06594	2.0
121.10148	17.5
123.08093	4.8
123.11698	3.8
125.09621	7.2
128.06168	1.2
129.07037	4.2
131.08540	5.5
133.10133	11.9
135.08057	1.4
135.11707	9.2
137.06009	1.2
137.09612	15.2
137.13185	1.1
139.11195	5.8
141.12778	1.4
142.07774	1.3
143.08540	2.7
145.10162	5.5
147.11722	8.4
149.09636	3.1
149.13315	5.1
150.66692	1.0
151.11179	18.4
153.12833	2.1
157.10149	3.5
158.10925	1.5
159.11731	4.2
161.09532	1.9
161.13205	6.4
163.11191	4.4
163.14819	1.7
165.12779	5.3
167.10622	1.3
171.11743	4.4
173.13255	5.7
174.38789	1.2
175.11264	1.7
175.14944	1.9
177.84319	1.1
179.14314	4.8
185.13313	3.7
189.11226	3.2
191.14299	2.0
193.15836	1.8
199.14893	2.9
203.12733	1.4
207.13786	1.1
209.13359	1.2
211.14871	1.3
217.19415	1.5
221.15453	4.7
231.20999	2.5
240.93512	1.2
241.19530	2.9
248.99356	1.1
249.22093	5.3
259.20560	4.2
277.18500	1.6
277.21643	87.2
295.22723	100.0
296.23364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.72758	2.1
51.68122	1.8
53.03949	3.0
55.01621	3.8
55.01876	43.3
55.05515	30.9
57.03442	2.9
57.07072	6.9
57.92180	1.7
67.05515	38.9
69.03430	2.1
69.07074	17.1
70.61261	5.4
71.04988	2.9
71.08653	12.3
73.27827	1.7
74.73920	1.8
79.05504	21.3
81.03413	6.5
81.07062	40.2
83.04974	12.9
83.08628	18.3
85.06551	3.2
85.10178	8.5
86.89104	2.0
91.05486	22.7
93.07053	30.8
95.04973	11.6
95.08612	30.0
97.06549	15.3
97.10181	3.9
99.08096	14.1
105.07043	19.3
107.04949	3.6
107.08635	15.6
109.06529	6.7
109.10151	13.8
111.08089	56.8
113.09653	13.5
113.67345	2.0
117.07053	2.2
119.08591	10.6
121.10134	11.6
123.08083	3.6
123.11707	4.6
125.09622	4.0
131.08562	4.6
133.10164	18.8
135.08064	2.1
135.11711	8.7
135.27446	1.9
137.09599	2.2
139.11143	4.2
145.10162	2.3
147.11719	19.2
149.09628	7.0
149.13251	7.1
151.11174	19.2
153.12801	4.6
157.10135	4.7
161.13266	7.9
163.11206	5.6
165.12776	18.0
171.11703	4.0
171.80487	1.7
175.11293	3.6
175.14799	5.4
179.14336	9.8
189.12839	3.2
193.12386	2.4
207.13802	2.0
221.15398	2.2
229.28552	1.9
231.21074	3.1
241.19533	3.9
249.22267	4.6
255.47002	2.0
259.20676	12.5
261.93155	1.8
277.21646	100.0
295.22708	61.2
310.55554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.09211	1.4
51.99554	1.6
53.03934	4.9
55.01865	4.0
55.05269	2.1
55.05515	25.2
57.03435	3.9
57.07069	5.6
67.05508	44.9
69.03418	4.1
69.07066	21.2
69.79332	1.6
71.04987	4.4
71.07381	3.6
71.07742	2.2
71.08636	33.8
77.75771	1.2
79.05495	27.9
81.03426	12.8
81.07058	31.6
83.04979	9.3
83.08637	10.7
83.46398	1.5
85.06522	3.5
86.09700	5.4
91.05491	14.7
93.07053	30.8
95.04969	16.4
95.08616	25.9
97.06522	5.9
97.10165	10.9
99.08091	26.1
102.19408	1.3
105.07038	13.6
107.04954	3.3
107.08605	14.2
109.06506	3.0
109.10162	14.1
110.00105	1.4
111.08086	3.9
117.07000	3.9
119.08566	9.6
121.06510	1.4
121.10148	12.8
123.08137	2.1
123.11739	2.3
125.00014	3.9
125.09643	6.5
129.07022	3.3
131.08571	4.3
133.10135	7.3
135.11705	9.1
137.09592	7.7
139.11201	2.7
143.08447	1.5
145.10114	4.1
147.11717	5.7
149.09624	1.6
149.13268	4.4
149.80042	1.4
151.11183	24.2
153.12776	2.4
157.10089	1.9
159.11763	2.1
161.09605	1.9
161.13266	10.9
163.11203	9.1
163.14780	1.4
165.12811	2.0
171.11676	1.8
173.13249	3.1
175.14862	3.5
179.14290	9.9
184.07355	12.2
185.13239	2.4
189.11186	5.3
189.12759	2.0
200.29303	1.5
221.15440	3.8
231.20973	1.9
235.17059	1.5
238.98526	1.5
239.78600	1.4
241.19557	4.3
249.22115	2.2
254.70444	1.5
259.20621	5.3
264.71582	1.5
277.21637	76.6
295.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	12.7
55.01862	6.3
55.05515	16.9
57.07066	4.5
66.49647	1.4
67.05509	42.6
69.03426	2.3
69.06730	1.9
69.07078	30.4
69.91663	6.4
71.08634	4.4
79.05499	27.7
81.03423	46.7
81.07066	38.7
83.04993	13.4
83.08630	9.7
85.10162	2.3
91.05482	16.7
93.07047	33.0
95.04976	29.5
95.08604	18.1
97.06526	4.6
97.10148	6.3
99.08086	4.0
105.07026	15.1
107.07439	1.5
107.08607	16.8
109.06517	4.5
109.10181	11.2
111.08082	3.7
117.07019	2.5
119.08589	10.8
121.10143	5.4
123.08084	2.1
123.11671	5.0
125.09625	4.8
131.08597	3.0
133.10153	15.0
135.08083	2.4
135.11713	6.3
137.13181	1.8
143.08627	1.8
145.10141	2.7
147.08006	1.9
147.11688	11.9
149.09622	2.0
149.13211	5.1
151.11180	38.8
153.09103	4.0
157.10179	1.8
161.09604	1.5
161.13231	8.1
163.14871	3.8
165.12758	8.9
171.11690	3.6
173.13254	2.4
175.14828	3.2
177.12691	2.7
179.14264	4.6
185.13278	2.3
189.12747	3.3
193.12306	2.8
207.13824	3.7
217.19603	2.1
231.21115	10.8
241.19461	4.9
249.22220	4.8
259.20587	5.8
263.12982	1.8
277.21634	100.0
283.42691	1.7
295.22662	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	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.01225	2.8
52.20689	2.4
53.03963	2.8
55.01628	3.5
55.01876	44.3
55.05516	45.3
57.03460	4.1
57.07073	8.2
67.05508	45.1
69.07070	57.0
70.73909	5.4
70.74270	3.0
71.05000	4.7
71.08624	5.4
76.15094	2.3
79.05495	32.8
81.03407	3.3
81.06590	4.2
81.07060	62.0
83.04984	8.5
83.08627	40.6
85.06541	3.7
87.84071	2.2
91.05489	30.4
93.07058	41.5
95.04991	6.8
95.08618	40.0
97.06540	67.1
97.10163	13.4
99.08098	7.1
105.07038	22.8
107.08604	31.2
109.06507	6.2
109.10171	23.4
111.08088	13.0
117.07053	2.9
119.08590	20.6
121.10147	25.7
123.08092	5.8
123.11720	11.2
125.09655	7.5
129.07002	4.6
131.08569	7.4
133.10147	16.9
135.11702	23.1
138.96417	4.0
139.11169	6.3
143.08612	3.3
145.10138	8.7
147.11708	34.2
149.09605	2.8
149.13277	12.5
151.11221	6.0
155.10689	3.0
156.97476	4.5
157.10263	4.0
159.11746	5.5
161.13275	13.8
163.11176	7.2
163.14804	5.3
165.12787	16.5
171.11659	5.5
173.13367	3.9
175.14824	5.4
179.14362	7.3
185.13313	3.2
187.14758	3.1
189.11273	2.4
189.12840	3.9
191.74179	2.6
193.90376	2.8
207.13907	3.8
213.00139	11.0
213.48329	2.7
214.00160	5.7
214.99846	4.0
220.40547	2.4
221.15359	2.9
231.20981	4.5
241.19543	7.7
249.22169	10.4
259.20648	15.5
269.02634	3.3
270.02917	3.2
277.21658	100.0
295.22708	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03937	3.5
53.61818	1.8
54.61794	1.8
55.01867	5.4
55.05508	28.4
57.07040	3.6
61.23749	1.8
63.84265	2.2
65.03934	4.0
67.05507	59.4
69.07066	15.7
70.96487	4.4
71.04974	2.4
71.08282	3.0
71.08630	37.3
79.05489	41.9
81.03406	7.0
81.06580	3.8
81.07057	65.7
83.04981	8.4
83.08614	17.3
85.06535	4.4
91.05479	19.4
93.07043	58.0
95.04961	6.6
95.08602	38.0
97.06524	8.1
97.10164	14.9
99.08088	28.1
105.07034	15.3
107.04942	4.9
107.08597	40.4
109.06499	2.8
109.10158	39.1
111.08076	3.0
113.09603	3.6
117.07025	2.8
119.08582	16.2
121.10131	28.7
123.08108	3.8
123.11694	4.1
125.09618	12.1
129.06995	2.1
131.08595	3.3
133.10123	13.6
135.08067	2.1
135.11699	47.7
137.09648	3.5
139.11241	3.0
141.09090	3.7
145.10123	4.7
147.11690	4.6
149.13242	15.6
151.11180	11.6
153.12721	3.2
159.11714	4.0
161.13243	8.1
163.11150	5.4
163.14799	3.1
167.10649	3.5
171.10149	3.1
171.11607	2.9
175.14810	3.0
177.12787	2.5
179.14310	100.0
185.13252	2.6
189.11215	10.6
191.33693	1.7
195.13834	4.1
199.14870	2.3
207.13870	2.8
221.15381	2.3
235.16942	5.9
241.19528	4.0
259.20563	8.1
277.21613	66.3
295.22635	5.9
311.23117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	5.7
55.01872	31.0
55.05265	4.5
55.05511	58.3
57.03424	6.6
57.07080	14.4
59.04967	3.0
67.05505	100.0
68.98544	2.5
69.03430	4.4
69.07061	41.2
70.06587	2.9
71.04983	5.5
71.08629	24.3
77.38710	2.2
79.05498	50.4
81.03410	10.4
81.07056	83.4
83.04977	21.9
83.08617	38.9
85.06548	7.1
85.10163	4.4
91.05486	38.3
93.07042	73.1
95.04964	15.0
95.08604	56.7
97.06518	16.4
97.10177	22.3
98.21510	7.1
99.08080	18.5
105.07041	26.6
107.04974	3.0
107.08588	35.3
109.06519	8.7
109.10160	27.1
111.08089	36.2
113.09624	7.6
117.07011	11.1
117.07779	2.7
119.08592	22.4
121.06544	3.5
121.10133	28.3
123.08054	7.2
123.11692	9.5
125.09644	17.8
125.10417	3.1
129.06953	4.5
131.08566	11.9
133.10117	22.5
135.08035	3.3
135.11700	20.4
137.09630	6.5
139.11171	11.7
142.08597	3.8
143.08507	4.2
145.10081	5.3
147.11708	19.8
149.09598	8.7
149.13281	18.5
151.11195	24.1
153.12814	4.9
157.10184	5.4
159.11696	9.2
161.13231	15.5
163.11206	5.6
163.14819	5.1
165.12747	13.2
167.10670	3.8
171.11661	5.1
173.13167	3.0
175.11118	3.9
175.14844	6.9
177.12704	4.2
179.14325	9.5
181.12148	4.1
185.13274	6.1
189.11270	13.7
193.12238	6.3
195.13841	8.1
205.65318	3.3
221.15308	3.0
228.01653	2.6
231.20979	4.7
241.19466	4.8
249.22168	6.1
250.21680	3.3
259.20621	14.4
263.19772	2.7
277.21634	97.0
295.22696	79.0
296.22269	22.9
318.89331	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.51404	2.2
53.03940	5.0
55.01877	33.5
55.05511	61.7
57.03428	3.8
57.07061	6.5
60.56573	2.3
62.22552	2.1
67.05505	80.6
69.03438	4.5
69.07069	34.1
70.56532	4.8
70.56888	5.0
71.04984	4.9
71.08630	27.6
75.58683	2.1
79.05495	48.6
81.03420	11.4
81.06584	4.1
81.07059	74.6
83.04964	17.6
83.08624	32.4
85.06522	7.1
85.10197	2.5
85.37513	2.1
91.05470	41.2
93.07043	56.5
95.04950	17.2
95.08604	42.4
97.06534	16.1
97.10181	19.6
99.08089	27.3
102.51624	2.2
105.06377	3.6
105.07034	25.6
107.04962	3.7
107.08593	32.3
109.06503	6.4
109.10159	18.8
111.08080	41.4
111.11684	2.1
113.09633	7.4
117.07011	7.8
119.08584	18.9
121.06516	2.9
121.10129	18.2
123.08050	7.2
123.11706	8.7
125.09622	18.1
129.06992	4.3
131.08578	8.4
133.10126	27.1
135.08057	4.3
135.11665	22.7
137.09616	5.1
139.11174	12.4
143.08549	2.6
145.10126	6.5
146.63080	2.4
147.11696	14.6
149.09549	5.9
149.13248	12.4
151.11182	26.8
153.12680	2.3
157.10106	5.8
159.11679	6.8
161.09503	2.7
161.13203	15.1
163.11200	8.0
165.12791	12.9
171.10211	5.9
171.11670	4.3
175.11177	3.3
175.14793	6.8
177.12671	4.8
179.14326	11.3
185.13313	2.7
189.11186	6.4
189.12674	3.4
193.12296	6.6
193.15797	4.8
195.13783	6.5
207.13879	3.6
221.15340	4.2
231.20937	3.2
241.19464	6.2
249.22159	3.3
259.20624	13.4
277.21628	100.0
295.22668	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	3.7
55.01873	24.5
55.05511	37.9
57.03439	2.5
57.07061	5.9
67.05505	57.9
68.50381	1.2
69.03426	3.6
69.07066	22.9
69.80385	2.2
69.80795	4.6
71.04969	3.0
71.08633	34.0
73.56996	1.4
79.05493	33.5
81.03423	11.1
81.06586	2.6
81.07058	49.4
83.04974	12.8
83.08624	26.2
85.06535	6.7
85.10172	8.5
90.56111	1.3
91.05476	23.7
93.07045	34.4
93.40003	1.2
95.04976	9.6
95.08612	35.2
95.62519	1.1
97.06532	12.8
97.10167	14.2
99.08090	28.1
105.07032	20.7
107.05000	1.9
107.08598	22.6
109.06512	7.0
109.10152	14.1
111.08076	29.2
113.09648	11.6
117.07013	4.3
119.08585	15.4
121.06507	1.6
121.10136	18.5
123.08083	5.4
123.11696	6.0
125.09638	12.4
127.07545	1.7
127.11212	1.6
129.07005	3.7
131.08565	5.5
133.10139	19.3
135.11694	13.1
137.09613	4.1
137.13269	2.1
139.11183	6.8
143.08539	2.8
143.10699	1.4
145.10172	6.6
147.08052	1.9
147.11690	17.8
149.09615	6.0
149.13246	10.6
151.11191	30.0
153.09111	1.3
153.12735	2.8
157.10114	3.2
159.11694	2.2
161.13271	13.8
163.11182	10.6
163.14780	3.0
165.12762	24.1
171.10266	2.0
171.11682	4.3
173.13278	3.8
175.11192	3.4
175.14822	3.5
177.12782	2.6
179.14302	10.7
181.12325	1.8
185.13263	5.2
189.11234	7.0
189.12727	2.4
193.12253	2.6
195.13686	1.7
203.14163	1.9
207.13757	2.6
207.17581	1.6
221.15385	3.0
231.21040	3.7
235.17027	1.9
241.19490	5.9
249.22090	4.4
259.20535	14.0
263.59866	1.7
277.21619	100.0
294.48569	1.4
295.19299	2.6
295.22668	48.0
309.51883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01880	4.1
55.05509	22.6
57.03189	3.6
57.03439	51.5
57.07067	4.0
62.61780	2.4
67.05176	4.2
67.05506	57.5
69.07072	20.4
70.96574	5.7
71.04999	3.8
71.08630	3.7
79.05493	51.7
81.03447	3.2
81.07060	100.0
83.05003	3.5
83.08627	13.2
85.06548	13.4
91.05481	27.1
93.07050	54.2
95.08611	81.9
96.09946	2.5
96.12366	2.5
96.42015	2.4
97.06517	7.9
97.10168	6.2
99.08087	3.3
104.62101	3.0
105.07021	16.8
107.08601	39.9
109.06540	6.9
109.10156	33.6
111.08099	7.1
111.11755	3.1
113.29684	2.8
117.07005	8.4
119.08606	19.9
121.10141	42.5
123.08068	14.8
123.11663	9.0
125.09669	4.9
127.35856	3.0
131.08603	12.8
133.10153	20.4
135.07867	2.9
135.11705	34.2
137.09578	5.4
139.11212	3.6
145.10117	13.6
147.11668	12.2
149.09465	3.2
149.13280	15.8
151.11182	3.1
157.10188	3.3
157.36931	2.7
159.11696	14.0
161.13237	5.9
163.11153	4.6
163.14870	5.4
165.12752	4.4
171.11685	5.5
173.13269	5.4
175.14812	5.4
181.12209	3.7
185.13187	4.2
187.14813	21.0
201.16446	3.4
203.18045	4.7
205.15807	16.0
207.17471	6.2
209.82150	2.7
221.15575	3.2
221.18979	9.4
223.16948	12.7
237.18509	5.1
241.19492	10.4
259.20596	19.8
277.21625	74.2
295.22739	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1652
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
52.34171	0.2
52.47522	0.2
55.01880	0.3
56.05029	0.4
56.96571	0.6
57.03431	1.1
57.98750	0.2
61.02919	0.3
65.03922	0.2
67.05470	0.2
69.03428	1.7
69.07073	0.5
70.06594	0.4
70.59587	0.2
71.01333	0.2
71.38742	0.4
72.08157	0.9
73.02911	2.5
74.02448	0.5
74.06082	0.5
77.26960	0.2
78.82707	0.2
81.03414	0.3
81.07063	0.4
83.05016	0.3
84.04484	0.4
84.08155	1.2
85.02901	2.7
86.09708	5.2
86.10236	0.3
87.04465	0.2
91.05482	18.5
97.02888	2.4
98.97584	0.3
107.04969	0.7
109.02891	0.2
109.06527	0.5
115.03934	1.3
118.06534	0.6
119.04945	14.2
120.08115	0.8
121.06516	2.3
127.03885	0.7
129.10257	0.6
130.08658	0.9
132.10205	1.8
133.04956	0.5
136.07578	100.0
145.04945	0.8
147.04395	0.7
166.08699	0.2
168.06508	0.2
172.24539	0.2
184.33446	0.2
195.54056	0.2
236.12877	0.3
244.08923	0.2
249.02708	0.2
249.15848	1.2
249.58652	0.4
250.14381	0.6
253.16156	0.3
255.58595	0.5
256.59396	0.2
278.13916	1.3
295.16559	8.0
305.16599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
55.05515	0.6
55.13076	0.3
56.05036	1.6
56.96564	2.1
57.03444	1.0
61.02925	0.9
67.05517	0.5
68.05829	0.4
69.03411	2.0
69.07080	1.0
70.06591	0.8
70.65033	1.1
71.04974	0.3
72.08157	0.8
72.23307	0.3
73.02919	1.6
76.25275	0.4
79.05508	1.0
81.03401	0.5
81.07043	0.6
84.04507	32.4
84.08156	1.3
85.02425	0.6
85.02912	9.6
86.09713	1.6
87.08095	1.7
91.05485	1.6
93.07032	1.0
95.08606	0.5
97.02899	2.3
98.97594	0.5
102.05551	0.9
103.03942	0.6
103.05476	6.9
107.04967	2.9
109.02888	0.8
115.03921	0.5
119.04914	0.8
120.08112	100.0
121.06531	0.4
121.08440	0.4
124.99107	2.1
127.03927	1.9
129.10248	0.8
130.05014	5.6
131.04933	4.5
133.04974	0.3
136.07600	2.2
143.00180	2.2
145.04955	2.5
147.04361	1.1
148.06021	0.3
149.06015	3.0
150.07793	0.7
161.01222	1.0
166.08647	47.1
184.07640	0.3
186.09146	8.1
210.57643	0.4
231.01849	0.4
232.09718	4.9
236.12679	0.4
249.02817	4.2
267.03931	2.3
272.04349	0.8
277.15292	0.5
278.10248	6.1
295.07895	0.6
295.12939	9.0
295.16528	0.9
296.18524	0.5
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
55.01866	1.9
55.05519	2.3
56.05046	1.0
56.96565	2.6
57.03440	48.5
58.06600	1.7
59.04992	1.7
60.04524	1.4
61.02929	14.6
67.05507	1.8
69.03433	46.1
69.07073	2.0
69.30278	6.7
70.06586	2.1
71.01360	8.0
71.05003	2.3
72.08168	1.1
73.02921	100.0
74.06084	1.3
78.06463	0.7
79.05500	1.0
81.03403	3.7
81.07072	1.5
84.08171	2.7
85.02911	58.5
86.09718	3.8
87.04478	5.7
87.97593	0.7
91.03970	2.2
91.05482	5.8
93.07061	1.3
95.04985	5.3
95.08617	1.7
97.02895	57.1
97.10172	3.0
98.97601	11.8
99.04471	1.4
102.05499	0.9
103.03952	2.6
103.05500	1.0
105.07030	1.5
107.08607	1.1
109.02896	2.8
110.97668	0.9
115.03935	67.1
115.11237	1.0
116.07119	1.5
116.98667	4.3
119.03593	2.1
119.04973	2.7
119.08629	1.2
120.08115	12.1
121.10122	1.3
127.03920	14.2
129.10275	1.2
131.00111	0.9
133.04980	19.3
133.10141	1.4
134.08136	7.1
135.08101	2.6
136.05153	1.9
136.06210	32.6
136.07599	16.2
137.04590	1.4
137.06023	0.7
145.04968	15.1
147.04451	1.9
150.07796	2.3
158.99666	5.5
159.57182	0.9
162.04126	13.9
162.05383	1.2
163.06018	4.3
166.08652	3.0
177.00757	3.9
179.37238	0.8
193.05011	1.0
200.02510	0.9
214.08635	1.6
219.01729	5.2
223.06085	2.2
225.59741	0.8
234.58153	1.1
241.07167	2.3
249.05524	0.9
249.12387	1.8
253.16559	0.8
259.08264	1.3
277.15506	2.1
294.60461	0.9
295.05975	1.9
295.11102	2.4
295.16443	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03944	0.9
54.30672	0.7
55.01871	2.4
55.05511	2.5
56.05035	2.4
56.96569	3.7
57.03440	49.5
57.07079	1.3
58.06596	0.8
59.05005	2.9
60.04523	1.7
61.02929	14.5
67.05505	3.6
68.05047	0.8
69.03433	52.5
69.07072	3.1
70.06605	3.7
71.01359	9.4
71.05004	1.4
71.18184	1.8
72.08168	2.9
73.02921	100.0
74.06079	3.2
76.14738	0.7
79.05515	1.4
79.40770	0.7
80.94841	0.8
81.03423	3.7
81.07079	2.9
83.04990	1.0
83.08624	1.0
84.04497	3.3
84.08148	6.0
85.02911	62.9
86.09708	9.2
87.04479	6.8
91.03979	1.6
91.05485	14.0
93.07055	1.8
95.04987	2.3
95.08640	2.0
97.02897	61.1
97.06530	1.5
97.10179	2.6
98.06093	1.0
98.97583	6.4
99.04462	2.6
102.05579	1.6
103.03960	1.8
103.05505	2.4
105.07030	1.5
107.05019	0.8
107.08607	1.9
109.02907	4.4
109.10193	0.9
109.13764	0.7
110.07178	0.8
111.98586	0.6
115.03936	67.4
115.11224	0.8
116.07116	2.3
116.98634	2.7
119.03564	1.8
119.04949	9.8
119.08588	1.0
120.05272	0.8
120.08116	30.3
121.06563	1.3
121.10181	1.4
121.12470	0.7
124.50175	0.6
124.99129	0.9
127.03927	15.5
128.98695	0.8
129.10262	3.5
130.05034	0.8
130.08743	0.7
132.10216	1.1
133.04973	21.0
133.10069	1.4
134.08145	8.8
135.08055	0.8
136.05157	1.7
136.06224	32.5
136.07610	48.7
136.92059	0.6
137.04588	1.3
143.00188	1.2
145.04973	16.5
146.12492	0.7
147.04443	2.6
147.11472	1.1
148.04834	1.0
148.06023	1.2
149.05969	1.0
150.07787	2.1
151.03828	0.8
157.04990	0.9
157.36356	0.7
158.99701	2.6
161.01329	0.8
162.04121	16.6
162.05368	1.1
163.06044	3.1
166.08641	3.6
167.03517	0.7
174.57892	0.8
177.00713	1.6
177.05582	1.1
189.00848	0.9
193.05048	1.3
203.18214	0.9
205.08163	0.9
211.06241	0.9
213.57236	1.5
214.08659	1.1
219.01825	2.1
223.06126	2.4
229.07924	0.8
234.58176	2.1
237.02850	1.3
241.07108	3.3
249.03134	0.9
249.12386	2.2
249.16103	1.7
249.58736	1.4
250.10907	1.2
253.22771	0.9
255.58740	2.3
259.08295	1.3
277.15747	1.5
277.21643	1.3
285.59616	2.1
293.09210	0.9
294.60083	1.3
295.06082	1.9
295.11621	3.4
295.16656	9.0
296.18756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05493	1.1
56.05024	2.6
56.96570	5.4
57.03439	27.8
59.04969	1.0
61.02925	8.6
61.08726	0.7
67.05503	2.4
69.03435	30.1
69.07068	3.5
69.52564	5.2
70.06587	2.8
71.01366	5.2
71.04987	1.3
72.08156	2.2
73.02921	55.4
74.02422	0.8
74.06075	1.1
79.05486	1.9
81.03413	2.1
81.07046	2.6
83.08609	1.3
84.04507	34.0
84.08142	5.0
84.96023	0.8
85.02910	37.8
86.09709	11.9
87.04465	2.6
87.08056	1.3
88.03983	1.0
91.03957	1.1
91.05485	21.0
93.07050	2.6
95.05037	0.8
95.08611	1.7
97.02897	34.1
97.10176	0.8
98.21542	1.2
98.97575	2.4
99.04500	1.1
99.08111	0.6
102.05544	1.2
103.03951	1.6
103.05466	5.8
105.07052	1.2
107.04972	3.5
107.08610	0.8
109.02878	2.7
110.97562	1.0
113.51179	0.7
115.03938	36.5
116.98621	0.8
119.04955	14.7
120.08112	100.0
121.06503	3.0
121.08451	1.2
124.99125	2.0
127.03919	9.3
129.10257	2.4
130.05022	5.3
130.06573	1.0
130.08676	0.7
131.04933	4.8
132.10225	2.7
133.04968	11.9
136.07582	90.2
137.06038	0.7
143.00197	4.6
145.04980	8.9
145.94209	0.7
147.04401	3.3
149.06013	2.9
150.07756	0.8
161.01248	4.0
163.03899	0.7
163.06033	3.0
166.08650	48.3
167.07056	2.0
168.07465	1.1
186.09160	7.3
214.04028	0.7
223.06004	1.7
232.09703	5.9
237.02777	1.1
241.06979	1.3
249.02840	5.8
249.16008	2.9
259.08276	1.1
263.96573	0.8
267.03989	5.0
272.04361	1.8
278.10312	5.7
278.13705	1.3
294.56982	4.3
295.00974	0.7
295.07471	3.2
295.12958	7.5
295.16599	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	294.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94547	2.6
53.03957	3.2
54.09993	2.7
55.01861	7.7
55.05268	6.2
55.05518	97.1
56.96571	5.9
57.03443	6.0
59.05001	9.5
67.05512	97.5
69.03416	9.7
69.07077	19.8
71.05003	8.5
71.08109	6.4
71.35279	2.6
73.02917	6.8
79.05498	26.7
80.70703	3.0
81.03426	6.3
81.07069	45.7
82.07401	4.1
83.05005	5.8
83.08627	44.4
85.02927	25.7
85.06562	5.6
87.04486	17.8
91.05488	10.9
93.07059	12.8
95.04975	3.4
95.08601	26.5
96.08946	3.2
97.06535	3.8
97.10179	96.5
98.97600	4.6
105.07020	5.0
107.08604	23.7
108.08981	2.8
109.10168	100.0
110.10530	4.2
111.08065	5.4
111.87051	2.7
119.08596	9.2
121.10137	6.9
123.11799	2.7
125.09641	98.2
133.10164	4.1
135.11708	7.1
137.09633	5.8
143.10632	5.1
145.10155	6.9
153.12762	3.9
155.10689	43.9
157.12257	4.4
163.03926	3.1
163.11205	11.5
173.11765	94.0
173.72241	3.1
187.13278	20.7
227.12856	3.6
250.51877	3.1
271.08539	9.5
272.25110	2.9
278.36374	2.9
289.09531	7.3
294.28790	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	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01869	6.9
55.05513	79.2
56.96560	8.1
57.03419	6.7
58.95022	2.2
59.04985	4.1
61.21215	2.4
64.90081	2.4
67.05505	73.7
69.03419	8.6
69.07074	18.7
71.04978	5.2
71.29752	4.4
79.05487	27.1
81.07062	35.4
82.07376	3.8
83.04985	5.3
83.08620	34.8
84.51424	2.2
85.02905	36.3
85.06532	2.6
87.04462	18.0
87.26285	2.2
90.29704	2.4
91.05481	12.6
93.07035	11.2
94.07346	3.3
95.04973	3.9
95.08624	20.9
96.08962	2.6
97.02882	2.3
97.06536	4.0
97.10176	76.9
98.97590	10.7
103.03944	4.2
105.07013	8.6
107.08599	24.6
109.06501	2.8
109.10160	56.6
111.08076	3.7
116.98607	3.1
117.07016	3.1
119.04975	3.3
119.08585	10.0
120.08859	3.1
121.10142	2.9
123.08044	3.5
125.09636	100.0
129.06944	3.1
134.10439	3.7
135.08089	3.1
135.11613	4.0
137.09621	5.5
143.10680	7.5
145.10083	4.5
147.04395	4.8
155.10684	17.1
157.12247	3.6
157.36816	2.4
163.11154	4.6
173.11737	51.6
193.12225	2.7
199.13281	6.9
220.17917	2.7
258.19330	3.9
276.20374	13.0
281.71896	2.4
284.63089	3.5
293.63504	5.3
294.13968	3.0
294.21365	7.7
294.24384	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	294.1449
Annotation	Gln Phe
Peak:m/z	Relative Intensity
52.32241	1.1
56.05028	7.5
56.96554	4.3
57.03422	1.2
57.41569	1.2
67.05493	5.9
68.05848	1.4
69.07067	2.3
69.93013	7.2
70.06609	7.3
72.08167	2.4
73.75571	1.3
79.05487	1.5
81.07046	5.4
83.06106	64.0
84.04507	66.4
84.08151	11.0
85.02912	4.9
86.09705	6.1
91.05478	2.8
91.51442	1.2
95.08588	3.5
97.02887	1.8
97.06554	1.9
98.97575	5.2
101.07150	8.3
103.05444	3.2
109.10142	1.6
116.07089	1.6
116.98611	1.6
119.04952	3.3
120.08109	100.0
129.06544	1.4
129.10245	2.3
130.08676	2.3
131.04947	2.5
147.04401	7.6
149.06009	1.5
166.08647	34.7
177.00705	2.0
186.09189	6.1
230.12872	5.3
231.11311	23.2
256.30313	1.4
259.10785	3.8
276.13443	65.3
277.11844	35.9
294.14413	3.9
294.17981	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.92098	1.0
53.03945	2.7
55.01862	2.6
55.05268	1.4
55.05513	20.4
56.19836	1.1
56.96565	5.1
56.99266	1.0
57.03420	1.7
57.07076	17.0
59.04994	1.4
65.03944	1.1
67.05507	31.6
69.03420	2.3
69.07071	48.3
70.61489	3.4
71.04987	3.2
71.08631	7.3
79.05490	16.3
81.07056	92.2
82.23839	1.3
83.04929	2.0
83.08621	28.1
83.58774	1.1
85.02856	1.1
85.06555	10.2
85.10170	2.4
91.05484	10.1
93.07047	23.0
95.04975	3.9
95.08608	100.0
97.06521	4.5
97.10173	16.9
98.20760	1.2
98.97588	12.5
99.08084	7.9
105.07052	6.4
107.04971	1.6
107.08598	22.5
109.06541	1.2
109.10161	57.6
109.18081	1.0
109.90066	1.0
111.08096	5.9
111.11727	9.1
113.09679	1.3
116.98621	6.1
117.07017	2.4
119.08589	4.8
121.06554	1.3
121.10142	14.8
123.11708	37.4
125.09640	3.8
125.13264	5.3
131.00172	1.5
131.08565	2.0
133.10129	3.1
134.99701	2.0
135.08046	2.0
135.11685	8.8
137.13261	51.9
139.11130	2.9
141.09103	1.0
143.00085	1.5
145.10078	1.6
147.04416	1.5
147.11685	1.9
149.09639	2.2
149.13263	16.5
151.11235	1.6
151.14850	6.8
153.12793	1.8
158.99652	1.4
159.11668	2.2
163.03889	1.8
163.11156	1.3
163.14816	4.4
165.16414	3.4
167.14290	11.0
169.15804	1.3
173.13281	1.6
177.16396	2.3
179.17952	2.7
192.59195	1.3
205.19594	2.2
219.21088	1.4
223.20499	1.2
237.00638	1.3
237.21970	1.5
257.18924	1.5
275.20038	10.0
275.27271	5.3
292.62714	2.1
293.03214	6.6
293.11707	2.0
293.17731	1.2
293.20947	7.5
293.28381	51.5
311.04468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.02365	1.3
53.03930	3.3
55.01857	3.9
55.05513	25.7
56.96563	6.7
57.03423	3.3
57.07082	15.5
59.04980	1.4
61.63885	0.9
65.03922	1.1
66.49697	0.9
67.05506	44.6
69.03410	3.8
69.07069	50.2
69.99530	4.5
71.04977	3.3
71.08642	6.9
79.05496	18.4
81.03423	4.8
81.07058	100.0
83.04983	2.4
83.08617	34.5
85.02913	1.8
85.06548	11.9
85.10194	1.8
91.05471	14.3
93.07049	29.6
95.04953	4.4
95.08609	92.4
97.02884	1.8
97.06538	9.3
97.10174	16.5
97.59168	1.0
98.20819	1.7
98.97598	6.4
99.08086	9.3
100.99080	1.0
105.07027	10.6
107.04990	2.3
107.08600	31.2
109.06519	4.0
109.10159	61.1
111.08085	9.1
111.11726	12.3
112.13768	1.0
112.99138	1.7
113.09647	2.2
116.98602	1.2
117.06996	2.8
117.10001	1.0
119.04959	1.1
119.08586	4.8
121.06509	1.3
121.10146	18.7
123.08040	2.6
123.10819	2.1
123.11709	39.7
125.09675	5.4
125.10447	1.0
125.13279	5.8
131.00159	2.8
131.04956	1.2
131.08545	3.4
133.10143	5.7
135.04419	1.3
135.08018	2.2
135.11696	11.3
137.09618	2.5
137.13257	32.3
139.11177	2.7
139.14806	2.6
141.12750	1.0
145.02780	1.3
145.06462	1.3
145.10112	4.5
147.04402	4.1
147.11693	4.9
149.01257	6.5
149.02277	1.2
149.09579	4.3
149.13269	24.8
151.11163	2.9
151.14816	7.0
153.12688	2.6
157.10051	1.2
158.99606	1.3
159.11668	2.7
161.09685	1.3
161.13275	1.4
163.03923	2.6
163.11176	1.7
163.14832	8.9
165.16367	4.2
167.02304	2.0
167.14305	13.4
169.15894	1.4
171.11679	1.3
173.02342	1.6
173.13301	2.0
177.00630	1.5
177.12769	1.8
177.16374	2.8
179.14394	1.4
179.17928	3.8
189.11069	1.3
189.16515	1.1
191.02295	1.3
191.18011	1.4
193.19572	1.1
205.19463	1.5
215.07021	3.3
219.21039	2.5
237.22144	2.1
243.21179	1.3
247.24162	1.4
249.25610	1.9
257.18973	2.7
259.09564	3.4
261.22141	1.2
270.12503	2.9
275.16620	1.9
275.20032	16.2
275.27347	7.9
293.05338	2.9
293.13678	17.6
293.21222	21.8
293.24799	5.2
293.28329	50.8
294.28549	1.1
311.06305	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01878	3.7
55.05514	32.4
56.96560	6.1
57.03438	3.3
57.07082	17.8
59.05001	3.1
61.02916	0.9
61.72161	0.6
65.03934	2.2
67.05508	57.2
69.03414	3.9
69.07072	59.3
69.48721	5.6
70.74994	0.8
71.05006	6.5
71.08636	8.1
79.05499	26.2
79.05965	1.3
80.23328	0.7
81.03420	2.6
81.07060	100.0
83.04980	6.2
83.08622	45.0
84.08150	1.3
85.02912	1.3
85.06548	11.3
85.10182	2.2
87.04465	2.4
87.08125	0.9
91.05485	18.2
92.05833	0.9
93.07050	40.4
94.07348	1.2
95.04973	6.3
95.08612	94.4
97.06540	10.8
97.10175	23.7
98.97584	6.4
99.08096	6.7
101.05982	0.9
103.05485	0.8
105.07030	14.7
107.04967	2.6
107.08601	35.5
109.06522	5.9
109.10162	64.6
111.04430	1.9
111.08096	10.4
111.11726	11.8
112.99133	1.6
113.07933	0.8
113.09649	2.4
116.98602	2.4
117.07034	4.0
119.04967	1.2
119.08585	11.9
120.08909	1.1
121.06532	1.9
121.10150	24.7
123.04438	0.7
123.08073	3.7
123.11719	42.2
125.09621	8.6
125.13257	5.3
127.11197	0.9
129.07089	1.2
131.00192	2.1
131.08585	7.1
133.06509	1.1
133.10129	10.1
135.08076	2.8
135.11703	13.5
136.08427	0.8
137.09612	2.7
137.13264	19.9
139.11224	4.3
139.14813	2.1
143.08553	1.5
145.10129	6.0
147.04453	4.8
147.11702	4.8
149.01216	2.9
149.09605	2.4
149.13266	32.6
151.11194	2.1
151.14830	5.3
153.12776	4.4
155.14339	0.9
157.10114	2.0
158.99663	1.7
159.11687	4.2
161.13252	1.9
163.03923	3.0
163.11188	1.8
163.14833	7.8
165.16428	5.3
167.13025	0.9
167.14342	10.2
169.10216	1.2
169.15871	1.0
171.11740	1.3
173.02431	0.9
173.13290	2.1
175.14912	0.8
177.00734	2.0
177.12723	1.3
177.16412	3.6
179.17963	3.8
187.14842	1.2
189.09172	0.8
189.11214	2.1
191.14362	0.7
191.18002	1.9
193.19630	3.7
203.12762	1.9
205.19536	1.4
209.19052	0.8
215.06631	1.6
219.01845	1.2
219.21101	3.2
221.07930	0.9
223.20496	1.0
231.05908	0.9
237.22069	1.5
239.17851	1.0
247.20694	0.8
247.24098	1.1
249.25774	4.0
257.18988	3.4
259.09705	2.0
272.10992	0.9
275.20096	22.6
275.24658	1.0
275.27353	10.1
292.62701	1.4
293.11591	1.7
293.17764	1.3
293.21121	17.9
293.28375	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03942	1.1
55.01875	1.0
55.05510	10.7
57.07071	1.9
64.03252	0.4
65.03946	2.8
65.04226	0.5
67.05505	88.0
69.03436	0.7
69.07066	12.1
69.45963	0.4
69.80615	2.3
71.04999	0.9
71.08622	1.4
79.05492	15.0
81.03429	0.5
81.07056	100.0
83.04987	1.9
83.08622	6.7
85.06548	2.1
91.05486	7.2
93.07047	16.1
95.04955	1.3
95.08608	79.2
97.06535	2.9
97.10166	4.0
98.21483	0.7
99.08070	1.3
101.06036	0.6
105.07030	6.0
107.08591	10.6
109.06515	2.6
109.10159	31.4
111.08080	1.4
111.11711	1.1
113.59692	0.4
115.07587	0.8
117.07001	2.7
119.08585	5.5
121.10146	8.3
123.08073	2.2
123.11707	17.6
125.09638	1.3
129.09093	0.7
131.08560	7.0
133.09204	0.7
133.10133	5.2
135.08026	0.9
135.11714	6.9
137.09637	2.2
137.13257	11.7
139.11189	0.9
141.09100	0.5
145.10139	4.2
147.11699	3.9
148.57533	0.5
149.09616	2.6
149.13249	3.9
150.94676	1.1
151.11163	1.7
151.14836	5.0
155.10617	0.5
159.11691	5.3
161.13264	2.6
163.11160	3.4
163.14827	3.0
165.12752	2.0
165.16354	1.3
168.95723	2.0
173.13263	6.6
175.14815	0.9
177.12773	3.1
177.16397	2.6
179.14314	2.3
181.12248	0.8
186.96777	1.6
187.14825	3.8
191.14313	3.1
195.13680	0.9
201.16391	1.2
204.97731	0.7
205.15845	1.6
209.15309	1.1
217.19437	0.5
219.17538	0.7
219.21083	1.1
223.16875	1.6
231.10315	1.0
231.60434	0.5
233.22652	0.6
237.18472	1.5
240.10825	1.0
242.99406	1.2
243.21072	7.2
251.20065	0.7
257.18948	1.0
261.00580	0.5
261.22144	7.3
275.20041	4.6
293.21149	2.6
293.24695	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	3.1
55.01881	17.4
55.05265	1.9
55.05515	23.7
57.03421	2.3
67.05179	2.1
67.05508	32.8
69.03426	2.1
69.07063	15.9
71.05007	2.1
71.08086	3.6
79.05063	2.7
79.05495	39.2
81.03400	4.6
81.07067	32.9
83.04972	5.1
83.08614	12.9
90.74770	1.7
91.05482	26.8
93.07049	27.2
95.04961	15.7
95.08610	20.7
97.06536	25.1
97.10163	13.3
105.07044	28.6
107.04974	8.5
107.08602	71.7
109.06517	7.9
109.10149	11.0
111.08091	3.9
117.06999	6.4
119.08589	20.3
121.06506	5.2
121.10139	10.7
122.14523	1.7
123.08056	5.6
123.11718	2.0
125.09639	16.2
131.08551	11.3
133.10149	20.3
135.08022	4.1
135.11713	5.5
137.05937	5.5
137.09624	3.7
145.06418	2.1
145.10121	11.0
147.11702	14.1
149.09602	16.6
151.11192	10.8
155.10663	2.7
157.10139	3.2
159.11617	9.8
161.09669	1.9
161.13242	4.9
163.11189	7.0
165.08995	2.9
169.10181	2.5
171.11656	3.3
173.13203	4.3
175.11177	2.0
177.12700	4.5
189.11266	10.6
205.12144	2.2
219.13748	2.1
223.13287	5.9
229.19508	5.4
239.17896	4.7
247.20578	3.0
257.19064	11.3
275.20071	100.0
291.76144	2.1
293.21082	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.38474	1.6
54.66277	1.4
55.05519	10.9
57.07076	2.1
67.05510	85.6
69.07069	9.7
70.72790	2.2
70.73129	2.7
79.05499	15.1
81.07063	100.0
83.08630	4.2
91.04928	1.5
91.05489	5.2
93.07061	11.5
95.04985	2.1
95.08612	71.7
97.06557	2.5
97.10173	4.7
105.07033	4.9
107.08595	8.9
109.10160	33.4
117.07053	2.5
119.08586	4.4
121.10162	5.4
123.11711	24.5
131.08572	8.2
133.10117	3.8
135.11748	4.8
137.09656	3.2
137.13318	8.1
137.14249	1.5
145.10207	1.8
147.11710	2.3
149.13268	2.4
151.14752	2.1
159.11671	2.6
161.13342	1.6
163.11205	2.1
163.14839	2.4
165.12798	2.3
173.13272	3.0
177.12801	2.6
177.16435	2.7
187.14923	2.8
195.95935	1.4
223.17024	1.7
243.21144	3.9
251.35095	1.7
261.22208	6.7
293.24918	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	3.3
54.50270	1.2
55.01875	12.1
55.05261	1.7
55.05512	22.9
57.03432	3.0
57.07066	6.8
60.98730	1.1
64.96886	1.0
65.03919	1.3
67.05174	1.9
67.05506	31.4
69.03426	2.5
69.06727	1.4
69.07072	18.6
69.91599	5.1
71.04990	3.1
78.00243	1.2
79.05499	38.6
81.03416	4.4
81.07060	40.9
83.04979	5.5
83.08230	1.0
83.08630	11.5
85.06540	1.9
87.63714	1.3
91.05482	29.4
93.07052	24.8
95.04971	6.9
95.08610	25.3
97.06538	16.2
97.10157	9.4
98.20783	1.4
98.97590	2.3
99.08092	1.8
105.07034	28.0
107.04963	7.9
107.08595	52.3
109.06500	9.8
109.10156	10.4
111.08100	4.3
117.07021	6.3
119.08578	20.4
121.06537	2.2
121.10152	13.2
123.08064	5.7
123.11681	3.9
125.09638	10.4
129.07011	2.5
131.00117	1.6
131.08568	11.0
133.10130	18.0
135.08052	5.5
135.11652	6.1
137.09604	4.4
143.08569	2.8
145.10112	10.2
147.11676	13.4
149.01224	1.6
149.09621	11.8
149.13268	3.8
150.11398	1.2
151.11174	5.1
152.01753	1.2
155.08566	2.2
157.10092	2.5
159.08034	1.6
159.11699	9.1
161.13274	3.9
163.11151	6.9
163.14838	1.4
165.09097	3.0
165.12755	1.8
168.87488	1.2
169.10161	1.8
171.11623	2.8
173.13309	5.5
175.11211	2.8
177.12779	3.3
179.14366	1.6
181.12279	1.7
183.11732	1.8
187.11206	2.4
187.14822	1.3
189.11235	5.7
189.12714	2.0
191.14357	1.3
195.13745	1.5
197.13261	1.3
201.12889	1.6
201.16351	1.5
215.18076	1.2
219.17509	1.3
221.15334	1.5
229.19617	5.2
239.17943	3.8
247.20584	6.0
257.19003	9.5
257.63998	1.2
275.20078	100.0
276.20517	1.5
292.62280	1.3
293.13287	4.7
293.21103	26.3
310.95410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03936	5.3
55.01876	34.5
55.05518	43.4
67.05170	4.1
67.05509	44.3
69.07071	15.2
69.97781	11.2
71.04988	4.4
79.05499	77.1
81.03421	3.0
81.07057	33.6
83.04995	22.3
83.08624	18.1
91.05493	27.7
93.06477	3.7
93.07047	41.5
95.04945	8.1
95.08622	18.1
97.05934	2.8
97.06539	53.5
97.10177	18.4
98.21461	3.7
101.89329	2.3
105.07037	30.0
107.04977	29.3
107.08604	52.9
109.06483	3.7
109.10160	13.8
110.93246	2.2
111.08085	6.2
117.07053	12.8
119.08591	26.5
121.06520	3.7
121.10145	19.1
123.08060	3.3
123.11691	7.3
125.09633	21.2
129.07050	3.6
131.08591	11.6
133.10133	21.5
135.08034	8.1
135.11655	5.3
137.09641	3.6
145.10104	10.7
147.11685	13.9
149.09636	65.4
151.11201	4.2
153.09131	3.9
157.10014	3.7
159.11685	10.2
161.13246	6.1
163.11153	7.4
163.14778	2.8
169.12256	5.3
170.23093	2.7
171.10158	4.6
173.11740	4.0
173.13231	3.4
176.17372	2.4
179.14276	4.8
189.11252	15.6
200.48914	2.6
209.15338	4.5
229.19466	9.2
233.15382	4.3
239.18195	4.7
247.20529	4.6
257.18973	14.7
275.20065	100.0
293.21185	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	1.3
55.05503	6.6
57.03189	1.3
57.03438	14.3
59.05000	0.9
67.05180	1.2
67.05509	14.0
67.42023	0.9
69.07063	5.4
69.32671	9.1
71.04971	0.9
78.68715	0.8
79.05489	16.0
81.03419	1.1
81.07059	18.7
83.08600	4.2
85.06529	3.1
91.05487	21.0
93.07042	18.2
95.04957	1.7
95.08604	13.5
97.06500	1.2
97.10136	1.4
98.20705	1.6
99.04436	5.4
99.08095	1.2
105.07033	13.9
107.04954	3.7
107.08603	8.7
109.06509	7.0
109.10147	4.2
111.08065	1.6
117.07018	9.5
119.08585	13.7
119.60312	0.9
121.06490	1.4
121.10110	6.2
123.08089	3.2
123.11690	1.2
129.07010	1.8
131.08577	11.6
133.10143	8.2
135.08073	1.5
135.11671	4.6
137.09592	2.8
143.08557	1.3
145.10149	5.3
145.83510	1.0
147.11638	3.5
149.09651	5.1
149.13263	1.5
151.11243	1.2
154.45836	0.9
159.11679	4.3
161.13174	1.4
164.85883	1.0
171.11801	1.2
173.13281	2.6
185.13226	3.7
201.16376	5.3
203.14334	3.7
209.15263	1.6
219.17442	100.0
221.15350	2.3
257.19110	1.7
263.56723	1.0
275.20099	16.0
293.21112	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	1.5
55.01871	3.1
55.05517	9.6
57.03439	1.3
57.07063	1.0
58.49466	1.0
67.05180	1.4
67.05512	20.5
69.03413	1.2
69.07071	15.2
69.33752	4.4
69.34169	4.2
71.04983	2.3
77.39093	0.9
79.05497	12.7
80.68682	1.1
81.07063	21.5
83.04976	5.7
83.08623	2.9
91.05490	13.0
91.16012	0.9
93.07055	17.1
95.04943	5.6
95.08614	14.6
97.06517	3.5
97.10160	1.3
105.07042	17.7
106.62730	1.0
107.04970	4.7
107.08606	11.5
109.06535	7.1
109.10180	6.7
111.08115	1.8
117.07035	5.4
119.08610	10.2
121.06530	6.4
121.10179	6.9
123.08059	3.3
123.11705	2.9
129.07039	1.2
131.08577	10.6
133.06522	2.3
133.10136	15.0
135.08076	1.7
135.11711	3.7
137.09618	2.4
141.07021	1.1
143.08592	1.0
145.06526	1.5
145.10115	7.8
147.08052	2.9
147.11682	7.8
149.09621	3.2
149.13268	1.5
151.11186	6.1
157.10115	3.0
159.11719	5.0
161.09563	1.8
161.13257	1.6
163.11143	2.8
171.11716	1.2
173.09587	2.2
173.13278	2.5
175.11252	1.1
177.12840	1.7
183.11707	1.7
187.11278	1.7
189.12744	1.6
191.14296	1.5
197.13231	1.7
201.12706	2.3
207.13863	2.7
215.17889	1.1
219.13701	5.3
229.19554	1.4
233.15341	1.4
239.17931	2.8
257.19028	13.1
275.20078	100.0
293.21133	29.8
306.06815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.2
55.01868	6.8
55.05266	1.8
55.05511	25.0
57.03434	3.3
57.07064	3.3
57.42387	1.2
65.03936	2.9
65.59263	1.1
67.05507	44.8
69.03428	2.6
69.07071	22.6
69.79515	1.1
69.89441	6.0
71.04989	3.4
79.05493	40.4
81.03431	4.1
81.07057	100.0
83.04987	6.8
83.08622	10.9
85.06557	2.7
86.69411	1.2
91.05482	35.8
93.07042	34.1
95.04967	12.8
95.08611	34.3
97.06524	6.1
97.10166	3.6
98.20764	2.5
99.08125	2.5
105.07028	38.4
107.04931	6.4
107.08598	28.4
109.06523	23.6
109.10162	25.6
110.53911	1.3
111.08079	5.3
117.07033	11.4
117.26283	1.0
119.08581	48.0
121.06503	5.6
121.10137	15.0
123.08082	8.8
123.11710	7.3
125.09635	5.3
129.07013	3.6
131.08563	14.0
133.06496	1.9
133.10139	31.9
135.08051	10.7
135.11702	8.6
137.09625	11.6
137.13272	1.5
139.11269	1.7
143.08521	1.6
145.10144	10.2
147.08038	2.1
147.11717	17.2
149.09610	11.5
149.13216	3.8
151.11186	9.8
155.08588	1.8
157.10149	3.3
159.11670	10.8
161.09634	2.6
161.13266	4.4
163.11174	9.7
163.14861	1.7
165.12755	3.8
169.12309	1.7
171.11676	2.4
173.13280	5.0
175.11160	2.8
177.12723	2.5
183.11681	1.6
193.12308	3.0
195.13899	1.5
197.13222	2.0
209.76711	1.3
214.84651	1.3
219.17496	1.9
223.13190	2.0
229.19553	5.5
239.17978	6.5
247.20525	8.8
249.30635	1.4
257.18939	12.0
259.52548	1.4
265.21588	3.1
275.20071	84.1
293.21115	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	6.2
54.95897	1.3
55.01880	9.0
55.05513	28.7
57.03427	4.1
57.07049	2.6
63.93429	1.3
65.03915	2.4
67.05509	47.3
69.03413	2.4
69.07070	26.6
69.89269	4.6
71.04979	5.4
74.66264	1.4
79.05499	49.2
81.03415	5.5
81.07063	98.0
83.04969	5.8
83.08625	16.2
85.06542	3.2
91.05489	36.5
92.06227	1.6
93.07048	32.1
95.04989	14.2
95.08617	33.6
96.73074	1.6
97.06543	15.4
97.10172	7.3
103.05510	2.0
105.07037	38.9
107.04968	9.5
107.08598	47.0
109.06525	30.0
109.10155	17.3
111.08065	7.5
117.07042	10.8
119.08585	37.1
121.06532	4.2
121.10133	17.1
123.08094	13.9
123.11703	6.8
125.09631	6.6
129.07053	2.6
131.08575	17.4
133.10143	28.8
135.08054	8.4
135.11720	7.6
137.09618	8.9
137.13284	1.8
143.08569	3.3
145.10132	16.5
147.11697	25.0
149.09604	13.5
149.13217	5.6
150.65845	1.6
151.11209	5.7
155.08557	2.0
157.10164	2.7
159.11700	10.2
161.09567	1.6
161.13272	4.4
163.11186	9.0
163.14749	2.2
165.12747	2.8
169.10175	2.6
171.10283	1.5
171.11703	3.4
173.09657	2.4
173.13269	9.3
175.11198	2.6
175.14828	2.2
177.12740	3.9
179.14236	1.6
183.11693	2.7
187.11195	3.1
187.14793	2.9
189.11214	4.1
191.14262	2.4
193.12288	2.1
197.13278	2.4
201.12741	2.0
205.15868	2.2
213.16383	1.8
215.17911	1.7
219.17484	1.8
221.15376	2.5
223.13365	2.1
229.19478	3.4
235.17018	1.5
237.23639	1.5
239.17926	6.8
241.67267	1.4
247.20538	7.0
249.18646	1.5
257.19089	14.1
266.75699	1.4
275.20078	100.0
293.21118	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01867	9.9
55.05516	37.8
57.03435	3.4
67.05180	3.2
67.05510	45.9
69.03424	5.4
69.06731	2.1
69.07068	25.6
69.77444	7.7
69.77850	3.8
79.05499	54.6
81.03407	5.7
81.07059	42.0
83.04980	7.0
83.08617	21.2
85.06542	3.5
91.05482	37.0
93.07055	37.9
95.04975	17.3
95.08611	29.0
97.06532	14.4
97.10181	20.7
98.21452	2.9
105.06380	3.8
105.07033	41.1
107.04948	7.6
107.08600	98.8
109.06499	7.8
109.10165	15.8
111.08081	3.3
117.07024	10.6
119.08592	26.7
121.06499	3.9
121.10148	19.2
123.08051	6.4
123.11716	2.9
123.74636	2.0
125.09639	18.8
129.07014	3.5
131.08585	16.4
133.10152	24.0
135.08031	6.6
135.11687	6.9
137.09581	12.1
138.52043	2.3
139.11162	5.0
141.06967	2.9
145.10155	17.2
147.11690	13.7
149.09628	12.4
149.13292	3.2
151.11174	4.7
153.09160	2.4
157.10155	2.9
159.11691	9.7
161.13287	5.1
163.11192	6.0
171.10191	3.0
171.11618	4.0
173.13261	5.5
175.11145	2.8
176.66382	2.1
181.12279	2.4
187.11224	2.3
189.11227	12.2
203.12691	4.2
217.32774	2.6
223.13133	3.5
229.19492	2.7
239.17897	5.4
247.20535	4.2
257.19061	12.5
275.20074	100.0
293.21075	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.45468	1.1
53.03943	3.9
55.01869	9.0
55.05512	23.6
57.03430	1.6
65.03922	2.1
67.05134	1.4
67.05503	25.7
69.03406	2.7
69.07070	10.9
69.87189	2.5
69.87579	2.8
71.04987	1.2
79.05495	46.4
79.05965	2.7
81.03394	2.8
81.07064	19.2
83.04967	4.9
83.08617	11.6
85.06549	1.5
91.05478	27.4
93.07050	19.4
95.04965	4.2
95.08064	1.5
95.08615	22.7
97.06524	9.3
97.09615	1.9
97.10178	19.0
105.04533	1.1
105.07029	31.1
107.04984	6.9
107.08594	100.0
109.06523	4.4
109.10155	9.2
111.08098	1.3
117.07041	5.9
119.06089	2.2
119.08560	14.1
121.06501	1.2
121.10144	8.2
123.08058	2.3
123.11781	1.6
125.09632	17.3
129.07001	1.5
131.08586	7.2
133.10127	13.9
135.08087	2.7
135.11670	4.8
137.09624	3.9
141.06914	1.3
145.10120	13.0
147.11703	13.3
149.09615	11.8
153.12779	2.3
157.10172	2.7
159.11725	7.3
161.09628	2.2
161.13239	3.0
163.11182	4.1
165.09094	2.9
169.10104	1.5
171.10158	4.6
171.11665	2.9
173.13258	3.9
175.11098	1.4
176.71494	1.3
177.12791	1.5
181.12262	2.9
183.11821	1.3
187.11200	2.8
189.11188	14.1
189.12662	1.2
229.19521	3.6
239.17969	3.6
247.20477	2.5
257.18985	9.4
272.15036	1.2
275.20068	87.1
293.21069	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.01723	1.4
53.03942	3.6
55.01875	12.9
55.05515	20.7
57.03440	9.4
65.03957	1.7
67.05501	24.0
69.03413	1.9
69.07070	31.6
70.82138	3.9
71.04987	1.9
79.05495	35.7
81.03406	4.7
81.07062	30.9
82.03835	1.7
83.04971	4.6
83.08614	8.3
85.06544	3.6
86.59025	1.6
91.05484	26.2
93.06472	2.8
93.07050	39.5
93.26926	1.4
95.04972	16.5
95.08603	20.9
97.06544	19.8
97.10184	9.6
105.07038	32.6
107.04957	7.6
107.07877	2.4
107.08600	49.8
109.06521	5.2
109.10162	7.0
111.08141	2.1
117.07012	6.4
119.08582	19.2
121.06495	5.2
121.10148	15.1
123.08068	5.3
125.09620	10.3
129.06981	4.0
131.08568	14.8
133.10141	22.4
135.08063	8.0
135.11679	6.3
137.09642	2.1
139.11150	2.6
143.08553	3.7
145.10120	17.9
147.11694	14.0
149.09628	14.0
149.13235	2.8
151.11206	4.7
157.10167	3.5
159.11702	12.5
161.09685	1.8
161.13208	8.1
163.11224	7.6
165.09076	4.2
171.11729	2.2
173.13257	5.6
175.11177	2.8
177.12711	4.9
183.11649	2.5
185.13261	9.5
187.11195	2.6
189.11189	4.9
191.14423	2.1
201.12834	2.3
203.14334	8.5
219.17419	13.9
221.15353	10.3
229.19427	3.4
237.14845	5.8
239.17955	4.5
247.20586	5.9
257.19019	12.1
275.20074	100.0
293.21094	28.9
310.02194	1.9
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
53.03952	25.2
55.01876	18.1
55.05510	24.1
56.13184	2.4
57.03441	6.2
67.05504	57.1
67.05829	3.9
69.03430	5.8
69.07076	41.8
71.05004	3.3
71.30175	3.4
71.30499	3.8
79.05499	45.8
81.03423	51.3
81.03864	4.8
81.07060	89.6
81.07522	5.9
83.04997	12.8
83.08633	12.8
91.05484	58.2
91.06005	3.8
93.07034	34.0
93.93639	3.0
95.01359	12.0
95.04974	17.3
95.08602	45.2
97.06535	23.1
97.10175	5.2
105.06306	5.1
105.07034	100.0
107.04966	23.6
107.08582	21.6
109.06544	12.5
109.10170	11.1
111.08088	4.5
114.43616	3.0
116.51854	2.7
117.07014	18.6
119.08586	47.0
121.06544	7.7
121.10190	7.9
123.04462	3.5
123.08092	14.2
125.09656	3.2
129.06961	3.3
131.08595	23.9
133.10143	56.6
135.08102	5.2
135.11699	13.6
141.06998	3.7
143.08604	7.2
145.06540	7.4
145.10152	18.6
147.11670	23.8
149.09630	8.4
149.13271	6.8
151.11259	5.2
157.10130	6.0
159.11693	20.8
161.13300	3.3
163.59724	2.9
165.09273	3.9
169.10201	6.1
171.11743	4.3
173.13246	3.5
177.12907	5.5
179.14301	16.5
183.11708	3.3
187.11224	9.6
195.13812	5.5
197.13205	3.9
205.12352	4.5
216.29649	2.5
219.17413	16.2
223.13228	3.0
229.19452	4.7
239.18018	4.9
241.14401	3.0
247.20599	3.5
257.19046	9.0
275.20056	91.4
293.21115	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	4.4
53.82406	1.1
55.01879	5.8
55.05514	17.3
55.72654	1.1
57.03431	1.9
57.07066	1.8
65.03934	1.4
67.05508	25.2
69.03430	1.3
69.07072	16.8
69.98344	5.3
70.47903	1.0
71.05004	2.0
79.05064	2.3
79.05499	33.9
81.03410	5.3
81.07059	100.0
83.04989	4.0
83.08620	10.9
85.06555	2.3
91.05479	21.5
93.07048	20.1
95.04984	10.2
95.08610	16.4
97.06532	7.9
97.10186	3.1
99.08096	1.5
105.06391	1.7
105.07038	21.5
107.04977	8.4
107.08604	14.1
109.06522	43.0
109.07269	2.4
109.10151	6.6
111.08096	3.6
116.51196	1.1
117.07054	5.7
117.99426	1.1
119.08593	19.4
121.06490	4.0
121.10151	11.1
123.08094	7.6
123.11726	4.2
125.09619	3.0
129.06979	1.4
131.08571	8.8
133.10135	15.8
135.08038	3.8
135.11696	4.6
137.09615	4.4
140.37965	1.3
143.08578	1.6
143.81726	1.6
145.06427	1.9
145.10153	7.2
147.08020	2.0
147.11705	13.3
149.09633	7.8
149.13275	4.1
151.11179	4.4
157.10138	2.9
159.11682	6.6
161.09636	1.2
161.13155	2.3
163.11177	7.6
163.14842	2.6
165.12758	3.9
173.09621	1.5
173.13281	3.8
175.11192	3.3
176.00615	1.1
177.12711	1.2
183.11676	1.4
187.11169	2.7
187.14763	1.2
193.12227	4.4
201.12880	1.1
219.13840	1.3
229.19565	2.8
239.17944	3.5
247.20621	5.0
257.19086	5.1
275.20078	57.8
293.21118	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02372	1.2
53.03932	3.9
55.01632	1.1
55.01873	13.4
55.05516	21.5
56.96546	2.7
57.03426	4.3
57.07055	1.7
59.04977	1.2
60.39272	1.3
65.03936	1.0
67.05508	37.2
69.03423	2.7
69.07069	20.1
69.99588	3.2
69.99991	2.1
71.04974	3.5
73.44386	0.9
79.05495	35.1
81.03425	4.7
81.07063	44.8
83.04990	6.8
83.08621	10.8
84.20587	1.2
85.06561	1.8
87.93897	1.0
91.05486	24.8
93.06469	1.7
93.07051	27.6
95.04977	10.2
95.08059	1.8
95.08614	23.9
97.06538	14.3
97.10165	10.4
98.97562	2.8
99.08106	1.9
105.07040	28.6
107.04983	7.9
107.08601	49.6
109.06516	12.0
109.10170	10.6
111.08076	3.3
113.06031	1.3
117.07013	9.0
119.08587	20.8
119.58547	1.1
119.60697	0.9
121.06484	3.3
121.10159	13.5
122.10497	1.1
123.08076	6.6
123.11687	4.7
125.09641	9.8
129.06958	1.9
131.00145	2.4
131.08572	12.5
133.06424	1.2
133.10133	18.0
135.08041	5.9
135.11670	7.4
137.09587	3.8
139.11171	1.1
141.06999	1.4
142.20834	1.0
143.08548	1.4
145.10146	12.9
147.08005	1.7
147.11705	13.7
149.01208	3.0
149.09624	15.4
149.13277	2.0
149.36519	1.0
151.11162	4.6
155.08421	1.3
156.03630	1.1
157.10132	3.7
159.11694	10.4
161.09587	2.4
161.13239	4.2
163.11227	8.9
163.14809	1.5
165.09100	3.4
171.11687	2.2
173.11816	1.6
173.13245	6.2
175.11185	2.9
177.12723	4.6
179.14232	1.6
183.11647	2.1
185.13251	2.2
187.11137	1.8
187.14810	1.5
189.11211	5.5
189.12682	2.3
190.01143	0.9
191.14409	1.0
197.13139	1.5
201.16360	1.1
203.12698	1.2
203.14363	2.0
215.14308	1.1
215.17958	1.4
217.85515	1.0
219.13815	1.4
219.17455	1.7
229.19528	4.8
235.37825	1.0
239.17964	5.7
247.20567	5.8
257.19052	13.0
275.20078	100.0
284.12958	1.4
293.13348	9.9
293.21124	29.2
293.63498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08568	1.8
71.12679	0.9
86.20022	0.9
105.45809	0.9
113.52470	0.9
293.06342	100.0
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
56.60647	2.2
71.41455	3.7
72.77049	1.9
85.65443	1.9
101.32017	2.2
129.34973	2.0
183.79692	1.9
206.36844	2.1
293.06360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03960	6.3
55.01881	9.5
55.05516	17.5
56.20933	1.1
57.03426	2.2
58.56685	1.2
65.03940	1.6
67.05510	34.8
69.03438	1.7
69.07069	17.6
70.16571	2.4
70.16956	3.3
71.04996	2.8
77.03965	1.0
79.05496	33.2
81.03404	5.6
81.06585	2.7
81.07066	53.8
83.04982	4.7
83.08615	10.4
85.06540	2.8
91.05488	24.4
93.07046	27.5
95.04964	9.0
95.08616	23.1
97.06542	11.5
97.10168	5.3
103.05434	1.4
105.07037	27.6
107.04958	8.9
107.08598	32.3
109.06524	10.7
109.10175	11.2
111.08074	4.0
117.07033	8.9
119.08601	20.9
119.43888	1.2
120.04601	1.1
121.06516	4.9
121.10159	12.0
123.08110	6.3
123.11722	4.8
125.09631	8.7
129.06996	2.1
131.08597	9.4
133.06427	1.4
133.10121	17.4
135.08058	5.0
135.11691	5.0
137.09644	4.6
141.07001	1.5
143.08578	2.0
145.06522	1.1
145.10144	10.4
147.08031	1.8
147.11700	12.7
149.09651	12.7
149.13226	2.5
150.22559	1.3
151.11195	4.8
157.10149	2.6
159.11697	9.1
161.13258	4.8
163.11208	9.7
163.14818	1.9
165.09103	2.9
165.12796	4.1
169.10147	1.9
171.11699	2.3
173.13235	3.3
175.11229	2.1
175.14819	1.7
177.12750	4.2
179.14308	1.2
181.12190	2.3
183.11809	1.4
185.13380	1.8
187.11179	3.0
189.11238	4.0
189.12804	2.1
195.13873	1.7
197.13264	1.6
223.13393	1.4
229.19565	3.0
239.18027	6.4
247.20610	5.1
257.19003	12.0
275.20074	100.0
293.21118	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	292.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.4
55.05498	21.2
55.34037	3.6
56.96563	5.2
57.03428	6.5
60.24107	3.2
67.05504	33.8
68.05853	6.2
69.03426	5.7
69.07055	16.3
70.07382	4.1
70.95876	8.8
71.04986	11.9
79.05496	39.6
80.05832	4.4
80.08336	3.7
81.03421	43.4
81.07058	42.3
82.07385	9.4
83.04984	12.1
83.08614	12.4
85.06490	4.0
88.07610	3.9
91.05479	26.1
91.24947	4.9
92.05811	5.8
93.07045	27.2
94.07350	8.8
95.04992	21.1
95.08598	17.3
97.06511	8.3
97.10155	9.4
98.97538	6.9
105.07044	24.5
106.07367	7.4
107.04945	10.5
107.08598	20.5
108.08872	4.6
109.06506	17.2
110.06821	4.1
111.08071	7.0
113.06016	3.8
117.06992	5.8
118.07265	4.8
119.08566	21.2
120.08881	6.2
121.06480	4.8
121.10139	14.0
123.08063	7.5
124.08402	4.5
125.09618	4.4
129.07008	9.8
131.00134	5.5
131.08549	15.6
133.10147	23.9
134.10449	4.5
135.08032	7.6
136.08376	7.2
137.09560	3.9
145.10112	7.6
146.10458	4.4
147.08026	6.5
147.11667	17.3
148.08420	4.9
149.01218	7.4
149.09630	14.4
150.09863	5.1
156.03581	6.6
157.10085	9.2
160.08461	4.2
162.09996	4.7
175.11217	18.1
183.71933	3.6
193.12253	83.5
218.16293	5.9
225.14861	100.0
244.09869	4.3
248.21956	4.3
264.11292	8.9
274.18875	37.5
292.19897	66.9
292.22958	4.3
292.27338	18.4
293.13379	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	292.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82682	4.1
53.03941	4.5
55.01870	17.9
55.05513	79.6
56.96561	15.6
57.03429	16.2
57.07086	6.3
59.04991	5.2
60.34273	3.7
67.05510	92.9
68.05837	6.5
69.03436	7.5
69.07080	31.0
69.30019	34.9
70.06589	7.5
71.01369	32.1
71.04996	12.2
71.08643	6.6
73.02920	7.2
75.16609	3.8
77.81865	4.1
79.05502	63.4
79.92072	3.9
80.05009	16.3
80.05855	6.4
81.03401	14.6
81.07062	75.1
82.07405	6.5
83.01296	4.9
83.04979	13.9
83.08627	33.5
84.08937	4.6
85.02914	10.0
91.05479	52.4
93.07047	55.3
94.06573	18.9
94.07397	4.8
95.04966	16.7
95.08620	35.4
96.04581	4.4
96.05240	4.2
96.08943	9.7
97.02896	8.4
97.06547	11.7
97.10182	43.6
98.97608	22.7
99.00792	5.2
103.70270	3.9
105.07037	33.2
106.07340	5.3
107.04955	30.6
107.08614	58.9
108.08133	10.4
108.08928	6.0
109.06509	14.9
109.10168	44.9
110.10450	7.0
111.04412	6.3
111.08082	11.1
112.11315	5.0
116.98595	4.7
117.07046	24.4
119.08596	34.7
120.08923	6.5
121.06531	7.6
121.10136	14.1
123.04461	8.5
123.08045	12.8
123.11669	6.6
125.09656	56.8
127.11198	4.9
128.06230	6.8
129.06963	9.1
131.08600	10.2
133.10127	31.0
135.08075	29.4
135.11617	4.7
137.09590	7.7
143.08549	23.4
145.06560	5.6
145.10081	8.9
147.04428	10.3
147.08049	21.9
151.07553	7.2
151.11247	8.2
153.09074	28.5
158.99712	4.6
159.11703	5.4
161.09653	38.6
163.11255	5.0
165.09082	5.2
171.08040	15.6
171.10167	10.0
179.10663	44.6
189.09128	68.9
197.11772	10.7
203.12793	42.4
207.10187	59.7
221.11725	51.5
222.14824	7.5
225.11220	100.0
239.12810	38.1
243.12250	32.0
257.13937	27.2
262.13226	4.3
269.12509	6.6
271.61920	5.1
274.18918	14.0
292.12686	5.5
292.16324	6.0
292.19623	34.0
292.22775	82.4
292.27145	11.0
301.90808	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1907
Annotation	eucatropine
Peak:m/z	Relative Intensity
55.01859	0.3
55.05501	0.7
56.96590	0.3
63.47245	0.2
67.05479	0.6
69.07053	0.3
69.61523	0.6
69.61929	0.8
72.04518	0.3
79.05489	0.3
81.07043	0.3
91.05506	1.1
92.05001	3.6
93.05766	0.6
94.06553	0.8
98.97585	0.3
99.69681	0.2
99.88293	0.2
105.06992	0.2
106.06575	1.2
109.02006	0.2
117.05765	0.8
118.06547	13.7
119.07352	1.5
120.08120	1.3
121.06525	0.2
130.06557	1.1
130.07402	0.2
131.07326	0.4
132.08102	1.6
133.08858	0.3
133.88654	0.3
134.09615	0.6
144.08102	0.5
146.09662	1.1
150.08986	0.2
160.11282	0.4
162.09151	10.6
163.09929	3.3
164.10704	0.4
176.10806	0.5
176.14386	2.2
177.14677	0.6
190.08633	1.2
202.15933	4.3
203.16275	0.3
204.10210	0.5
217.97430	0.2
218.11723	0.5
230.15407	15.8
234.07591	0.7
246.14908	2.7
248.09242	0.3
248.16444	2.5
262.10767	0.3
274.14404	0.7
274.18103	0.5
274.23627	0.5
275.14728	0.4
292.15488	20.0
292.19049	100.0
293.19470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.02385	1.0
53.03934	4.3
55.01871	7.6
55.05514	34.2
56.96554	4.6
57.03437	5.8
57.06833	1.0
57.07080	14.2
59.04987	3.4
60.23809	1.0
63.65905	1.1
65.03939	2.0
67.05505	38.5
69.03429	7.0
69.07069	59.1
70.06579	4.4
71.04989	5.5
71.08614	5.1
71.21519	1.9
79.05495	38.4
80.04977	1.4
81.03428	10.2
81.07061	100.0
83.04987	7.0
83.08622	21.6
84.01788	1.0
84.04514	1.5
85.06547	6.4
85.10178	2.2
88.07620	4.1
91.04978	1.7
91.05486	23.4
93.07048	45.9
95.04975	11.1
95.08609	96.6
97.06519	8.9
97.08919	1.9
97.10176	11.1
98.97588	5.4
99.08080	4.4
105.07032	29.1
107.04963	28.3
107.08594	40.8
109.02939	1.2
109.06530	14.5
109.10162	48.8
110.09679	1.5
111.04466	1.0
111.08060	8.5
111.11710	7.7
114.09185	1.1
115.05463	1.6
115.09501	1.2
116.98641	1.1
117.07046	7.8
118.06590	1.8
119.07789	1.8
119.08585	23.8
121.06528	10.1
121.09317	1.9
121.10149	30.0
123.08101	7.0
123.11713	32.4
125.09630	6.3
125.13284	1.2
129.06955	5.1
131.00114	1.8
131.08585	13.2
132.10207	4.5
133.06468	4.1
133.10112	16.6
135.08073	15.4
135.11690	23.0
137.09622	3.9
137.13263	30.7
139.07573	1.0
139.11157	5.9
139.32838	1.0
141.06989	1.4
143.08600	7.2
145.06496	1.7
145.10124	12.5
147.08058	8.1
147.11702	11.4
149.09625	16.1
149.12199	1.6
149.13271	22.3
150.11246	4.7
151.07545	3.1
151.11482	2.5
151.14783	3.8
153.05460	3.0
153.12785	5.3
157.10132	6.1
159.08066	2.7
159.11699	4.3
161.09654	5.5
161.13266	10.2
163.11180	3.5
163.14824	15.6
165.09093	1.7
165.12747	2.4
165.16309	1.8
167.10684	2.9
169.10139	1.8
171.11662	5.4
173.09592	2.7
173.13251	2.9
175.11224	3.7
175.14825	4.4
176.14380	5.8
177.12798	1.2
177.13080	1.5
177.14668	14.9
177.16377	7.9
179.14258	1.3
181.16060	0.9
183.11713	1.4
185.13258	1.3
189.11243	2.1
189.12769	2.5
189.16385	4.6
189.17966	1.0
191.08319	1.1
191.10721	2.4
191.14284	1.8
191.17952	4.4
199.11191	1.8
199.14742	1.1
203.17926	4.8
205.19545	1.1
207.13693	1.4
210.08955	1.5
213.16266	1.4
215.14386	2.5
217.12308	1.1
217.15825	2.6
217.19510	4.8
221.19022	1.1
223.13278	1.6
227.17990	1.9
231.17529	1.5
231.21106	2.3
233.15346	3.0
233.22739	1.3
235.13272	1.2
237.16423	1.8
241.14398	1.4
245.13748	1.1
245.19058	2.4
247.21703	1.8
247.24428	3.1
249.14838	2.3
255.17404	4.7
268.09583	1.1
273.18549	24.4
273.23190	3.4
273.25769	16.0
282.11105	1.8
291.12125	2.1
291.19073	50.5
291.22098	8.0
291.26974	87.6
296.22473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02386	1.0
53.03933	5.3
55.01862	1.4
55.05515	19.4
57.07069	2.1
59.04989	1.5
63.32840	1.4
65.03935	1.2
67.05509	39.5
69.07069	18.0
71.08952	2.3
73.06545	1.3
77.03908	1.1
78.98505	1.2
79.05499	74.9
81.03392	1.1
81.07064	47.0
83.04975	3.5
83.08630	8.3
85.06527	3.6
85.34908	1.2
91.05486	31.7
93.07050	100.0
95.04961	5.0
95.08062	2.0
95.08616	28.4
95.20889	1.1
97.06529	2.9
97.10160	3.6
105.04512	1.8
105.07038	16.7
107.04914	1.4
107.08600	55.0
109.06499	2.6
109.10168	14.6
111.08064	1.7
117.07020	4.6
119.08593	13.9
121.10152	50.4
123.08030	1.8
123.11691	3.7
125.09626	2.0
129.06998	2.6
131.08563	6.2
133.10123	15.3
135.08115	2.8
135.10689	2.5
135.11699	49.7
137.09619	2.4
139.09026	1.2
139.11209	1.6
143.08540	2.9
145.10101	6.8
147.08054	1.3
147.11697	9.6
149.09608	3.2
149.13268	32.7
157.10086	2.9
159.11728	6.3
161.09602	2.6
161.13263	9.2
163.11200	3.0
163.14828	10.7
171.11667	4.4
173.13223	3.3
174.94356	1.1
175.11163	1.9
175.14815	6.9
177.12750	2.0
184.04524	1.2
185.13298	3.9
189.12697	2.7
195.13745	1.8
199.14748	2.1
209.15283	1.7
213.16370	2.9
217.15877	1.5
217.19437	2.3
235.16931	2.4
241.19537	6.9
249.18596	1.6
259.20642	11.1
273.18533	1.7
291.19769	6.7
291.23163	74.8
314.67093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.61434	1.4
53.03935	4.6
55.01845	2.0
55.05518	18.7
59.17675	1.3
65.03934	2.2
66.83614	1.3
67.05507	32.2
69.07069	18.2
70.14632	3.0
70.14999	3.3
70.61517	1.5
79.05496	66.5
79.42699	1.4
81.07064	33.6
83.08627	8.8
83.47182	1.3
85.06554	2.4
91.05478	29.3
93.07047	93.1
95.04964	3.4
95.08050	2.2
95.08611	24.5
97.06525	3.6
97.10165	3.5
98.21434	2.0
105.07033	17.3
107.04958	1.9
107.08601	54.3
109.06532	3.4
109.10150	14.1
117.07012	3.3
119.08593	22.8
121.10149	44.8
123.08022	1.8
123.11713	4.1
129.06989	2.3
131.08548	4.7
133.10144	12.9
135.08098	2.6
135.11699	50.0
143.08603	3.0
145.10109	7.3
147.11684	11.9
149.09566	3.2
149.13268	22.4
157.10149	2.0
159.11688	9.0
161.13254	6.7
163.11214	3.1
163.14807	9.8
171.11674	2.9
173.13310	4.2
175.11287	1.7
175.14792	4.6
177.12743	1.7
185.13275	3.9
189.12819	2.7
199.14818	2.4
221.15488	2.0
231.17336	2.4
231.21149	2.1
241.19540	6.6
249.18639	1.5
259.20587	13.5
273.18439	2.7
291.19769	7.8
291.23172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03937	3.8
55.05272	0.9
55.05514	15.8
57.07080	2.0
65.85422	0.9
67.05506	30.3
69.07070	15.0
69.96552	3.8
69.96964	1.5
73.06570	0.9
77.03922	1.2
78.51333	0.9
78.65099	0.9
79.05495	52.6
81.03429	1.3
81.07060	42.0
83.04969	1.4
83.08617	7.4
85.06525	3.4
91.05484	23.5
92.64922	1.1
93.07047	84.6
95.04964	3.2
95.08612	33.7
96.34032	0.9
97.06509	2.8
97.10152	4.5
99.08080	1.4
105.04474	1.7
105.07040	14.6
107.08598	52.6
109.06513	3.4
109.10159	10.8
111.08089	1.7
117.07009	3.5
117.35096	0.9
119.08582	13.9
121.10149	47.3
123.08049	2.0
123.11710	3.4
125.09621	1.9
129.07007	2.2
131.08597	6.5
133.10123	16.1
135.08105	2.2
135.11696	44.7
137.09627	2.8
141.72697	1.2
143.08577	3.6
145.10182	5.8
147.11705	10.8
149.09665	1.8
149.13263	36.1
157.10135	2.7
157.45741	1.0
159.11697	4.2
161.13263	8.9
163.11200	4.0
163.14825	11.4
165.12770	1.2
171.11765	3.1
173.13243	3.0
175.11197	1.9
175.14835	4.2
177.12766	1.2
177.16354	1.9
181.12256	1.4
185.13301	3.4
189.12741	2.1
193.39622	0.9
199.14847	2.7
203.14342	1.3
209.15410	2.1
213.16376	2.0
217.15994	1.4
217.19522	2.2
221.15356	1.5
223.16748	1.0
226.23309	0.9
231.17471	2.0
231.21082	1.7
235.16962	2.0
241.19498	6.9
249.18550	1.9
250.41740	0.9
259.20605	10.9
291.23187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01866	3.1
55.05513	17.8
57.03439	1.1
57.07075	2.8
65.03944	1.6
67.05508	42.6
69.03428	1.4
69.07072	17.9
69.60134	6.0
71.04999	1.3
71.08627	1.2
73.06555	1.6
73.97981	0.8
76.59139	0.8
77.03912	1.9
79.05495	74.2
81.03437	1.5
81.07060	49.5
83.04982	2.1
83.08625	10.2
84.72819	0.9
85.06546	3.3
91.05481	31.6
93.07047	100.0
95.04978	5.4
95.08608	32.1
97.06504	3.1
97.10205	5.0
99.08092	1.2
105.04515	2.6
105.07034	19.9
107.04997	2.3
107.08597	56.1
109.06485	2.8
109.10165	14.9
111.08058	1.4
113.17306	1.0
115.07554	1.3
117.07018	4.6
119.06174	0.9
119.08586	17.5
121.06503	1.4
121.10144	44.8
123.08080	2.5
123.11703	4.1
125.09606	1.2
129.07019	2.5
131.08580	7.3
133.10132	17.0
135.08060	3.7
135.11696	55.4
137.09583	2.5
139.11163	1.2
141.09100	0.9
143.08559	3.2
145.10202	4.9
147.11687	10.4
149.09607	4.2
149.13257	33.5
151.07553	1.2
151.11217	1.2
157.10094	2.7
159.11707	5.6
161.09726	1.8
161.13278	7.0
163.11201	3.9
163.14835	10.3
165.12738	1.8
171.11661	4.6
173.13281	2.3
175.04465	1.0
175.11221	2.8
175.14816	6.1
177.12740	2.2
177.16403	1.9
178.08261	1.0
181.12013	1.3
185.13225	4.1
189.12790	2.9
191.14357	1.1
199.14850	3.1
203.14308	1.6
207.13846	2.2
209.15346	1.8
213.16293	2.5
217.15845	1.2
217.19537	1.2
221.15440	1.6
231.21172	1.2
235.16986	2.6
241.19601	5.2
249.18451	2.1
259.20621	9.4
273.18616	1.9
291.19580	33.0
291.23178	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03944	3.7
55.01875	3.3
55.05261	1.9
55.05511	21.3
57.07077	2.2
65.03934	2.2
67.05507	41.4
69.03418	2.2
69.07071	17.8
69.43864	8.0
73.06551	1.5
77.03886	1.5
79.05494	72.7
81.03413	3.5
81.07057	55.7
83.04985	4.0
83.08625	11.4
85.06548	3.6
91.05482	32.2
93.07047	100.0
95.04972	8.0
95.08610	40.0
96.27547	1.2
97.06534	2.6
97.10165	5.1
105.04538	1.7
105.07037	20.9
105.45054	1.3
107.04959	5.1
107.08597	58.3
109.06522	5.8
109.10163	16.4
111.08089	1.8
117.07028	7.2
119.08581	15.7
121.06506	3.2
121.10146	50.2
121.23489	1.1
123.04433	1.2
123.08068	4.7
123.11674	3.2
125.09647	2.8
129.06993	3.8
131.08566	8.4
133.06516	2.0
133.10133	19.4
135.08119	6.8
135.11691	57.5
137.09634	3.4
141.13574	1.1
142.07845	1.3
143.08575	2.5
145.10104	9.0
147.08029	3.8
147.11700	11.4
149.09660	6.0
149.13261	36.6
151.07605	1.2
151.11197	2.4
157.10106	5.2
159.08090	1.4
159.11653	8.7
161.09593	3.7
161.13260	7.6
163.11172	4.1
163.14835	10.3
167.10666	1.4
167.14296	1.3
171.11696	4.7
173.13280	4.6
175.11189	2.2
175.14856	6.1
177.12744	4.4
179.10855	1.1
185.13284	4.3
187.48132	1.1
189.12740	2.0
195.13785	3.1
199.14754	2.1
203.14328	2.3
209.15448	1.8
213.16486	2.7
217.15947	2.1
217.19408	1.9
231.17392	2.1
235.16971	1.4
241.19498	6.2
245.18991	2.4
249.18379	1.5
259.20609	11.1
263.19977	2.7
273.18481	11.3
291.19592	31.1
291.23178	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	3.8
55.05509	11.5
56.96529	1.0
57.07074	2.6
67.05508	31.1
69.07076	14.4
69.13939	1.3
71.04987	1.6
71.08636	2.4
71.17201	2.1
77.03881	1.4
79.05496	52.4
80.82930	1.2
81.07056	35.2
83.04967	1.6
83.08615	8.0
85.06522	4.3
91.05489	20.5
93.07047	75.9
95.04970	5.0
95.08613	28.2
97.06525	3.0
97.10168	4.3
98.20634	1.2
99.08094	1.5
105.04543	1.4
105.07036	12.1
107.07871	2.6
107.08602	42.7
109.02746	1.4
109.06509	14.5
109.10169	12.2
111.08093	2.4
117.07009	4.0
119.08601	12.4
121.10151	37.4
123.08033	3.3
123.11695	4.0
125.09602	2.1
131.08562	4.3
133.10153	12.0
135.08075	2.6
135.11697	39.5
137.09616	2.7
143.08475	1.6
145.10123	4.3
147.11716	10.0
149.09641	3.8
149.13268	24.6
149.14445	0.9
157.10135	2.5
159.11711	3.4
161.13255	5.7
163.14871	8.3
165.12746	15.9
171.11734	2.8
173.13283	1.4
175.14851	4.1
177.12782	2.8
185.13277	3.5
189.12798	1.3
199.14760	1.5
203.14336	2.1
209.15356	1.3
213.16492	1.6
217.19482	2.1
231.21136	2.4
235.16908	5.0
241.19487	3.6
249.18425	1.8
259.20673	6.6
273.18579	2.4
291.23172	100.0
313.08667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	3.1
55.01673	0.7
55.01876	8.9
55.05269	1.3
55.05517	19.1
57.03446	4.2
59.05003	1.1
65.03929	1.5
67.05175	1.6
67.05510	23.1
69.03413	3.3
69.07073	9.8
69.41207	0.7
69.41504	7.2
70.06574	0.8
71.04974	2.8
72.75407	0.8
77.01511	0.8
79.05495	32.9
81.03419	6.1
81.07063	47.2
83.04997	4.8
83.08620	7.8
83.69572	0.8
85.02905	1.6
85.06531	1.5
91.05486	23.0
93.07047	22.8
95.04970	21.6
95.08046	1.5
95.08606	14.9
97.06517	5.4
97.10168	9.3
98.12753	1.0
102.09174	1.0
103.05457	2.0
105.03396	1.9
105.06381	1.7
105.07036	18.5
107.04954	11.8
107.08606	16.1
109.06528	10.8
109.10162	6.6
111.04482	2.1
111.08088	2.7
113.06012	0.9
115.05434	1.2
116.06229	1.0
117.07023	13.1
119.04965	1.6
119.08586	26.0
121.06512	11.7
121.10139	8.2
123.08083	14.5
123.11723	1.2
125.09644	7.0
128.06238	1.6
129.07007	6.7
130.07831	1.3
131.08572	11.3
133.06506	5.6
133.10139	6.8
135.08070	12.4
135.11696	2.7
137.09650	4.1
137.94994	0.9
142.07742	1.5
143.08595	6.9
145.06494	1.9
145.10144	17.2
147.08066	15.3
147.11688	2.5
149.09637	7.2
151.07559	1.9
153.09081	3.0
155.08582	1.1
157.06509	0.9
157.10156	5.6
159.08058	2.3
159.11731	4.7
161.09659	6.7
161.13277	1.4
163.11205	10.2
165.09125	3.4
167.08543	1.0
169.10184	1.0
171.10245	1.3
171.11684	3.1
173.09576	0.9
173.13264	1.1
175.11198	2.9
177.12817	1.3
185.13290	2.9
187.11217	1.3
189.11205	4.7
189.12737	1.8
191.10739	1.1
191.14276	1.5
193.12262	2.3
195.11661	1.0
199.14879	1.1
205.12230	1.0
207.13809	1.3
213.12778	1.4
213.16235	1.0
217.15857	1.6
221.11690	1.3
223.13274	4.6
227.17995	2.2
229.23343	1.2
235.13315	0.9
237.16412	1.4
245.19008	3.7
249.14897	7.1
255.17572	4.5
256.10147	0.9
263.19864	0.9
273.18497	30.6
291.19556	100.0
291.27124	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03951	1.1
55.01873	1.9
55.05515	5.9
55.52185	0.5
56.96575	0.6
57.03436	1.6
57.07072	1.1
59.05001	1.2
67.05510	6.8
69.03426	3.0
69.07076	10.6
70.03059	1.5
71.04984	2.3
79.05496	13.4
79.05965	0.8
81.03430	1.1
81.07063	12.0
83.04984	2.4
83.08633	3.7
85.06535	1.6
91.05485	9.3
93.07047	25.1
95.04976	2.8
95.08609	10.0
97.06535	3.8
97.08916	1.1
97.10172	1.8
98.20798	0.7
98.97600	0.9
105.07036	11.5
107.04968	6.2
107.08599	12.4
109.06522	16.7
109.10165	4.5
109.25670	0.4
111.04425	0.7
111.08084	1.3
111.11713	2.7
115.05495	0.5
117.06995	3.2
119.08592	6.3
119.91824	0.5
121.06521	1.9
121.10152	33.6
123.08064	3.8
123.11720	1.1
125.09628	3.3
129.07008	1.3
131.08577	4.5
133.06483	1.7
133.07573	0.7
133.10124	3.0
135.08070	7.8
135.11673	2.3
137.09642	3.5
139.11191	3.0
141.06995	0.6
142.07762	1.2
143.08568	2.1
145.10118	5.0
147.08035	2.6
147.11710	2.3
149.09621	14.3
149.10747	1.1
149.13254	1.1
151.07562	2.5
153.05397	0.8
155.08527	0.8
155.10628	0.7
156.09302	0.8
157.10104	4.1
159.08006	0.7
159.11705	1.6
161.09624	2.2
161.13286	0.7
163.11211	2.2
163.14961	0.5
167.10681	100.0
168.11159	0.5
169.10074	1.1
169.12251	0.9
171.11693	2.4
173.09586	1.6
173.11977	0.5
173.13196	2.7
175.11203	3.7
182.11046	0.6
185.13208	0.8
187.11176	0.6
187.14822	0.6
189.12785	2.1
189.16353	0.7
191.10641	4.0
191.14285	4.5
193.01489	0.6
195.11726	0.8
197.13239	2.4
199.11243	0.7
201.14830	0.8
207.13766	0.8
209.11662	0.7
211.14854	0.7
212.15445	0.5
213.14653	0.7
213.16466	1.1
215.14296	2.1
217.12291	1.1
217.15813	1.0
223.13344	0.8
224.72852	0.5
229.15819	0.7
231.17450	0.9
233.13300	0.4
233.15363	11.1
245.18950	1.2
247.21484	0.6
255.17491	3.1
273.18524	11.8
273.23193	1.3
282.49451	0.5
291.19522	21.9
291.24164	1.1
291.26907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	0.6
55.01876	1.5
55.05513	6.2
57.03433	0.3
59.04980	0.2
59.85182	0.2
67.05171	0.3
67.05509	4.0
68.70440	0.2
69.03427	1.1
69.07070	2.7
69.80671	1.0
71.04979	0.7
71.56031	0.2
79.05070	0.3
79.05500	5.4
81.03394	0.7
81.07059	5.0
83.04998	1.0
83.08623	3.3
84.63551	0.2
85.02804	0.2
85.06537	0.3
91.05483	5.3
93.06487	0.3
93.07053	4.8
94.04202	0.2
95.04964	2.0
95.08629	2.2
97.06523	0.7
97.10165	2.9
103.05472	0.3
105.07034	5.5
107.04967	1.9
107.08599	3.0
108.05669	0.3
109.06509	0.4
109.10142	0.7
111.08109	0.2
116.06225	0.5
117.07030	1.5
118.04133	0.2
119.04977	1.2
119.07795	0.3
119.08591	4.0
120.05719	0.5
121.06491	1.4
121.10160	1.4
123.08064	0.9
125.09621	1.3
129.07016	1.2
131.08598	2.1
133.06503	3.0
133.10126	1.0
134.07262	0.8
135.08061	1.1
135.11676	0.5
142.07761	0.4
143.08545	1.2
145.06496	0.3
145.10127	1.4
147.08054	2.7
147.11690	0.6
149.09605	0.9
149.13278	0.4
153.15442	0.2
157.10118	0.8
159.11696	0.5
161.09612	0.7
161.13274	0.3
162.10399	1.7
163.11201	0.7
165.09142	0.3
171.11652	0.5
175.11192	0.7
185.13277	0.3
223.13281	1.0
236.14063	0.2
245.19234	0.3
249.14882	1.8
259.20398	0.2
261.14905	0.5
262.15689	0.2
263.16550	0.2
273.18530	2.5
291.19550	100.0
292.19897	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
53.10082	0.2
55.01665	0.2
55.01880	1.7
55.05513	6.9
57.03414	0.7
57.03675	0.2
57.07051	0.3
59.05007	0.3
61.28086	0.2
65.03938	0.3
67.05505	4.1
69.03413	1.1
69.07069	3.0
69.77918	0.9
69.78345	0.4
71.04980	0.5
74.68659	0.2
77.03943	0.2
79.05492	6.0
81.03405	0.8
81.07056	5.0
83.04971	0.8
83.08620	2.6
85.02892	0.3
85.06528	0.3
91.05483	5.0
93.07045	4.9
95.04977	2.8
95.08601	2.2
97.02905	0.2
97.06519	0.6
97.10165	2.6
98.20796	0.2
105.03364	0.3
105.04520	0.2
105.07037	4.6
107.04955	2.4
107.08602	2.9
108.05781	0.3
109.06517	1.1
109.10152	1.0
110.85769	0.2
111.08062	0.4
115.05448	0.3
116.06203	0.4
117.07013	2.4
119.04937	1.2
119.08591	4.4
120.05713	0.5
121.06522	2.0
121.10112	1.1
123.08050	1.3
123.11680	0.2
125.09624	1.7
127.07561	0.2
128.06212	0.3
129.07018	1.2
130.07773	0.4
131.04944	0.3
131.08539	2.7
133.06493	2.7
133.10149	1.3
134.07272	0.8
135.08037	1.6
135.11668	0.7
137.09598	0.6
142.07726	0.3
143.08563	1.3
145.06387	0.3
145.10117	2.2
146.07254	0.2
147.08067	3.2
147.11728	0.6
148.08867	0.2
149.09647	1.3
153.09161	0.3
157.10133	0.9
159.08102	0.3
159.11682	0.5
161.09631	1.2
162.10387	1.2
163.11165	0.6
165.09106	0.6
171.11707	0.4
175.11212	0.9
189.12682	0.3
204.93639	0.2
221.11671	0.2
223.13313	1.7
245.18964	0.2
249.14909	2.7
255.17461	0.5
261.14880	0.3
262.15717	0.6
263.16211	0.3
273.18497	4.0
291.19547	100.0
292.19833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.11118	1.2
53.03937	3.8
54.11538	1.0
55.01878	5.3
55.05264	1.2
55.05513	13.9
56.96555	3.1
57.03435	1.7
57.07090	1.6
65.03930	2.8
67.05512	24.0
69.03436	2.1
69.07077	9.9
69.21091	11.9
70.63810	1.3
71.04993	2.6
79.05497	51.5
79.80035	1.2
81.03394	3.4
81.07061	99.6
83.04980	1.9
83.08611	4.8
85.06550	1.9
91.05486	26.6
93.07053	42.0
95.01294	1.3
95.04969	8.8
95.08606	16.4
97.06508	3.5
97.10172	4.8
97.12196	1.4
98.20725	2.7
103.05492	1.1
105.04553	1.2
105.07032	17.6
107.04958	7.9
107.08595	23.2
109.06525	100.0
109.10174	6.9
111.08092	1.7
111.11672	1.1
113.62514	1.1
115.05419	1.6
117.07034	10.1
119.08591	13.1
121.06506	4.4
121.10160	16.7
123.08051	4.4
123.11710	2.4
125.09563	2.2
128.06183	1.5
129.06992	5.9
131.08597	11.5
133.06490	4.7
133.10126	9.3
135.08072	8.6
135.11696	15.3
137.09586	1.4
143.08543	4.4
145.10115	11.0
147.08069	5.7
147.11656	4.0
149.09624	8.2
149.13248	9.2
151.07600	2.1
151.11122	1.4
155.08556	1.6
157.10103	6.2
159.11679	3.9
161.09677	6.1
161.13193	3.4
163.11168	5.2
163.14793	3.5
169.10130	1.3
171.11722	3.4
175.11098	1.4
177.12802	1.9
185.13370	1.9
189.12775	1.7
191.10590	1.2
191.14270	1.4
217.15862	2.9
227.09627	7.1
235.16785	1.4
245.10625	6.5
245.19096	1.7
255.17377	2.5
259.20596	3.0
273.18530	20.8
281.95688	1.2
291.19522	28.0
291.23148	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	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03949	3.0
55.01876	17.8
55.05515	9.5
57.03440	17.7
57.19370	0.7
58.15866	0.6
61.63140	0.6
63.77589	0.5
64.25426	0.6
65.03937	2.6
65.74394	0.6
67.05505	17.4
69.03418	2.7
69.07080	4.0
70.81211	1.4
71.04989	1.7
79.05498	42.1
81.03412	1.8
81.07065	19.5
83.04991	1.2
83.08611	5.0
85.06543	4.3
91.05487	29.2
93.07048	23.0
95.04973	5.6
95.08612	8.1
97.06541	2.3
97.10168	2.5
103.05441	1.0
105.04553	1.1
105.07035	18.6
106.04237	0.7
107.04969	10.1
107.08603	26.2
109.06525	66.5
109.10161	2.4
111.08107	1.2
113.06026	1.5
115.05470	2.5
116.06228	1.3
117.07030	14.9
119.04954	0.8
119.06065	0.9
119.08591	10.4
121.06510	3.9
121.10141	5.9
123.08062	2.6
124.16642	0.7
125.09639	0.9
128.06204	1.6
129.06996	7.1
130.07782	1.4
131.08574	15.4
133.06523	3.1
133.10165	5.2
135.08061	100.0
135.11665	4.4
137.09633	1.6
141.07005	1.2
141.40323	0.6
143.08580	7.4
145.06517	0.9
145.10133	8.7
147.08060	5.8
147.11707	1.8
149.09666	7.6
149.13344	1.6
155.08589	1.4
157.10162	7.3
159.08076	2.1
159.11681	5.0
161.09622	8.4
161.13275	1.0
162.10336	0.6
163.11211	3.0
169.10173	1.4
171.11694	3.9
173.13292	2.8
175.11211	3.3
175.14749	0.8
177.09166	0.9
177.12785	2.7
183.11740	2.6
185.13271	2.0
187.11232	1.1
187.14725	0.7
189.12721	1.4
195.11668	1.2
195.13751	1.6
199.11136	1.8
199.14835	3.9
201.12776	2.2
203.14262	0.9
209.13274	1.0
213.12738	0.9
217.15903	20.6
219.13866	2.3
227.17964	2.0
237.16438	1.5
245.19052	2.0
255.17377	3.6
273.15497	1.0
273.18494	25.6
291.19562	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03947	0.8
55.01875	2.9
55.05272	0.7
55.05515	10.2
57.03416	1.2
67.05508	7.3
69.03439	1.9
69.07069	3.6
70.81669	0.6
70.82005	0.8
71.04986	1.4
79.05069	0.7
79.05498	10.5
81.03403	1.5
81.07064	8.6
83.04967	1.2
83.08630	5.0
91.05487	7.7
93.07050	7.6
95.04976	3.3
95.08623	3.7
97.06518	0.9
97.10175	4.7
101.09624	0.4
103.05455	0.5
105.03326	0.4
105.07034	6.4
107.04964	5.1
107.08597	4.3
108.84974	0.3
109.06506	1.3
109.10155	1.7
111.08101	0.5
115.05473	0.7
116.06203	0.5
117.07038	4.2
119.04930	1.4
119.07791	0.6
119.08595	8.2
120.05702	0.7
121.06523	2.6
121.10151	2.7
123.08070	1.8
125.09634	3.7
129.06953	2.1
130.07797	0.9
131.08571	4.9
133.06485	2.7
133.10133	1.2
134.07335	0.6
135.08070	2.5
135.11711	1.1
137.09630	0.9
141.10867	0.4
143.08572	1.9
145.06511	0.4
145.10144	3.9
146.88971	0.4
147.08061	6.0
147.11662	0.6
149.09618	1.9
153.09143	0.6
157.10114	1.4
159.08096	0.5
159.11691	1.5
161.09612	1.6
162.10422	1.3
163.11176	1.2
165.09023	0.7
171.11546	0.8
175.11230	0.9
185.13370	0.6
189.11342	2.2
189.12822	0.7
195.11678	0.4
223.13336	1.9
224.28561	0.4
227.17993	0.7
235.13280	0.4
237.16530	0.4
245.18985	0.5
249.14899	2.0
255.17429	1.2
273.18509	9.1
291.19553	100.0
292.19702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05514	7.0
57.07071	3.2
59.05001	2.9
63.78410	1.1
67.05490	4.0
69.03432	2.8
69.07064	2.7
69.89099	1.1
71.00907	2.9
71.05000	3.2
79.05500	12.4
81.07059	9.3
83.04964	2.5
83.08630	6.6
85.06054	1.5
91.05470	5.6
93.07052	10.9
95.04961	4.7
95.08611	17.5
97.06569	5.8
103.48658	1.1
105.07037	11.0
107.04974	11.8
107.08601	8.1
109.06512	8.3
109.10153	3.8
111.08085	37.0
113.09645	2.2
117.07001	2.4
119.08591	9.6
120.30231	1.4
121.06509	3.4
121.10138	8.0
122.07255	1.8
123.08067	29.4
123.11713	1.3
125.09634	1.6
131.08542	7.5
133.06459	3.9
133.10126	6.7
135.08066	6.0
135.11694	3.2
137.09618	2.5
141.05482	1.4
143.08517	1.8
145.10123	4.5
147.08018	3.2
147.11658	6.4
149.09605	8.4
151.07545	100.0
155.10641	2.4
156.09398	2.3
157.10114	5.2
159.11664	2.1
161.09637	3.0
163.11205	4.3
171.11656	3.1
173.13252	5.4
174.10338	2.3
175.11188	5.3
177.09119	2.3
179.10681	5.0
181.12196	1.9
182.10986	1.3
189.12752	25.4
191.14317	14.2
192.11456	3.0
197.11705	17.5
197.13252	2.2
207.13806	61.2
211.13274	1.8
213.16327	2.8
215.14357	2.8
217.12277	2.1
231.06567	1.2
231.17354	2.1
233.15370	44.5
235.13187	1.9
249.18661	3.0
255.17444	4.7
264.26324	1.4
273.18445	9.0
291.19543	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05501	5.7
57.03415	1.8
57.07078	1.8
59.05003	3.0
67.05506	5.9
69.03423	2.6
69.07066	2.0
69.90689	3.9
69.91113	2.5
71.05009	3.0
79.05493	7.4
81.07053	8.1
83.04962	3.3
83.08615	2.5
85.06572	2.9
91.05475	6.7
93.07046	12.4
95.04958	3.6
95.08617	13.4
97.06528	3.9
98.21408	2.3
105.07033	13.5
107.04940	6.7
107.08604	7.6
109.06509	9.5
109.10158	3.7
111.04454	1.6
111.08076	27.0
117.07012	3.1
119.08581	10.7
121.06512	2.2
121.10121	6.2
123.08078	36.7
125.09652	1.5
129.07001	1.6
130.07796	1.5
131.08557	8.5
133.06505	4.2
133.10138	9.8
135.08051	8.7
135.11702	3.4
137.09619	5.9
141.05516	2.1
143.08563	3.5
145.10136	15.6
147.08043	5.2
147.11682	6.6
149.09601	8.3
151.07544	100.0
155.10657	2.3
156.09396	1.8
157.10139	5.3
159.08015	1.4
159.11697	4.9
161.09601	6.1
161.13147	2.0
163.11206	3.6
171.11670	3.9
173.13275	7.3
174.10373	1.5
175.11234	4.8
177.09116	1.6
177.12770	3.3
179.10696	5.8
181.12193	1.9
185.13322	3.1
187.11183	4.4
189.12744	29.2
191.10614	1.5
191.14369	6.8
192.11464	3.3
197.11726	16.6
197.13275	2.2
197.17506	1.4
203.14438	2.4
207.13806	72.5
211.14841	1.4
213.16367	2.9
215.14340	6.3
217.12256	2.6
231.17455	3.0
233.15388	22.4
235.13382	1.5
249.18579	1.4
255.17375	3.9
273.18460	11.6
291.19562	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	5.6
55.01857	3.7
55.05513	21.6
57.03416	1.6
57.07063	3.1
65.03948	2.8
67.05508	45.1
68.48089	1.2
69.03436	1.6
69.07072	16.9
71.04974	1.9
73.06570	1.3
75.88678	1.4
77.03918	2.2
79.05495	69.2
81.07059	51.7
83.04989	3.1
83.08625	10.7
85.06540	4.5
89.90232	1.5
91.04965	2.3
91.05482	30.3
91.20892	1.4
93.07045	100.0
95.04974	7.1
95.08053	2.5
95.08609	32.6
97.06514	4.0
97.10156	5.5
97.29321	1.3
99.08063	1.5
105.04528	1.7
105.07041	20.4
107.04948	4.2
107.08597	58.2
109.06535	6.9
109.10165	18.6
111.08091	4.7
117.07022	3.2
119.08574	19.1
121.06503	4.3
121.09327	3.0
121.10149	47.8
123.04460	1.5
123.08047	2.5
123.11700	3.6
125.09636	1.7
128.06244	1.5
129.07008	5.2
131.08626	6.7
133.06471	2.7
133.10132	14.2
135.08043	5.4
135.11693	50.2
137.05902	1.7
137.09618	1.6
137.13182	1.7
139.44347	1.4
143.08556	4.1
145.10164	8.3
147.08028	3.6
147.11699	11.4
149.09596	5.2
149.13258	30.6
151.11153	2.3
157.10056	4.3
159.11691	5.0
161.09604	4.8
161.13268	10.2
163.11180	3.4
163.14813	8.3
171.11707	5.9
173.13223	3.3
175.11166	4.5
175.14787	5.5
177.12773	3.1
185.13188	3.7
186.87140	1.3
189.12743	3.5
191.14249	1.4
199.14792	3.2
203.14372	1.5
209.15359	1.4
212.36772	1.5
213.16380	1.8
217.15924	1.5
217.19591	1.5
221.15277	2.3
231.17291	1.5
235.16957	2.7
241.19460	6.0
245.19028	3.5
249.18521	2.3
253.15375	1.3
259.20477	11.1
263.20029	3.9
273.18472	13.8
291.16479	2.8
291.19543	29.8
291.23151	68.9
314.57965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1704
Annotation	CL 22T
Peak:m/z	Relative Intensity
53.03946	0.4
55.01869	0.9
55.05510	2.3
56.96556	1.6
57.03428	0.5
64.06753	0.4
65.03938	0.5
67.05500	3.1
69.03429	0.7
69.07058	1.1
70.06614	2.3
70.27500	1.5
71.04977	0.9
72.04518	18.9
72.08154	0.4
79.05492	3.1
80.05010	1.1
81.03427	0.9
81.07062	3.6
82.06583	1.1
83.04985	0.7
83.08592	1.2
84.04490	0.9
84.08138	1.7
85.06519	0.9
88.03981	0.9
91.05501	2.4
93.07047	3.6
94.06573	1.1
95.04952	0.4
95.08604	2.0
96.08138	1.2
97.02940	0.6
97.06538	0.6
97.08910	7.7
98.97596	2.0
98.98457	0.6
100.11253	1.2
105.07029	2.6
106.06573	0.6
107.08608	2.7
109.02863	0.8
109.06510	1.2
109.10155	1.1
110.06069	0.7
110.09680	8.6
110.97591	1.0
111.10447	0.9
115.05452	0.4
116.03461	0.8
116.10723	1.8
116.98630	0.8
117.07037	0.9
117.11095	0.6
118.06554	10.0
119.08588	1.0
120.08112	0.9
121.06495	0.7
121.10128	1.2
123.08080	0.5
124.11240	0.7
127.60736	0.4
128.98563	0.8
129.06963	0.4
130.06544	0.4
131.08588	1.3
132.08083	3.6
132.10205	1.2
133.08842	1.3
133.10158	1.7
134.09669	1.7
135.08049	3.1
135.11668	1.4
136.11270	0.5
137.09570	0.4
143.08516	0.5
144.08098	3.7
145.10124	0.9
146.09628	3.5
147.04411	0.9
147.11671	0.8
149.13214	0.9
151.11180	0.7
152.14241	0.5
157.10039	0.4
158.09645	1.7
158.99706	0.6
159.10461	0.7
163.07521	1.0
166.15945	0.8
170.99792	0.4
171.09085	0.5
172.11255	1.3
176.14352	76.4
178.15872	1.3
182.15416	0.6
187.08771	0.9
188.06985	0.5
189.00702	1.0
189.10310	0.9
189.12801	0.5
199.18279	0.6
202.15912	29.8
203.11806	1.2
204.66476	0.4
206.19232	0.6
217.13403	0.7
217.15639	0.5
218.66158	0.6
221.20146	2.2
223.21661	0.8
229.17010	4.2
242.25896	0.4
245.16501	11.2
246.14905	1.6
247.09370	0.5
247.18074	25.7
247.21727	6.0
263.24759	0.5
273.15991	7.0
273.18552	1.1
273.23260	16.3
274.14374	32.2
291.17023	100.0
291.24207	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	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01879	4.6
55.05516	10.1
56.96564	1.0
57.03437	6.8
57.07076	2.4
59.04987	3.1
61.02932	4.2
63.24510	0.8
65.03941	1.2
67.05506	12.7
69.03426	2.8
69.07071	44.8
70.06589	1.1
71.04991	3.8
71.08338	1.4
77.03916	1.0
79.05063	1.5
79.05495	23.9
81.03432	1.3
81.07061	27.3
83.04969	1.7
83.08620	5.2
85.02900	1.1
85.06538	4.0
87.08114	1.6
89.03911	6.1
91.05477	7.7
93.07045	11.6
95.04987	3.8
95.08610	21.2
97.06535	95.2
97.08919	2.0
97.10172	2.3
98.69917	0.9
98.97578	3.2
98.98389	0.9
99.08092	1.3
103.05460	2.1
103.80269	0.8
105.03392	2.0
105.07036	6.4
107.04975	7.3
107.08589	11.1
109.06511	3.2
109.10168	9.8
110.09689	2.4
111.08087	7.1
111.11709	1.8
112.08869	1.1
115.05482	1.3
117.03376	6.3
117.07024	3.0
119.08559	5.3
121.06506	1.5
121.10151	5.0
123.08118	1.5
123.11717	7.0
125.09634	1.2
128.06256	1.1
129.06987	2.1
129.09120	3.1
131.04907	1.8
131.08560	2.5
133.02855	5.9
133.10135	3.0
135.04395	11.6
135.08054	4.6
135.11694	8.0
137.09599	1.1
137.13232	3.2
138.34607	0.8
139.11150	1.0
141.06987	1.1
143.08551	2.0
145.02863	8.5
145.06462	1.4
145.10129	2.2
147.04419	2.1
147.08072	1.0
147.11684	3.2
149.09653	3.8
149.13278	4.3
151.07561	1.0
151.14792	1.3
152.06252	1.0
153.12799	2.0
157.04059	0.8
157.06488	1.3
157.10179	1.2
159.04428	9.6
159.08093	1.2
159.11717	1.6
161.02342	29.9
161.05954	1.1
161.09662	1.7
161.13266	2.0
162.03041	0.9
163.03912	61.8
163.14827	2.5
165.09152	0.8
171.04474	1.0
171.08076	0.8
173.02353	72.0
175.03935	1.1
175.11240	0.9
175.14842	1.0
177.05501	2.1
177.16422	2.3
179.03310	1.2
185.05966	4.1
186.03191	1.6
187.03943	2.4
187.07544	2.2
189.00626	1.1
191.03397	21.8
195.08083	1.3
197.06038	1.0
199.03928	1.4
199.07587	1.0
203.17833	1.0
205.04984	2.4
213.05493	1.3
213.09062	1.6
215.07031	100.0
217.05031	2.3
229.08716	1.6
233.08081	16.5
241.08604	15.6
247.13370	0.9
259.09689	25.6
273.11142	4.8
273.18573	5.0
273.23148	3.7
273.25919	2.3
291.12744	8.2
291.16019	2.6
291.19504	15.5
291.23923	3.0
291.26865	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	291.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01865	2.4
55.05512	4.2
57.03442	5.2
58.10088	0.8
59.05003	1.9
59.87954	0.7
61.02930	3.7
65.03934	0.8
67.05507	4.5
69.03415	1.9
69.07070	30.9
70.82108	1.3
71.04996	1.3
77.03912	0.8
79.05071	1.2
79.05499	17.2
81.07067	6.0
83.04979	0.7
85.06536	2.2
87.08104	1.8
89.03920	6.1
91.05476	3.1
93.07031	2.2
95.04965	2.4
95.08597	2.9
97.06536	85.7
97.08895	1.2
99.08097	0.7
103.05444	1.5
105.03375	1.3
105.07035	1.6
107.04955	2.2
107.08584	2.4
109.06509	1.0
109.10152	1.7
110.09695	1.5
110.93587	0.7
111.08092	3.3
115.05483	0.7
117.03380	8.9
119.04913	0.8
121.10146	1.5
129.09091	4.1
131.04947	3.6
131.08530	1.9
133.02881	5.5
135.04410	10.7
135.11705	1.3
145.02850	7.8
147.04396	1.5
149.09508	0.8
157.06462	1.9
159.04424	9.8
159.08026	1.8
161.00974	0.8
161.02348	31.2
163.03906	54.2
171.04509	0.9
173.02353	63.7
177.05432	1.3
179.03409	1.5
185.05978	5.6
186.03030	1.2
187.03928	1.0
187.07529	1.7
191.03391	20.6
195.07994	0.8
197.06075	0.8
198.06868	0.9
199.03886	0.8
204.04172	1.2
205.04996	2.3
213.09103	2.4
215.07034	100.0
217.04982	1.8
219.06435	0.9
223.07518	0.9
229.08672	1.0
233.08084	17.7
236.41257	0.8
241.08617	11.7
247.21867	0.9
248.08226	0.7
259.09671	23.5
267.62515	0.9
273.11322	3.6
273.18491	1.4
273.23236	2.4
291.12500	7.4
291.19531	2.0
291.24084	2.0
291.27023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2116
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03951	0.2
55.01861	0.5
55.05515	1.5
55.65137	0.3
56.96561	0.7
57.03423	0.7
57.07065	1.1
59.04995	0.9
67.05518	1.7
68.05003	0.3
68.05809	0.3
68.99805	0.2
69.03432	0.6
69.07068	4.1
69.20879	1.2
69.21310	1.3
70.06599	2.3
71.04987	0.5
71.08624	0.7
73.06564	2.4
79.05504	1.3
80.41357	0.2
81.03420	1.2
81.07065	2.0
83.08627	0.6
84.04053	0.3
84.04514	5.6
84.08126	0.3
85.02904	1.0
85.10165	0.2
87.00821	0.4
87.04456	0.3
88.07640	2.4
91.05486	1.4
93.07018	1.4
93.28269	0.2
95.04948	0.6
95.08623	1.4
97.02867	0.4
97.06512	0.4
97.10188	0.4
98.06015	0.3
98.21460	0.5
98.50769	0.3
98.97582	0.8
103.03951	0.7
105.07046	1.2
106.08692	0.4
107.04964	1.0
107.08593	0.7
109.02871	0.4
109.06512	0.3
109.10154	1.4
114.09159	0.8
115.59365	0.2
117.06995	0.6
117.95197	0.2
118.06551	12.7
119.07346	0.4
119.08563	1.0
120.08096	0.3
120.08887	0.3
121.06481	0.5
121.10140	0.6
123.08107	0.3
126.05521	1.0
129.06992	0.3
131.08568	0.6
132.08090	4.7
132.10213	3.2
133.08864	2.2
133.10066	0.6
134.09674	1.0
135.08032	0.6
135.11697	0.4
135.97772	0.3
143.10829	0.3
145.10030	0.6
146.09642	3.6
147.08028	0.3
147.10437	0.5
148.08322	0.3
150.11278	2.7
155.10724	0.3
158.99681	0.4
159.08130	0.3
159.11697	0.7
160.11224	0.5
161.09639	0.3
167.51155	0.3
168.06541	0.4
169.10110	0.3
173.11720	1.4
176.14354	67.9
177.00722	0.4
177.14648	0.3
186.07635	0.3
189.03972	0.3
192.93721	1.2
209.01378	0.2
216.13879	0.4
223.13301	1.8
228.23209	0.4
232.00195	0.2
234.14874	0.3
237.14804	0.4
240.71634	0.3
246.14804	0.7
246.24254	1.0
267.08966	0.4
273.18616	0.3
290.21164	100.0
290.26401	15.6
291.19241	0.7
291.26822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
50.48118	0.2
51.57154	0.2
53.64007	0.2
55.01871	0.8
55.05511	0.7
55.65158	0.3
57.07079	0.3
67.05512	0.6
69.07079	2.1
70.06590	0.4
70.20837	0.6
70.21194	0.5
73.02925	2.4
73.06562	1.7
78.45994	0.3
79.05490	0.4
81.07054	0.5
84.04501	0.6
88.07651	0.5
91.05498	0.5
93.07040	0.4
99.64160	0.2
107.08585	0.3
108.18869	0.3
109.10197	0.2
118.06551	9.2
119.07372	0.4
119.08658	0.3
132.08089	2.7
132.10240	0.3
133.08917	1.2
134.09660	0.8
135.08061	0.3
146.09644	2.6
147.10455	0.6
148.11169	0.3
170.01270	0.3
176.14357	38.5
177.14700	0.4
182.45857	0.3
202.15930	0.5
210.77440	0.3
223.13382	0.4
232.13333	0.9
246.14961	1.1
247.15808	0.5
260.16385	0.6
290.21149	100.0
291.21515	0.9
302.03479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1752
Annotation	Lycoramine
Peak:m/z	Relative Intensity
55.05518	1.4
56.05037	4.2
56.96571	4.9
57.07073	3.1
58.06598	1.8
60.04524	0.7
65.03935	1.1
66.45531	0.4
67.05510	9.1
69.07069	4.0
69.59281	1.4
69.59702	1.8
70.06593	0.7
71.08633	1.2
71.39113	0.5
74.06087	4.6
79.05499	3.5
81.07072	2.7
82.06576	3.3
83.04982	1.0
83.08625	0.8
85.10214	0.6
86.06059	0.9
88.07635	14.5
91.05495	1.6
93.03407	1.5
93.07050	4.5
94.20195	0.6
95.08624	1.7
97.06551	1.7
105.07040	1.0
107.08601	3.6
109.10165	1.1
110.06051	33.0
111.04448	8.0
118.08654	2.6
119.08593	0.7
122.08166	2.8
123.04455	1.3
133.10150	1.2
134.10564	0.5
135.11673	4.6
137.05980	2.3
138.05511	100.0
145.06473	0.8
153.12772	1.0
159.03395	0.7
160.08278	0.6
163.07573	1.3
175.07585	0.7
178.19171	0.5
192.35309	0.6
197.12799	0.9
212.15205	0.9
226.11163	18.1
228.23288	1.0
230.16170	1.3
232.88205	0.5
242.24797	15.0
242.27226	1.0
244.12230	7.9
249.12848	1.4
267.09015	2.3
267.13657	1.7
285.10159	1.1
290.17749	6.9
290.21667	1.6
290.26907	41.3
291.19748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90579	0.8
55.01867	1.2
55.05499	2.6
56.05027	1.9
56.96550	1.0
58.06580	0.9
60.04512	2.0
62.06090	16.3
66.86618	0.6
67.05508	4.6
69.07053	2.1
70.06591	6.2
70.80298	1.5
71.04987	1.6
72.04220	0.7
72.04524	8.1
72.08144	1.3
72.36197	0.8
74.06068	1.1
75.22505	0.7
79.05497	4.6
80.04996	2.4
81.03402	3.1
81.07068	9.9
82.06568	1.7
83.04977	1.8
83.08611	1.3
84.08101	1.2
86.06058	2.3
88.07611	2.9
91.05469	2.6
93.07025	3.1
94.06520	1.5
95.04942	1.1
95.08614	3.8
96.08125	1.1
97.06519	2.3
97.10153	1.0
98.06078	4.7
100.07616	4.9
103.05465	0.8
105.07047	2.3
107.08573	2.8
108.08095	0.9
111.08065	1.0
112.07587	2.4
114.05509	0.7
114.09151	0.9
116.07112	4.5
119.08530	1.8
121.10126	2.3
123.08081	0.8
123.11689	0.9
124.07579	1.3
125.09660	1.2
126.09191	0.9
131.08572	1.6
133.10155	1.3
138.12770	2.2
147.11703	1.4
149.09554	1.9
150.53738	0.7
157.10139	0.9
175.11206	1.7
182.15407	2.8
192.13820	1.1
193.12228	3.0
198.14876	1.0
208.17088	1.0
208.51010	0.8
210.14891	24.8
211.13306	13.1
226.17995	3.4
228.15953	53.0
236.16365	2.2
244.19095	3.4
246.17021	11.9
254.17558	8.5
265.00848	0.9
272.18567	100.0
290.19708	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	289.2163
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03947	0.8
53.56989	0.8
55.05270	0.9
55.05516	15.7
59.04989	1.9
65.03934	1.2
67.05183	1.1
67.05510	18.1
69.07078	13.3
69.44749	3.8
69.45177	2.7
70.21215	0.8
73.06557	1.4
79.05497	14.3
81.07063	22.9
83.04978	1.0
83.08616	5.4
85.06560	4.1
85.06972	0.8
91.05483	42.5
93.07057	15.9
95.04955	1.3
95.08616	15.6
97.06551	1.7
97.10170	1.9
103.05447	1.5
105.07040	69.0
107.08597	11.4
109.06494	1.1
109.10174	5.1
115.05447	0.8
115.74844	0.8
117.07033	12.7
119.08589	47.7
121.10138	6.5
123.08124	1.6
123.11673	0.8
129.07002	2.4
131.08578	19.7
133.10138	48.6
135.08055	1.6
135.11725	4.3
141.07033	1.5
143.08554	3.1
145.10149	15.6
147.11696	24.8
149.09602	1.8
149.13257	2.1
155.08589	1.3
157.10126	3.6
159.11711	15.1
161.09639	1.3
161.13271	10.8
169.10049	2.0
171.11707	3.6
173.13287	10.1
175.11127	1.4
175.14885	1.3
183.11696	3.1
185.13315	1.6
187.11172	1.2
187.14861	1.3
197.13286	3.3
201.12801	2.8
211.14868	1.2
213.16461	1.9
215.14413	1.3
215.17976	3.8
218.78239	0.8
229.19537	2.3
239.17995	6.1
257.19009	10.8
289.21637	100.0
290.22122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03943	1.0
55.01868	1.0
55.05511	24.8
57.07070	0.8
59.04992	1.3
65.03928	0.8
67.05502	14.5
69.07070	9.3
71.41230	1.0
73.06537	1.9
79.05061	1.2
79.05495	14.2
81.07056	19.1
83.04961	1.1
83.08620	9.1
85.06534	1.0
91.05484	42.2
93.07043	12.4
95.04996	1.0
95.08598	9.6
97.06500	1.0
97.10178	8.3
99.08105	0.7
101.97318	0.7
103.05473	1.6
105.07032	86.8
107.08583	8.0
109.06491	0.9
109.10173	3.9
111.11749	0.7
115.05446	0.9
117.07019	8.9
118.07751	0.8
119.08582	35.9
121.10140	3.2
123.08042	0.9
125.09613	4.9
128.06242	0.9
129.06969	2.8
130.07730	1.0
131.08563	15.3
133.10132	47.2
135.08070	1.1
135.11682	2.6
137.09749	0.8
141.06967	1.6
141.20355	0.7
143.08578	5.5
145.10124	47.8
147.11690	56.9
149.09584	0.8
155.08554	2.8
157.10117	3.9
159.11696	10.8
159.95778	0.7
160.12463	1.3
161.09633	0.9
161.13272	5.4
163.11119	1.2
167.55296	0.7
169.10123	2.3
171.11700	10.1
173.09766	1.0
173.13248	4.8
175.11118	0.8
175.14900	0.9
183.11676	4.5
185.13277	2.3
187.14769	1.0
197.13301	5.2
201.12729	1.2
207.13933	1.0
211.14819	1.3
215.17885	0.8
229.15909	1.2
229.19498	0.9
239.17938	14.6
247.17018	0.8
257.19016	51.8
273.08508	0.7
289.21619	100.0
294.33887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	0.8
55.05272	0.8
55.05514	12.1
59.04990	1.6
65.03929	1.1
67.05170	1.1
67.05505	13.8
69.06729	0.8
69.07071	11.2
70.68099	0.7
70.68448	2.4
73.06561	1.0
79.05063	1.0
79.05495	14.0
81.07063	17.7
83.04964	1.1
83.08637	4.9
84.08932	0.6
85.06544	2.7
90.49176	0.7
91.05485	35.5
93.07048	13.6
95.04967	1.6
95.08059	1.2
95.08613	14.0
97.06545	1.7
97.10172	0.9
99.08083	0.9
101.06040	0.8
103.05447	1.8
104.12399	0.8
105.07035	52.6
107.08589	8.3
109.06474	1.2
109.10140	4.8
115.05411	1.0
117.07029	11.9
119.08588	46.5
121.10148	5.6
123.11674	1.1
129.07010	3.1
131.08574	17.7
131.75572	0.7
133.03473	1.7
133.10133	37.7
135.11711	2.4
141.07027	1.3
143.08563	2.5
145.09036	1.3
145.10129	14.7
147.11691	22.8
149.09639	1.4
149.13261	1.1
155.08620	1.3
157.10109	3.9
159.08153	0.9
159.10448	1.2
159.11700	14.3
161.09642	0.8
161.13266	10.1
163.11209	0.9
169.10106	2.6
171.11694	3.5
173.13266	11.7
174.14107	0.8
175.14786	1.8
177.12662	1.0
183.11729	3.3
185.13295	1.1
187.11237	1.1
187.14801	1.1
189.12715	0.9
192.35637	0.9
197.13281	2.8
201.12784	2.0
207.13809	0.7
211.14830	1.5
213.16409	0.8
215.14323	1.3
215.17960	3.1
229.19518	1.5
239.17970	7.0
257.18979	11.5
289.21625	100.0
290.22040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.37791	0.6
52.15518	0.7
52.67667	0.6
53.03929	0.7
54.03275	0.5
55.01870	1.1
55.05267	1.3
55.05515	16.1
57.07071	0.8
59.04981	1.0
65.03938	0.6
67.05508	14.7
69.07073	9.1
70.84943	1.5
71.04975	1.0
73.06548	1.4
79.05499	15.2
81.07060	17.1
83.04986	0.9
83.08620	7.5
85.06531	2.7
91.05486	42.2
93.07047	11.8
95.04963	1.3
95.08048	0.9
95.08612	10.3
97.06545	1.4
97.10168	5.6
99.08094	1.1
103.05478	1.5
105.07035	67.7
107.04983	0.8
107.08595	9.2
109.06532	0.8
109.10170	4.2
111.08044	0.7
117.07016	11.3
119.08586	38.1
121.10233	4.2
123.11718	0.8
125.09644	3.1
128.06210	1.3
129.06987	2.5
131.08563	15.7
132.09373	0.9
133.10133	42.2
135.08049	1.7
135.11670	2.6
137.09557	0.7
141.06975	1.1
143.08577	4.5
145.06497	1.0
145.10129	26.8
146.10942	0.8
147.08051	1.1
147.11694	32.1
149.09587	1.5
155.08546	1.6
157.10132	4.3
159.08115	1.1
159.11700	12.1
161.09587	1.5
161.13310	5.0
163.11137	1.2
169.10118	2.1
171.11681	5.6
173.13258	8.2
175.11195	1.6
175.14827	1.5
183.11720	3.7
185.13252	1.5
187.11223	0.8
187.14874	1.3
189.12759	0.7
197.13254	4.3
201.12698	1.0
211.14787	0.9
215.14331	1.0
215.17911	2.4
219.13889	0.6
229.15970	0.6
229.19566	1.5
239.17946	7.2
257.19022	25.4
271.16919	1.9
289.18277	5.9
289.21609	100.0
290.22009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Estriol
Peak:m/z	Relative Intensity
52.29579	0.7
53.03968	1.1
53.73124	0.7
55.01882	3.2
55.05517	11.8
57.03424	1.1
57.07069	0.8
63.82703	0.7
67.05506	7.7
69.07055	4.1
70.06626	0.8
70.73441	1.1
70.73795	1.6
71.04990	1.5
77.03906	1.2
79.05497	10.7
81.07065	9.4
83.04985	1.7
83.08633	7.3
85.06550	1.3
88.07636	1.4
91.05483	24.6
93.07052	8.1
95.04971	1.3
95.08614	4.9
97.10184	3.0
103.05459	2.2
105.07031	14.0
106.08719	0.9
107.04973	1.8
107.08570	5.1
109.06534	1.7
109.10178	3.7
111.08090	3.1
115.05458	2.3
116.32458	0.7
117.07025	14.1
119.04935	3.5
119.08585	100.0
119.43353	0.7
121.06557	1.1
121.10169	5.0
123.08099	1.9
125.09634	1.6
127.03933	1.9
128.06229	2.0
129.07016	7.0
131.04961	1.5
131.08572	6.7
132.05643	1.0
133.06502	8.2
133.10132	8.8
135.08057	16.3
137.09651	1.7
141.06998	1.7
142.07758	1.1
143.08551	3.2
144.05688	3.5
145.06485	3.3
145.10141	10.3
146.07292	1.0
147.08052	40.1
147.11664	2.7
149.05981	2.0
149.09644	2.7
154.07835	1.0
155.08618	1.8
157.06543	1.2
157.10132	7.8
159.08058	84.1
159.11633	3.6
161.09631	7.3
161.13251	1.1
163.07582	1.8
169.10109	5.8
171.11656	2.4
173.09630	13.4
173.13277	0.8
175.07510	2.6
175.11182	1.2
181.10127	1.0
183.11673	2.5
185.09599	1.9
185.13152	1.5
187.11194	1.6
189.12590	1.1
197.13190	1.6
199.11174	0.9
207.11627	1.2
209.13274	1.1
211.11334	1.1
211.14868	1.0
225.12738	1.3
225.16348	2.9
226.11470	1.3
227.14223	0.9
230.10767	0.9
235.14798	2.2
243.17416	2.9
244.12555	1.2
253.15897	10.9
257.18866	0.9
259.14761	2.1
261.18530	1.3
271.16937	41.9
274.17203	1.0
289.17896	77.0
289.21552	3.0
289.29199	6.7
290.26743	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	289.1797
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
50.47400	0.7
53.03939	2.7
55.01878	4.5
55.05516	16.2
57.03150	0.9
57.03439	17.0
57.07072	1.2
65.03947	1.3
67.05169	1.4
67.05511	20.6
69.03423	2.8
69.07078	10.4
71.04986	2.1
71.07785	1.0
71.08125	1.7
73.06552	1.7
79.05499	19.6
79.27150	0.8
81.03424	3.0
81.07063	19.8
83.04987	25.5
83.08620	3.9
85.06546	3.5
91.05489	30.9
93.07054	18.2
95.04963	6.6
95.08616	14.4
97.06537	3.7
97.10168	1.8
99.04457	6.0
103.05458	2.5
105.07039	30.2
107.04966	13.4
107.08595	9.8
108.05800	0.8
109.06515	8.7
109.10168	5.5
111.04449	7.2
111.08082	2.4
113.06036	1.4
115.05486	0.9
117.07027	11.5
119.04899	1.0
119.08589	21.3
121.06498	4.9
121.10184	5.4
123.04426	1.3
123.08060	2.7
123.11737	1.5
125.06000	5.8
125.09683	1.3
127.03944	2.1
128.06250	2.6
129.07022	5.7
131.04959	0.9
131.08575	14.2
133.06517	5.5
133.10135	15.4
135.08063	9.4
135.11711	3.3
137.05989	2.5
137.09669	1.6
141.06989	1.9
142.07718	1.0
143.08582	4.3
145.06483	3.9
145.10133	11.8
147.08051	7.9
147.11705	9.6
149.05983	2.1
149.09634	3.0
149.13283	1.7
151.07570	2.7
153.09178	0.8
155.08548	3.3
157.10161	3.8
159.08057	7.4
159.11714	8.7
161.09657	7.6
161.13293	4.3
163.07555	2.7
163.11201	3.7
165.09218	1.4
169.10156	4.2
171.08044	0.9
171.10336	1.0
171.11671	5.3
172.23726	0.8
173.09604	4.3
173.13263	6.9
175.11143	3.7
177.09122	2.5
177.12772	7.4
179.07124	0.8
183.11743	3.3
185.09563	1.2
185.13322	1.0
187.11209	3.1
187.14812	2.6
189.09137	1.0
189.12749	2.3
197.13275	2.7
199.11171	2.0
201.12759	1.0
205.15936	3.3
211.11278	1.0
211.14813	2.3
215.14281	4.9
215.17937	2.4
217.12251	1.0
225.16530	1.1
229.15826	1.0
233.15385	14.0
239.17986	1.4
243.17381	5.7
253.15868	3.7
257.19016	4.6
261.18506	14.4
271.16968	11.2
271.20032	1.0
289.17938	100.0
289.21597	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	289.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03933	2.6
55.01881	3.8
55.05272	0.8
55.05514	10.3
56.96556	0.9
57.03437	18.1
57.07061	1.6
59.04993	0.4
65.03932	0.9
67.05502	12.8
67.55010	0.5
69.03416	1.4
69.06721	0.6
69.07070	8.5
70.68658	1.4
71.04981	2.2
77.03917	0.7
79.05061	0.8
79.05496	13.4
80.05007	0.6
81.02975	0.6
81.03423	5.3
81.05785	0.6
81.07059	19.3
83.04988	3.4
83.08616	4.8
85.02919	0.7
85.06557	3.6
91.05479	20.6
92.06287	0.6
93.07047	17.1
94.06561	1.5
95.04976	9.2
95.08613	14.1
96.08131	1.9
97.02875	1.0
97.06533	3.6
97.10173	3.5
98.97562	1.2
99.04444	0.9
99.08090	1.1
103.05466	1.4
104.05013	0.9
105.03416	0.5
105.07033	13.8
106.06554	1.7
107.04959	50.7
107.08598	11.7
108.08119	0.8
109.02842	0.6
109.06524	30.9
109.10153	8.4
111.04465	0.5
111.08057	1.3
111.11674	0.8
113.06012	7.4
115.05473	2.0
116.04966	1.2
116.06300	0.6
116.98605	0.6
117.05730	0.7
117.07020	7.2
118.06531	5.0
119.04916	2.4
119.07287	0.8
119.08584	14.2
120.08109	13.0
121.02831	0.7
121.06508	8.7
121.10149	7.3
121.11006	0.6
122.09681	1.2
123.04453	1.0
123.08083	5.1
123.11736	3.6
124.07601	11.9
125.09623	1.4
126.09158	1.0
127.03915	1.2
127.11204	0.5
128.06212	2.4
129.07010	5.0
131.04922	0.9
131.08582	6.1
132.05696	0.9
133.06500	8.7
133.10133	6.3
134.06012	6.4
135.04388	0.5
135.07010	0.3
135.08054	8.8
135.11688	4.2
136.07594	6.0
137.06015	0.7
137.09621	2.3
137.13243	2.0
138.05505	2.5
138.09198	0.6
139.11215	0.9
141.06995	1.8
142.07805	0.9
143.08565	4.2
144.05746	1.1
145.06447	3.6
145.10123	5.8
146.05998	5.7
146.07104	0.8
146.09683	0.6
147.04381	0.6
147.06790	3.3
147.08049	8.1
147.11688	3.5
148.07565	11.4
148.08714	0.9
149.05972	2.8
149.09616	2.9
149.13213	2.3
150.09137	0.7
151.07544	1.8
152.07100	0.7
153.09134	0.7
155.08577	2.0
157.10120	2.7
159.08061	20.9
159.11700	2.8
160.08913	0.6
161.09627	6.7
161.13272	2.1
163.07556	5.6
163.11162	1.3
163.14848	2.0
164.07072	100.0
165.07816	1.0
165.09108	6.1
165.12817	0.6
166.08714	2.6
169.10150	2.0
171.11697	3.2
173.09605	4.3
173.13251	1.3
175.07536	2.0
175.11177	3.4
175.14844	0.8
177.09160	2.7
177.12769	0.5
177.16432	0.8
179.10686	0.7
181.10127	1.2
183.11699	1.5
185.09634	2.1
187.11200	1.6
187.14833	1.2
189.12770	3.9
189.16539	0.8
191.10695	7.5
191.17937	0.8
193.12233	1.4
197.09650	0.7
197.13248	1.1
199.11215	5.2
200.10645	0.8
203.17886	0.5
205.12247	1.6
205.15909	0.7
211.11145	0.9
211.14879	1.1
213.12903	0.7
214.10986	0.7
215.14235	1.7
215.15804	0.9
215.17987	2.2
216.10229	2.1
217.12245	11.9
217.19464	0.6
225.16418	1.2
228.10207	0.9
229.13377	1.1
229.15804	0.5
229.19421	0.7
231.13759	0.8
232.09779	0.5
233.11874	0.7
233.15375	6.4
235.14752	1.0
235.20583	0.6
243.14925	6.0
243.17484	3.3
245.16452	2.6
253.13536	1.1
253.15854	4.5
254.11801	1.3
261.18414	2.4
261.23340	0.7
271.14410	21.7
271.17010	12.4
271.24213	3.1
289.15430	76.4
289.18094	49.3
289.22394	1.5
289.25070	6.0
290.15613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05500	0.8
56.05031	1.4
56.96572	6.7
57.03433	1.7
57.07061	0.7
60.04516	1.3
60.05642	1.7
61.02926	1.3
62.83163	0.7
64.59505	0.8
65.60402	0.7
67.05512	1.0
69.03418	2.4
69.07070	2.3
70.06594	8.5
70.34003	2.8
71.04993	0.9
71.06912	1.2
72.08160	5.8
73.08481	1.8
74.06094	1.2
79.05489	1.2
81.03390	1.3
81.04494	0.7
81.07056	1.6
84.04495	1.5
84.08153	5.3
84.96053	1.1
85.02913	7.8
85.18427	0.7
86.09696	4.3
87.04462	0.9
87.10023	1.2
91.05479	1.2
92.32484	0.8
93.06979	0.8
95.04974	0.9
95.06120	0.8
97.02882	2.9
97.06538	0.8
97.07613	0.7
98.97594	8.8
99.04506	1.1
101.00867	0.8
105.07024	1.1
109.02869	2.8
110.97571	2.9
111.05537	0.9
112.99192	0.7
115.02472	0.9
116.07150	1.1
116.98615	3.5
119.01881	2.0
119.04922	1.4
119.08544	1.0
120.06611	1.2
120.08138	1.7
122.05970	1.0
123.04312	0.9
123.05534	0.8
125.07167	1.1
127.03922	15.3
128.98602	3.1
129.10258	1.7
129.31174	0.7
131.00151	0.9
131.01892	0.8
134.99649	2.0
136.06215	1.5
137.05977	1.4
138.05475	0.8
141.06519	1.1
143.00174	1.3
146.99681	2.1
147.04361	3.7
150.05521	0.8
158.99666	1.8
161.01266	1.4
167.07016	0.8
168.06627	0.8
172.74802	0.7
174.99141	1.7
175.11906	1.8
177.00739	1.7
179.83517	0.8
182.03362	0.9
187.02684	0.8
189.00691	1.7
193.00060	0.9
193.04457	1.4
195.98283	0.8
199.08234	1.2
200.14754	1.1
202.04865	1.3
207.01793	0.9
219.01720	2.1
221.05058	1.3
233.99420	0.8
236.82336	0.9
237.02856	1.5
239.02425	0.9
239.04771	0.7
249.02731	1.2
265.06534	2.0
266.08774	0.8
267.03903	1.2
271.16760	1.4
280.07312	0.8
285.04785	0.7
289.08994	7.4
289.12570	100.0
289.20157	3.8
290.05707	0.8
307.12350	0.9
308.58160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01875	0.9
55.05510	1.0
56.96563	7.5
57.03434	1.5
58.46571	0.7
59.37015	0.7
60.04515	1.4
60.05653	1.7
61.02913	1.6
67.05510	1.1
69.03423	3.1
69.07080	0.9
70.06599	8.8
71.04987	1.4
71.06927	1.2
71.56305	1.5
72.08159	5.4
73.02898	1.7
74.06070	1.6
79.05500	1.7
81.03413	2.7
81.07048	2.2
83.04958	1.2
84.04503	2.6
84.08149	5.9
84.18652	0.7
85.02908	6.1
86.09694	6.7
86.54505	0.9
87.04465	1.2
88.42457	0.7
91.05479	1.9
91.11693	0.8
95.04945	0.9
96.25883	0.8
97.02891	2.9
97.06538	1.5
98.97585	11.9
99.04453	2.3
101.69234	0.8
102.05517	1.5
105.07014	1.6
109.02891	1.6
110.97546	3.9
111.05574	2.6
112.08772	1.1
116.98620	5.9
119.01888	3.5
119.04965	1.6
119.96226	0.7
120.08106	2.8
122.05995	1.2
123.04434	1.1
124.99170	1.0
125.07114	1.1
127.03922	17.8
128.98619	4.4
129.10252	2.1
132.95869	1.0
134.99644	1.3
135.04446	1.3
137.06006	1.8
141.06590	2.6
143.00153	2.3
145.04956	1.3
146.99638	2.1
147.04422	1.9
148.04785	1.0
151.03984	0.8
158.99638	2.6
160.54631	0.9
161.01158	1.1
161.02901	1.1
165.00938	1.0
165.95609	0.9
168.06531	1.2
170.99673	2.1
174.99092	1.3
175.11887	1.6
176.12271	1.0
177.00722	3.1
189.00714	2.3
191.02107	0.8
193.04439	1.7
194.04536	0.8
199.08199	1.1
201.00722	0.9
202.05069	0.9
219.01701	1.8
237.02827	1.5
239.02440	1.1
239.13991	1.5
242.98082	1.4
248.07472	1.4
249.61635	0.8
265.06537	3.7
267.00400	1.1
267.03854	1.2
271.16577	3.6
289.09006	10.3
289.12561	100.0
289.20233	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
56.96572	4.3
57.03434	4.2
58.99858	1.6
61.02931	5.4
69.03436	5.6
70.06603	3.4
70.99862	3.0
71.04992	1.1
71.24201	1.0
72.08157	2.1
73.02911	6.4
81.03420	2.8
82.99831	8.9
84.08152	1.9
85.02416	1.8
85.02899	15.4
86.99345	1.2
87.05571	1.2
97.01407	6.8
97.02897	6.7
98.97585	4.5
99.04456	1.8
99.33588	1.1
101.00885	60.9
103.00607	1.1
103.02437	2.5
109.02889	2.0
113.00833	8.1
115.02444	23.7
116.07159	1.2
116.98603	1.5
117.04018	4.4
119.01926	100.0
120.02040	2.1
123.52981	1.1
126.98785	2.6
127.02425	3.1
127.03934	8.7
127.08689	2.6
128.98643	1.0
129.00346	1.8
129.03976	10.1
129.10266	1.8
131.01921	18.4
131.02853	2.0
133.01775	1.4
133.03470	30.6
135.05049	2.8
137.02954	12.7
139.02423	1.3
142.03519	1.9
143.01898	22.8
144.02022	1.7
144.99812	4.7
145.01596	1.7
145.03471	6.8
145.04996	1.7
147.01395	2.6
147.05058	8.2
149.02940	3.0
151.04547	2.3
155.01913	3.4
155.81947	1.1
156.02065	1.2
157.03461	4.9
158.99698	1.1
159.01418	2.2
159.05075	2.6
161.02954	39.7
162.03160	2.0
168.99823	13.0
171.01360	7.8
171.05049	2.3
172.02713	1.5
173.02963	12.4
175.04564	3.6
175.11842	1.8
177.00864	1.0
177.02423	2.7
179.02216	1.4
179.03990	2.0
180.54578	1.3
183.04988	2.9
183.55161	2.0
184.04794	1.6
185.02940	3.4
186.03114	1.1
187.00885	30.2
187.04543	2.4
189.02437	10.4
189.06104	1.3
190.03944	2.9
190.05685	1.5
191.04015	10.2
191.54176	1.4
192.05545	2.0
192.55640	2.5
196.99374	7.3
198.55719	3.1
199.00877	11.2
199.04630	1.7
199.06313	3.2
200.04375	2.6
201.02466	5.6
203.04013	5.4
205.01988	9.3
207.03506	3.3
208.05908	1.7
209.05113	1.1
215.00380	40.1
215.03673	1.8
217.01956	15.2
219.01715	1.5
219.03529	9.5
221.05078	3.4
229.01993	15.4
229.05424	1.7
231.03571	3.9
233.01387	2.9
235.03024	1.4
239.06172	2.6
245.01425	1.3
247.03030	42.4
257.01492	1.8
259.02859	2.9
265.04019	6.4
277.03998	2.3
289.04022	14.7
289.07312	3.9
307.05057	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	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	5.4
57.03442	2.4
58.99861	1.6
60.28484	1.6
69.03423	2.2
70.06594	5.5
70.99862	3.1
72.08173	1.3
73.02925	2.2
81.04544	1.9
82.99841	10.6
84.08145	3.7
85.02904	3.3
86.09734	3.4
97.01392	5.4
97.02919	2.2
98.83482	1.3
98.97593	21.9
101.00893	80.5
103.63332	1.3
109.02886	1.4
109.07656	1.8
110.97556	1.9
113.00874	11.5
115.02435	20.3
116.98648	5.4
119.01936	100.0
126.98830	1.6
127.02425	2.0
127.03931	2.4
127.08664	4.2
128.98605	1.9
129.00378	4.0
129.03993	5.8
130.93320	1.6
131.00249	1.6
131.01913	20.6
133.03482	38.6
137.02979	11.9
143.00259	1.6
143.01909	24.7
144.99864	4.2
145.03508	7.1
147.01401	9.4
147.05049	4.8
149.02983	3.2
151.04523	5.9
153.00316	2.7
155.01910	1.6
157.03442	7.5
159.01419	4.1
161.02980	47.7
168.99821	15.4
171.01405	18.0
172.94405	7.3
173.02975	13.9
175.00922	6.1
175.04523	3.6
175.11935	2.3
177.02415	2.0
179.04121	1.5
180.99902	3.7
185.03006	7.1
187.00916	31.7
187.04515	1.8
189.02480	14.8
190.95380	4.2
191.02591	1.4
191.04057	9.8
196.99379	6.9
199.00920	23.2
199.04594	1.9
201.02449	7.7
201.04120	1.8
203.04068	4.0
205.02020	6.8
207.03552	5.9
215.00395	20.1
216.97028	3.1
217.01984	47.0
219.03560	17.7
229.01894	11.0
231.03520	5.9
233.01460	5.4
235.02985	5.5
245.01498	2.1
246.98036	4.4
247.03023	31.1
248.08154	1.9
255.55162	1.6
257.01508	2.8
264.99207	2.4
265.04092	8.9
274.97537	5.5
277.04181	3.1
288.95834	1.4
288.99084	3.0
289.04044	37.4
289.07037	16.2
289.17776	1.9
289.20709	3.5
292.98492	3.4
307.05106	31.2
307.08575	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	287.237
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03933	4.8
55.01865	2.8
55.05513	16.4
56.96553	5.3
57.03440	2.1
57.07086	8.0
63.38494	1.5
65.03949	2.7
67.05167	2.4
67.05508	27.5
67.79341	1.4
69.03428	3.7
69.07074	44.8
71.04991	5.5
71.56635	1.7
79.05495	30.1
81.03381	2.0
81.07060	100.0
83.04966	4.3
83.08625	12.2
85.06550	3.4
91.05485	19.1
93.07050	71.5
95.04958	5.4
95.08613	48.6
96.74683	1.5
97.06546	8.5
97.10161	3.8
98.97586	4.3
103.05446	2.3
105.07035	44.3
107.08601	67.0
109.06503	7.8
109.10161	47.8
111.08083	9.1
113.09686	2.2
116.98651	2.0
117.07035	8.4
118.99518	1.5
119.08593	44.6
121.06493	2.8
121.10149	57.6
123.08048	6.0
123.11704	17.7
129.06956	3.1
130.07782	2.5
131.08583	18.2
133.07483	1.4
133.10126	25.8
135.04454	2.5
135.08063	3.6
135.11693	21.3
137.09627	3.8
137.13264	2.7
139.11209	1.8
142.07780	5.5
143.08585	11.3
144.09343	3.6
145.10136	40.6
146.10809	1.2
147.04424	2.8
147.11699	22.3
149.09631	2.0
149.13258	54.3
151.11208	7.3
153.01839	5.0
155.08533	2.4
156.09363	2.1
157.10139	22.8
158.10898	3.8
159.11702	29.7
161.05963	1.4
161.09595	1.5
161.13245	15.5
163.11163	3.3
163.14835	6.5
165.12711	3.3
169.10208	1.6
171.11693	12.1
172.94353	2.1
173.13263	21.9
175.11240	2.5
175.14832	10.3
177.06750	1.7
177.12790	3.3
177.16380	6.0
179.14323	1.8
183.11674	2.0
185.13255	9.4
187.14806	10.8
188.15555	4.3
189.16383	6.4
191.07068	8.7
191.14323	3.6
199.14825	11.1
200.15663	2.2
201.16393	24.3
203.17963	3.0
205.15916	4.7
213.16371	18.1
215.17969	2.9
217.15849	2.3
219.17459	2.8
227.17928	6.7
229.19525	4.8
231.17502	4.4
253.17810	1.8
269.22668	37.2
278.10721	2.2
287.05505	55.0
287.12979	5.9
287.16513	9.2
287.20627	2.9
287.23697	68.8
288.05594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03944	3.9
55.05516	23.7
56.96555	6.0
57.03425	3.5
57.07068	12.1
59.04993	4.3
61.12107	3.3
67.05512	51.9
69.03442	8.3
69.07079	51.1
70.72977	7.0
70.73354	8.4
71.04996	35.6
79.05498	35.0
81.07062	90.8
83.04984	14.6
83.08653	17.3
85.06530	4.3
91.05482	34.1
93.07048	75.6
95.04960	10.4
95.08615	100.0
97.06557	8.9
97.10168	4.0
98.97595	10.4
100.52656	3.3
105.07038	88.8
106.39262	3.5
107.08601	67.9
109.06528	7.2
109.10164	71.9
115.05435	4.9
117.07024	21.7
118.83572	3.6
119.08597	89.5
121.06509	4.4
121.10168	48.5
123.08089	6.3
123.11700	13.6
128.06235	5.2
129.06995	14.4
130.07816	4.9
131.08575	54.8
133.10146	49.7
135.11691	37.4
137.09607	5.9
137.13322	4.9
142.07793	11.0
143.08565	29.6
144.09364	5.4
145.10141	68.3
147.11700	34.2
149.09702	5.8
149.13240	13.4
155.08659	4.1
156.09363	5.3
157.10136	49.1
158.10930	9.7
158.99681	4.8
159.11700	69.1
161.13264	34.1
163.14812	6.2
169.10141	5.8
170.10919	8.7
171.11740	36.8
173.13268	34.0
175.11206	5.5
175.14812	16.3
177.12801	7.0
185.13298	27.0
186.14114	6.4
187.11176	3.9
187.14833	36.6
189.16348	8.4
191.14299	5.1
195.11607	4.0
199.14851	35.0
201.16383	40.6
211.14824	5.2
213.12897	7.2
213.16388	42.5
217.19475	5.8
219.17436	4.8
227.17953	10.6
229.19409	9.5
231.13829	5.8
231.17511	4.0
241.19673	5.9
269.19058	13.8
269.22662	83.0
287.05603	46.0
287.16815	6.2
287.20102	45.9
287.23718	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	287.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01858	3.8
55.05260	3.4
55.05513	37.4
56.96553	9.4
57.03438	30.1
57.07059	11.7
59.04988	3.8
62.62012	2.4
65.72332	2.6
67.05507	44.8
68.23102	3.0
69.03427	7.4
69.07070	75.1
69.73441	6.5
69.73852	8.1
71.04977	11.9
71.08611	4.1
73.06550	3.8
79.05492	30.7
81.03376	3.6
81.07054	86.5
83.04967	10.7
83.08621	51.3
85.06541	3.7
91.05482	39.6
92.05791	3.4
93.06477	4.8
93.07042	66.2
95.04967	6.5
95.08608	48.5
97.06537	28.7
97.10148	15.1
98.97558	8.7
99.08072	3.2
101.05933	2.4
103.05492	2.8
104.51217	2.6
105.07034	28.6
107.04955	3.1
107.08599	49.3
108.58511	2.8
109.06506	4.3
109.10161	32.0
111.08083	17.1
116.98568	3.8
117.07003	11.2
119.08577	26.4
121.06474	3.5
121.10140	41.3
123.08093	4.5
123.11738	13.1
125.09644	6.5
129.07025	5.4
131.08597	19.4
133.06458	3.6
133.10118	19.9
135.04419	3.8
135.11700	16.4
138.48163	2.9
143.08562	7.1
145.10149	19.6
147.11702	13.2
149.09605	2.9
149.13264	72.5
151.11159	4.2
153.01814	8.8
157.10129	13.7
159.11659	23.4
161.09587	2.9
161.13283	8.9
167.14336	24.6
171.11758	7.2
173.13243	9.3
175.07541	4.5
175.14767	4.4
177.06725	3.4
177.12746	10.2
185.13289	7.1
185.15445	4.4
187.14832	6.4
189.16425	5.7
190.34656	3.2
191.06998	16.7
195.13853	5.0
199.14810	5.1
201.16373	9.6
203.18083	3.3
213.14571	3.6
213.16374	8.6
231.13695	4.8
231.15891	73.5
233.09613	4.6
251.20129	4.9
269.17609	4.5
269.22641	21.2
287.05502	100.0
287.12885	11.4
287.18604	74.8
287.23474	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.03938	4.9
55.01860	7.3
55.05515	38.8
56.96561	12.3
57.03436	13.9
57.07078	14.3
59.04995	2.6
67.05186	3.3
67.05508	54.3
69.03423	4.0
69.06728	4.9
69.07076	67.7
70.06216	8.8
70.06628	5.9
71.04987	11.4
71.08627	5.0
79.05064	3.8
79.05492	35.2
81.06582	4.9
81.07061	97.5
83.04968	11.6
83.08623	30.1
85.02905	4.1
85.06531	8.2
87.68403	2.4
91.05492	33.4
92.43337	3.0
93.07054	78.9
95.04955	7.3
95.08611	71.1
97.06537	25.7
97.10162	9.5
98.21480	5.6
98.97585	17.2
98.98470	2.6
99.08129	4.1
105.07032	58.3
107.08601	70.0
109.06533	6.2
109.09455	5.1
109.10158	63.8
111.08060	8.8
111.11703	5.5
115.05427	3.0
116.98578	6.9
117.07001	11.3
119.04971	3.1
119.07799	4.1
119.08587	59.4
119.95498	2.6
121.09327	3.7
121.10150	44.1
123.08080	3.0
123.11693	17.5
125.09632	6.3
128.06204	3.1
129.06989	9.9
131.08586	39.4
133.10138	37.8
135.08107	4.0
135.11688	35.3
137.13252	6.0
139.11241	4.1
142.07738	7.6
143.00084	4.0
143.08565	22.8
144.09315	7.1
145.10136	53.5
145.11263	2.6
147.11716	35.5
149.06122	4.0
149.09682	2.7
149.13272	38.8
153.01787	8.5
156.09306	3.8
157.10136	32.3
158.99663	3.5
159.11696	49.4
161.13278	26.3
163.03882	3.2
163.11168	5.8
163.14774	7.2
167.14293	11.5
171.11719	22.7
173.13266	30.9
175.14850	12.5
177.06741	4.3
177.12720	5.7
177.16331	4.0
185.13327	20.2
187.11188	3.3
187.14880	21.9
189.12758	3.9
189.16330	8.5
190.95454	3.2
191.07091	15.2
199.14833	23.0
200.15443	3.4
201.16393	22.7
203.17947	6.9
203.54689	2.6
205.15976	4.7
213.16374	30.8
219.17357	6.3
227.17917	11.3
229.19447	8.7
231.15784	31.1
241.19516	6.0
245.18900	3.0
269.22662	64.0
287.05521	94.3
287.12781	11.3
287.15948	4.8
287.18808	29.3
287.23672	100.0
297.34793	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.123
Annotation	Pifithrin-alpha
Peak:m/z	Relative Intensity
55.01854	0.5
55.05503	1.3
56.96560	3.0
57.03435	0.6
62.98249	2.7
66.86191	0.6
67.05493	2.4
69.07047	1.4
70.98119	0.8
71.57373	0.8
71.81414	0.5
79.05479	1.9
81.03414	0.7
81.07046	2.0
83.04961	0.8
83.08614	0.5
91.05464	2.9
93.07031	1.9
95.04994	1.1
95.08604	1.7
97.06535	0.7
103.32209	0.5
105.07028	2.6
107.08586	1.9
109.10128	0.7
117.07003	1.3
119.08564	1.3
121.06423	0.5
121.10176	0.8
129.06966	0.7
131.08543	1.9
133.10141	1.0
135.08105	0.5
138.96391	0.4
143.08583	0.8
145.10086	1.9
147.08081	0.5
147.11731	1.3
153.01979	0.6
159.03343	0.5
159.11671	1.3
165.12709	0.7
171.11679	0.8
173.13275	0.8
175.07587	1.3
177.06866	0.6
185.13298	0.7
190.95396	0.6
211.14886	0.6
220.14464	0.6
223.03865	0.7
249.46591	0.5
275.19870	0.8
287.05630	9.0
287.12305	100.0
287.20099	2.8
288.12665	1.0
299.11749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.0
53.19154	0.0
55.01880	0.1
55.05504	0.1
56.96554	0.1
63.69385	0.0
67.01531	0.1
67.01868	1.4
67.05494	0.1
68.99432	0.1
68.99791	1.0
69.03423	0.1
69.07072	0.1
71.04968	0.1
71.57047	0.0
79.05503	0.3
81.03423	0.1
81.07045	0.1
83.05000	0.1
84.04513	0.1
84.08140	0.1
85.02901	0.1
89.03907	0.5
91.05478	0.1
93.07024	0.1
95.04973	0.1
95.08562	0.0
97.02903	0.1
97.06532	0.1
98.97606	0.1
103.05434	0.1
105.04509	0.0
105.07035	0.1
107.04961	0.3
107.08611	0.0
109.02871	0.2
111.00806	0.1
111.04442	0.1
116.98588	0.1
117.03385	0.6
117.06981	0.0
118.67847	0.0
119.08576	0.0
121.02841	0.1
121.10088	0.1
125.02357	0.1
127.03911	0.1
128.06134	0.1
129.01830	0.2
129.06995	0.1
129.45021	0.0
135.04417	4.0
137.02356	0.9
137.03403	0.1
139.05437	0.2
143.00174	0.1
143.04898	0.1
145.03841	0.0
147.04434	0.1
147.11597	0.1
149.02292	0.0
153.01828	11.0
155.04845	0.0
157.06500	0.2
161.02345	1.2
161.05936	0.1
167.04930	0.1
171.02914	0.7
171.04416	0.1
177.05495	0.1
179.03394	0.5
185.05936	0.3
189.05449	0.1
195.04372	0.1
199.03909	0.1
203.03448	0.2
203.07047	0.1
213.05463	0.4
217.05032	0.1
218.05644	0.0
219.06540	0.2
227.03406	0.1
231.06508	0.1
241.04971	1.3
244.03915	0.1
245.04446	0.2
258.05273	0.1
259.06003	0.1
263.05539	0.1
269.04419	0.8
270.05197	0.1
286.04706	0.1
287.05493	100.0
288.05832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3106
Annotation	ES-285
Peak:m/z	Relative Intensity
50.85801	0.2
53.90385	0.2
55.05506	0.4
56.96548	0.7
57.07077	6.6
58.06605	1.1
60.04492	0.4
62.06097	2.9
65.71220	0.2
67.05490	0.4
67.66967	0.2
69.07048	0.7
69.37045	1.0
69.37469	0.9
70.06587	0.2
71.08634	4.8
72.08137	1.1
79.05488	0.3
81.03396	0.3
81.07056	0.6
82.07359	0.3
87.04457	1.2
91.05465	0.3
93.07056	0.4
95.08613	0.4
98.21441	0.6
98.97594	0.6
109.10100	0.4
119.01968	0.2
143.58380	0.2
156.17502	3.0
172.16986	0.4
174.18542	10.7
220.68500	0.2
226.25339	0.3
242.28423	0.3
268.26428	1.0
268.29919	1.2
286.04868	0.3
286.07956	0.8
286.31042	100.0
287.05585	0.7
287.31381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.054
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.92211	0.1
67.01523	0.1
67.01866	1.4
68.99783	1.0
69.03429	0.1
70.70959	0.1
79.05489	0.2
81.03407	0.1
81.07053	0.1
86.09703	0.1
89.03918	0.5
97.02879	0.1
97.06516	0.1
98.97571	0.1
103.61655	0.1
107.04957	0.2
109.02869	0.1
109.69556	0.1
111.00801	0.2
111.04438	0.1
117.03376	0.6
124.15988	0.0
125.02326	0.1
129.01848	0.2
129.07007	0.1
135.04413	4.0
137.02347	1.1
137.03381	0.1
139.05435	0.1
147.04402	0.1
153.01828	9.8
157.06506	0.2
161.02319	1.1
167.04884	0.1
169.86909	0.0
171.02895	0.7
171.04404	0.1
173.05956	0.1
179.03432	0.6
179.04979	0.1
185.05988	0.3
189.05478	0.1
195.04308	0.1
199.03867	0.2
201.05511	0.1
203.03540	0.3
213.05391	0.3
219.06554	0.1
222.75476	0.0
227.03491	0.1
231.06567	0.1
240.53639	0.1
241.04944	1.3
243.17696	0.1
245.04492	0.2
259.06030	0.2
259.98337	0.1
263.05515	0.2
269.04382	0.7
286.04596	0.1
287.05487	100.0
288.05750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71857	13.9
55.01843	16.0
55.05501	44.4
56.96550	18.2
57.03435	39.8
67.05482	40.2
72.49091	16.5
79.05489	31.3
81.03418	100.0
81.07053	28.4
82.03745	25.3
83.08621	52.0
84.08929	16.7
85.02880	41.8
86.03263	18.4
91.05485	26.5
93.07038	19.1
94.07397	19.5
95.04958	34.6
95.08619	30.5
105.07024	30.7
147.11635	16.1
147.39969	15.8
152.59822	15.1
153.67763	16.6
157.69189	15.0
158.10495	35.2
162.08202	17.6
171.19438	17.3
181.67473	15.7
193.12286	25.0
194.12540	87.8
212.13651	78.1
256.09222	21.2
268.16312	17.4
286.07986	19.9
286.17126	94.8
299.23935	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92948	0.7
55.05521	1.7
56.05039	0.9
56.96572	4.4
57.03432	2.0
59.05001	2.2
61.02932	6.2
61.16882	0.6
68.05027	0.6
69.03425	1.7
69.92234	1.3
69.92628	1.5
70.06602	8.9
70.98099	0.8
71.05006	4.8
72.08162	2.2
73.02925	0.9
79.05505	2.3
81.04544	0.7
81.07064	11.6
82.05340	1.6
83.06108	9.9
84.96052	0.9
85.02909	4.1
87.08116	0.9
91.05467	0.9
93.04541	5.6
95.06099	15.8
97.02894	2.0
98.21354	0.9
98.97579	6.3
107.06089	1.4
110.07175	100.0
110.97610	1.2
111.05558	1.5
112.07613	6.6
112.08737	2.7
113.09670	0.6
116.07118	3.1
116.98631	2.6
119.01880	0.6
119.04972	0.9
119.06042	1.1
120.06857	0.7
121.07642	1.8
124.07613	1.5
124.99140	0.6
125.05988	0.9
127.03895	1.0
128.98630	1.3
130.08698	0.8
136.08658	0.8
140.07043	3.9
143.00188	0.8
143.01912	1.0
143.11855	0.6
147.04422	2.6
153.05486	2.6
156.03401	1.2
156.07701	14.7
158.06685	0.9
158.99673	1.5
161.02979	0.6
163.12320	53.8
166.06143	2.2
170.99658	0.8
171.11266	0.6
172.97589	1.0
174.04424	1.1
177.00728	0.9
182.09305	0.8
185.09227	2.1
186.04456	2.7
188.03500	0.6
189.00711	0.7
190.13420	8.8
193.13408	0.7
195.06560	1.5
197.03920	0.9
204.05516	1.1
208.14478	12.4
209.12827	0.7
210.02057	0.7
210.16025	0.9
212.15324	1.0
219.01770	1.4
219.11327	2.4
220.65324	0.6
224.07700	0.7
228.05717	0.7
236.13983	8.3
237.02855	1.0
240.17101	7.9
241.15472	1.5
242.18626	0.6
254.15018	20.6
286.17636	92.0
287.10986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01866	4.9
55.05515	36.5
56.96295	1.4
56.96567	25.7
57.03442	7.4
57.07076	6.9
61.02926	2.9
65.03917	1.7
67.05509	50.0
69.03428	5.1
69.07072	48.4
70.66699	3.4
71.04993	3.9
71.08636	3.6
73.02946	2.3
77.03944	1.2
79.05493	20.5
81.03433	7.9
81.07061	54.5
83.04974	5.1
83.08143	1.6
83.08624	31.7
84.01530	2.3
84.96020	2.8
85.02895	4.9
85.06544	4.8
89.60204	1.0
91.03938	1.2
91.05485	13.4
93.06485	1.5
93.07053	22.4
95.04980	3.7
95.08614	42.8
96.01540	2.1
97.02892	11.4
97.06528	10.8
97.10175	22.7
98.97592	22.2
99.04456	2.8
99.08076	3.5
100.99141	3.3
105.07028	14.2
107.08600	18.7
107.52244	1.1
109.02285	1.7
109.02958	1.2
109.06494	2.8
109.10158	21.8
110.01309	2.3
110.97572	3.1
111.04474	1.1
111.08079	6.5
111.11716	9.3
112.99129	6.0
113.09637	2.0
115.07593	2.1
116.98608	8.7
117.02049	1.4
117.07045	1.7
118.02850	2.0
119.00165	1.5
119.01791	5.2
119.08582	13.2
121.10152	20.3
123.08052	3.3
123.11729	7.9
125.09613	5.6
125.13282	2.9
127.06054	1.0
127.11221	1.0
128.02287	1.9
128.98627	1.5
130.52641	1.6
131.00172	19.6
131.08563	2.5
133.10133	14.9
134.99680	1.3
135.11703	18.8
137.09619	3.6
137.13235	4.3
138.02522	1.1
139.11169	5.2
143.00179	3.2
145.10161	2.0
147.03047	9.7
147.11711	12.6
149.00098	2.3
149.01225	32.5
149.13258	3.8
151.11186	5.4
151.14824	3.7
153.12747	4.3
156.03627	14.7
157.12349	1.3
158.53951	1.7
158.99684	5.7
159.11694	1.2
161.01271	3.8
161.13269	6.6
165.12727	4.8
167.02335	8.3
167.09041	3.9
167.54375	5.5
169.08813	2.5
169.58981	1.3
170.99664	2.4
172.02797	3.2
173.01260	1.3
173.04893	1.6
173.13130	1.3
175.11125	1.2
175.14828	5.0
176.09642	2.2
177.00719	5.1
179.14316	3.4
187.60457	1.3
189.16301	1.4
190.03952	1.5
191.02281	1.9
193.12312	3.6
193.15979	1.2
193.19559	2.6
199.02798	1.3
203.02390	1.0
204.10907	26.9
204.61086	2.8
211.13316	1.5
213.11461	7.0
217.19539	21.0
219.01773	1.5
224.08063	18.4
224.58258	2.9
224.62222	8.7
225.12347	1.4
225.18492	3.0
229.07495	3.4
235.20570	19.1
239.11211	2.1
242.05841	3.5
243.09100	4.0
247.08588	1.3
249.18542	1.8
253.21689	4.5
258.11258	6.3
261.10049	2.3
267.19418	1.3
267.23444	1.4
270.05234	2.4
284.62912	1.6
285.07715	12.7
285.13547	100.0
285.24310	2.3
285.63736	18.3
293.05435	2.1
297.13745	1.3
305.64896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05514	18.1
57.07087	2.7
59.04964	2.6
65.03883	2.1
67.05506	22.0
68.02419	1.8
68.93452	1.7
69.03397	3.2
69.07070	51.5
70.74659	2.2
71.04979	6.2
71.42944	4.4
79.05483	10.7
81.07053	29.8
83.04979	2.0
83.08617	9.5
91.05482	20.0
93.07050	32.6
95.04951	9.3
95.08050	3.2
95.08607	40.9
97.06523	18.7
97.10143	6.2
99.08053	4.0
103.05420	2.4
105.07032	64.3
105.17245	2.1
107.08590	33.4
109.06527	22.9
109.10155	25.8
111.08047	5.9
115.05473	2.1
117.07026	8.0
119.08584	81.9
121.06511	9.5
121.10154	31.0
123.08051	5.0
123.11716	18.8
128.06265	2.6
131.08490	5.6
133.09122	2.6
133.10129	51.3
135.08041	11.8
135.11699	16.5
137.09602	6.1
142.07678	2.2
143.08582	5.6
145.10132	18.8
146.07281	9.7
147.08063	2.7
147.11696	16.9
149.09596	3.1
149.13243	6.2
155.08525	5.7
157.10107	6.0
159.11670	10.4
161.09625	100.0
161.13257	8.1
163.11148	2.5
163.14758	2.7
169.10120	3.7
171.11668	6.1
173.13222	8.3
175.11165	5.1
175.14839	54.2
177.16348	8.3
183.11711	5.9
185.13283	13.2
189.16344	3.7
193.15868	9.6
197.13217	9.3
199.14870	2.9
201.16292	4.4
203.17914	6.2
211.14873	12.7
215.17935	5.1
242.05870	3.2
267.21063	11.8
285.07614	11.3
285.22171	20.0
286.43646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01863	2.4
55.05267	1.6
55.05512	15.8
57.03444	19.1
57.07067	5.0
62.09991	1.4
65.03947	1.7
67.05511	33.4
69.07077	24.2
69.53489	1.4
70.90170	1.4
71.04987	6.3
71.08628	2.1
71.57651	1.9
73.06557	1.6
79.05141	1.6
79.05504	18.5
81.03432	2.4
81.07063	100.0
83.04968	6.5
83.08627	14.6
85.06559	8.8
90.15070	1.6
91.05489	23.5
93.07045	12.6
95.04932	4.2
95.08615	23.9
97.06543	9.7
97.10163	4.6
99.08080	4.8
101.05999	2.2
105.06315	1.9
105.07031	37.5
107.08612	13.8
109.06518	4.4
109.10131	4.2
111.08061	3.4
111.11688	1.8
113.05971	2.3
119.08598	28.2
121.10149	22.9
123.08075	5.6
123.11722	34.5
127.07518	4.0
129.06917	2.5
133.10149	4.9
135.11740	1.8
137.13229	4.8
147.11697	83.2
157.10170	3.2
165.12776	41.7
174.98488	1.6
175.11201	5.5
183.13771	7.6
189.00021	2.0
193.12224	3.6
227.01637	2.1
229.14406	8.3
242.05769	9.3
250.22380	1.6
267.15872	6.8
268.87149	1.5
270.05215	3.4
271.22723	6.4
285.07663	26.9
285.16953	65.0
285.29517	1.5
285.33463	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01873	1.9
55.05506	5.8
57.03439	6.4
57.10910	0.7
61.97438	0.7
67.05503	11.1
69.03431	1.6
69.07087	1.8
69.87659	1.8
69.88065	2.9
71.04972	2.0
79.05495	11.2
81.03418	100.0
81.07050	9.0
83.04977	4.7
83.08617	19.2
85.02889	4.9
85.06524	1.2
91.05479	14.7
93.07052	6.0
95.04970	24.1
95.08593	2.5
97.02902	1.6
97.06521	1.1
105.07040	11.0
107.04938	5.6
107.08594	2.2
109.06498	2.5
109.10165	1.1
111.04445	1.5
111.08089	10.1
115.05423	1.1
117.07021	0.8
119.04968	1.4
119.08576	8.7
121.06503	1.9
121.10098	3.8
123.08103	1.2
129.06992	8.1
131.08575	5.7
133.06514	3.6
133.10152	3.1
137.09657	1.2
142.07777	1.8
147.08073	2.9
147.11678	6.6
149.09634	3.9
150.13811	0.8
157.10144	10.6
163.34097	0.7
165.12764	2.1
175.11182	12.6
193.12242	55.8
211.13283	8.4
237.59583	0.7
241.07608	2.0
259.08582	5.1
267.15915	15.8
285.07452	1.2
285.16937	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.39700	1.3
53.03934	3.0
55.01849	2.7
55.05272	1.5
55.05512	19.9
57.03435	20.8
57.07054	1.7
59.04984	1.5
65.67383	1.3
67.05506	25.8
69.03398	5.1
69.07061	7.5
70.20780	5.1
71.04989	7.5
73.02905	1.2
77.03905	1.3
79.05077	1.2
79.05495	20.4
81.03420	100.0
81.07059	33.1
83.04987	13.2
83.08622	30.9
85.02908	47.6
85.06521	3.6
90.33069	1.4
91.05491	26.2
93.07059	18.3
95.04972	32.0
95.08602	12.3
97.02859	3.8
97.06474	4.6
97.10156	3.3
98.97525	2.1
99.08061	2.6
105.07034	24.8
107.05001	6.4
107.08591	10.4
109.06461	4.5
109.10140	7.6
111.04400	4.7
111.08091	13.6
113.05955	4.1
115.05444	2.7
117.07023	3.0
119.08594	25.9
121.06476	3.3
121.10161	16.2
121.23578	1.5
123.08066	3.1
123.11639	4.3
123.24111	1.4
125.09572	2.8
127.07531	1.9
128.06155	1.4
129.07010	11.3
131.08597	13.3
133.06427	4.2
133.10158	11.7
135.11720	1.7
137.09584	3.0
142.07744	3.9
143.08521	2.7
145.10052	5.1
147.07976	4.0
147.10674	1.5
147.11697	19.7
149.09612	6.4
151.11061	1.9
155.08496	2.6
157.10149	17.0
165.12718	4.7
169.10042	2.9
173.13176	3.4
175.11183	19.4
183.11517	1.9
185.13145	1.7
193.12248	89.1
199.14699	4.4
211.13286	57.3
211.15271	3.4
225.16341	1.5
229.14349	2.6
242.05849	3.4
243.17233	1.5
267.15784	18.7
285.07715	10.7
285.16830	84.7
285.29694	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03929	1.4
55.01870	2.2
55.05264	1.2
55.05510	15.4
57.03151	1.2
57.03436	22.5
57.07066	1.0
67.05503	31.6
69.03429	1.4
69.06736	1.2
69.07072	17.7
69.24056	5.0
69.24477	2.5
71.04989	5.5
73.06562	1.5
79.05064	1.5
79.05489	18.2
81.07056	100.0
83.04982	6.5
83.08617	10.2
84.07072	0.9
85.06548	6.5
91.05478	24.0
93.06474	1.2
93.07045	11.4
95.04966	2.9
95.08603	19.1
97.06535	8.8
99.04475	1.0
99.08102	4.6
105.07029	36.7
107.08595	13.3
109.06499	5.6
109.10141	2.2
111.08063	1.8
113.06001	1.9
115.07559	1.2
119.07713	0.8
119.08576	28.9
121.10137	23.6
123.08054	3.7
123.11707	35.9
127.07545	3.3
129.07022	2.0
131.08621	1.7
133.10121	2.9
137.13252	2.2
140.51724	0.9
141.09134	1.4
145.10074	1.5
147.11688	84.5
157.10127	3.5
165.12750	46.9
175.11171	3.0
183.13824	5.0
193.12305	3.7
210.82224	0.7
211.13280	1.3
229.14334	9.0
267.15903	5.8
285.16965	75.4
302.16675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.02372	0.3
53.03950	0.7
55.01876	1.8
55.05514	15.7
56.96572	0.6
57.03441	21.6
57.07074	1.3
59.04999	0.8
65.03933	1.4
66.04741	0.3
67.05508	32.4
69.03436	1.5
69.07071	18.6
71.04993	6.8
73.06557	1.0
77.03928	0.4
78.04713	0.2
79.05497	18.6
80.05069	0.2
81.03430	2.7
81.07060	100.0
83.04985	8.4
83.05372	0.2
83.08626	10.3
84.62893	0.2
85.02884	1.4
85.06546	7.3
87.04466	0.8
91.05484	25.0
93.07050	13.2
95.04981	3.8
95.05558	0.4
95.08612	19.7
97.02879	0.3
97.05909	0.5
97.06538	9.3
97.10184	1.1
98.34649	0.2
98.97574	0.4
99.04465	0.7
99.08095	4.6
101.06001	1.6
103.05482	0.2
105.07037	36.3
107.04955	0.7
107.08601	12.3
109.05776	0.4
109.06528	5.8
109.10149	2.0
111.08099	1.4
111.08754	0.2
113.06021	1.7
115.05446	0.4
115.07593	0.6
117.07028	0.9
117.18684	0.2
119.08588	30.8
121.10152	21.7
121.11432	0.3
123.08076	4.8
123.11714	30.4
124.11987	0.2
125.09605	0.6
127.07579	3.7
129.07037	2.0
131.08586	1.7
133.06480	0.5
133.10127	2.8
135.04416	0.2
135.11761	0.4
137.09615	0.7
137.13258	2.7
139.11192	0.3
141.07014	0.3
141.09077	1.5
142.07767	0.7
145.10143	1.3
147.04419	0.6
147.11693	75.8
148.12030	0.3
149.09601	0.9
151.11134	0.3
157.10121	3.5
159.11699	0.4
163.11153	0.3
165.12764	42.6
168.09653	0.2
169.10066	0.3
171.07997	0.3
171.11789	0.2
173.13304	0.3
175.11203	3.3
183.13799	5.7
185.13277	0.5
193.12257	4.1
199.07602	0.2
211.13271	1.1
221.15346	0.3
225.09174	0.3
229.12076	0.4
229.14351	7.3
242.05797	0.5
253.08643	0.3
267.15927	5.3
267.20718	0.5
285.07565	1.3
285.16965	64.8
285.22089	1.7
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	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01867	3.7
55.05511	15.5
57.03441	21.0
65.03931	2.7
67.05509	32.8
69.03429	3.3
69.07072	13.2
70.95898	3.2
71.04987	5.0
76.54056	1.2
79.05068	1.8
79.05499	27.3
81.03424	100.0
81.07061	80.7
83.04982	9.1
83.08622	27.2
85.02917	7.8
85.06532	4.4
88.74997	1.2
91.05488	35.1
93.07067	15.3
95.04970	27.2
95.08607	16.0
97.02900	2.0
97.06544	9.1
97.10146	1.4
99.08080	2.1
105.07037	36.3
107.04963	7.5
107.08588	13.9
109.06516	6.7
109.10157	2.8
111.08083	12.0
115.05478	1.3
119.04939	3.0
119.08586	31.7
121.06554	2.2
121.10146	20.8
123.08076	5.5
123.11721	23.6
124.74934	1.4
127.07565	1.7
129.07008	8.5
131.08557	9.4
133.06552	3.4
133.10152	8.0
137.09583	1.6
137.13234	1.8
142.07823	2.0
145.10162	2.8
147.04419	6.3
147.08066	3.0
147.10507	3.1
147.11694	60.6
149.09619	5.2
153.47832	1.3
157.10136	13.3
165.12767	31.0
175.11203	16.4
183.13799	2.7
193.12253	60.5
194.09245	1.6
211.13338	14.6
229.14423	6.8
238.14552	1.4
267.15894	20.4
285.16980	56.5
285.21976	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	3.8
55.01872	2.6
55.05516	7.5
57.03440	8.3
67.05512	11.4
68.84789	0.8
69.03413	2.6
69.07058	3.7
70.61194	1.0
70.61520	1.9
71.04981	2.3
75.14699	1.0
77.97977	0.8
79.05062	1.1
79.05495	11.2
81.03422	100.0
81.07063	10.6
83.04987	6.1
83.08627	17.8
85.02899	6.3
91.05484	14.0
93.07045	7.2
95.04972	26.9
95.08607	4.0
97.02888	4.3
97.06518	1.7
97.10172	1.5
105.07043	10.7
107.04977	5.8
107.08576	2.4
108.81319	0.9
109.06499	2.9
111.08096	12.9
113.06044	1.0
119.04892	1.5
119.08591	10.6
121.06483	1.2
121.10140	4.2
123.08052	0.9
129.07025	8.4
131.08557	7.5
133.06471	3.0
133.10120	3.3
137.09596	1.2
142.07776	1.6
147.04445	1.1
147.08041	2.3
147.11679	8.8
149.09624	3.5
153.01834	1.3
157.10164	8.6
165.12772	1.3
170.16194	1.0
175.11205	11.7
193.12254	55.1
211.13309	10.9
229.14346	1.4
267.15930	16.1
285.16937	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01865	2.4
55.05512	7.6
57.03440	6.7
59.28677	0.7
59.60321	0.7
65.03949	1.5
67.05505	13.2
69.03420	2.7
69.07069	2.7
71.01122	1.4
71.04987	2.4
75.04448	1.0
79.05500	11.4
81.03423	100.0
81.07062	11.9
83.04986	5.2
83.08624	19.2
85.02923	5.3
85.06554	0.8
86.96301	0.8
88.18995	0.9
91.05486	15.2
93.07054	8.9
95.04974	25.6
95.08607	4.0
97.02893	2.5
97.06590	1.2
97.10181	0.9
101.52890	0.8
105.07039	11.7
107.04952	6.9
107.08604	3.6
109.06519	2.6
109.10157	2.0
111.04444	1.9
111.08097	11.4
115.05504	1.9
117.06997	1.2
118.22507	0.8
119.08586	10.3
121.06499	1.8
121.10167	4.8
123.08026	0.9
125.09661	1.0
129.06120	1.2
129.07018	7.9
131.08580	8.8
133.06514	2.0
133.10129	5.0
137.09619	1.1
142.07793	2.9
145.10088	1.7
147.08070	3.0
147.11703	10.6
149.09619	6.6
151.11139	1.0
157.10144	11.7
165.12759	1.9
175.11201	16.6
193.12254	57.9
199.40134	0.8
211.13295	8.0
229.03561	0.9
253.08749	1.7
267.15939	17.6
285.07764	1.7
285.11359	2.6
285.16907	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03949	4.7
53.49273	1.0
55.01872	2.3
55.05513	14.6
57.03439	19.8
57.07077	1.3
58.30090	0.9
59.04984	1.0
62.68463	0.8
67.05507	28.7
69.03422	2.8
69.07077	12.9
69.48522	1.6
69.48923	4.7
71.04996	4.5
74.09799	0.9
75.04465	1.0
79.05492	23.5
81.03420	100.0
81.07059	69.3
83.04984	9.7
83.08142	1.7
83.08623	26.9
85.02906	5.0
85.06552	5.0
91.05482	30.7
93.07043	16.3
95.04974	26.8
95.08064	1.2
95.08614	18.4
97.02885	2.7
97.06544	4.9
97.10160	2.2
99.08072	3.2
101.06009	1.0
105.07035	31.7
107.04954	6.9
107.08597	9.7
109.06527	5.3
109.10130	1.2
111.04448	2.0
111.08074	11.7
111.08781	1.4
113.05992	1.9
115.05379	0.9
117.07060	1.2
119.04951	1.2
119.08584	25.5
121.06484	1.5
121.09309	1.4
121.10146	17.9
123.08068	3.4
123.11720	19.6
127.07543	1.6
128.98772	0.8
129.07008	9.7
131.08597	8.0
133.06508	2.4
133.10123	5.1
137.13228	1.4
141.09084	1.1
142.07755	2.1
145.10072	1.8
147.08058	2.8
147.10492	2.0
147.11691	53.9
149.09676	4.1
157.10123	13.6
165.12761	26.5
175.11174	13.5
183.13820	3.1
193.12253	55.8
211.13278	9.8
220.41109	0.9
229.14389	4.8
267.15927	19.9
285.16962	48.7
293.04919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01862	2.5
55.05273	1.2
55.05511	15.3
56.96551	2.5
57.03442	22.7
65.03927	1.1
67.05505	23.7
69.03412	3.4
69.07076	6.7
70.12427	2.7
71.04975	5.4
74.03524	0.9
79.05076	1.3
79.05497	21.6
81.03419	100.0
81.06595	1.3
81.07056	24.5
83.04989	10.8
83.08147	1.7
83.08617	23.4
85.02904	32.2
85.06518	1.8
88.24815	0.9
91.05481	24.4
93.06491	1.1
93.07041	13.1
95.04971	34.2
95.08609	9.5
97.02884	4.2
97.06504	2.8
97.10150	2.5
98.20778	1.5
105.06378	1.7
105.07034	19.1
107.04945	8.9
107.08580	8.1
109.06516	5.6
109.10138	2.0
110.67480	1.0
111.04414	3.0
111.08079	16.8
113.05972	1.9
115.05447	2.5
117.07018	1.0
119.08587	17.5
121.06489	3.1
121.10142	10.5
123.08076	2.2
123.11700	2.0
125.09628	1.6
129.07010	11.5
131.08566	10.4
133.06497	2.6
133.10132	8.7
142.07787	2.2
145.10094	2.6
147.08009	3.1
147.11682	13.7
149.09605	6.9
157.10141	12.6
160.11195	0.9
163.11177	1.9
165.12724	4.3
175.09753	1.6
175.11186	19.7
193.12247	74.1
199.06409	1.9
211.13300	29.3
212.10960	1.2
217.07481	1.7
219.01855	0.9
223.06427	1.9
229.13365	1.1
241.07483	3.5
259.08585	11.9
267.08923	2.4
267.15900	13.2
277.09567	1.8
285.13086	2.3
285.16922	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	1.1
55.05264	1.0
55.05516	16.1
57.03439	23.8
58.04360	0.5
59.04996	1.0
65.03951	1.0
67.05506	31.1
69.03423	1.2
69.07070	19.9
70.13662	1.8
70.14063	1.1
71.04996	6.2
73.06564	0.7
78.55513	0.5
79.05497	19.1
81.03439	1.8
81.07060	100.0
83.04984	7.9
83.08621	9.1
85.02911	1.1
85.06547	8.0
91.05485	25.9
93.07043	12.8
95.04984	3.4
95.08610	20.2
95.09232	0.7
95.85976	0.5
97.06532	7.8
97.10198	1.1
98.21435	0.6
99.08111	4.0
101.06047	1.2
105.04557	0.6
105.07038	36.4
107.04977	0.6
107.08602	13.3
108.94882	0.7
109.06532	5.8
109.10168	1.8
111.08058	1.0
113.06021	1.8
115.07610	0.9
117.07046	1.0
119.08590	30.4
121.09312	1.2
121.10152	20.8
123.08058	4.2
123.11714	33.3
125.09727	0.7
127.07577	3.6
129.07010	2.5
131.08603	1.5
133.10126	4.1
137.09616	1.1
137.13261	2.5
141.09145	2.1
145.10152	1.1
147.04425	0.9
147.11693	77.4
149.09630	0.9
157.10139	4.8
163.11192	0.6
163.71025	0.5
165.12762	48.3
175.11211	3.8
183.13806	5.9
187.66829	0.6
193.12233	3.9
194.47000	0.6
211.13350	1.0
226.82478	0.6
229.14301	8.6
229.16235	0.7
256.48615	0.5
267.15948	6.8
285.16986	74.1
285.22110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1701
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03920	3.1
55.01854	4.9
55.05513	18.9
56.96561	7.0
57.03442	26.2
65.09677	1.3
67.05187	1.8
67.05506	24.1
69.03404	4.0
69.07074	9.2
69.23837	13.7
70.34762	1.4
71.04997	6.6
72.39990	1.2
73.02912	1.3
76.18431	1.3
77.83706	1.3
78.38416	1.2
79.05501	22.8
81.03421	100.0
81.07059	31.7
83.04990	12.1
83.08164	1.5
83.08624	30.5
85.02909	45.0
85.06527	2.8
91.04984	1.7
91.05488	27.3
93.07050	16.9
95.04977	31.3
95.08614	11.5
97.02853	4.6
97.06532	7.1
97.10168	3.2
98.20687	2.9
98.97548	2.0
99.08111	1.5
105.06390	1.7
105.07030	22.6
107.04967	6.6
107.08618	7.8
109.06525	6.6
109.10105	4.4
111.04433	1.8
111.08087	16.9
112.99037	1.8
113.05995	3.2
117.07021	2.2
119.08582	19.2
121.06499	1.8
121.10136	12.6
123.08044	3.3
123.11682	3.0
125.09593	2.4
129.07024	10.9
131.00154	3.5
131.08592	9.4
132.37616	1.5
133.06424	4.4
133.10143	12.7
135.11673	2.3
137.09607	2.1
142.07733	1.8
143.08618	1.7
143.79750	1.5
145.10097	3.0
147.08083	3.2
147.11694	20.7
149.01180	4.4
149.09645	7.6
157.10150	13.6
163.67165	1.8
165.12692	4.9
175.11221	17.0
193.12251	89.8
211.13295	54.7
212.13249	1.5
229.14268	2.7
242.05658	5.9
244.09450	2.6
253.08574	1.6
267.15906	17.4
270.05362	2.7
285.07599	14.8
285.10425	3.0
285.13489	11.5
285.16867	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	(-)-Aerocyanidin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01866	4.0
55.05515	7.5
56.05030	0.8
56.96569	4.9
57.03417	1.7
57.07064	1.5
59.04992	0.7
61.90042	0.7
62.06096	0.7
64.98219	0.6
65.03931	1.2
67.05180	0.8
67.05508	10.3
68.05010	1.1
69.03417	2.8
69.07069	6.6
69.75051	1.9
69.75461	2.3
70.06578	1.6
70.07345	0.7
71.08669	0.6
72.04507	0.9
72.08148	1.3
75.17063	0.7
79.05498	6.3
80.05016	1.4
80.05786	0.6
81.03402	2.7
81.07063	16.3
82.06123	0.9
82.06583	8.1
82.72763	0.7
83.04980	1.6
83.08610	3.0
83.55373	0.7
84.04504	6.5
84.08913	0.7
84.96017	1.2
85.02887	1.9
85.06542	1.2
86.06040	1.0
87.04444	2.4
91.05486	5.8
93.07047	10.8
94.06556	8.0
94.07372	1.6
95.04955	1.8
95.08623	10.1
95.26083	0.7
96.04473	1.3
96.08128	2.7
96.08921	1.2
97.06533	2.5
97.10162	1.3
98.06042	5.0
98.97592	15.3
99.08091	0.8
104.07092	2.6
105.07031	6.1
106.06508	0.8
107.04961	1.1
107.08599	9.0
108.08100	2.6
108.08869	1.3
109.06525	1.5
109.10169	8.7
110.06050	16.0
110.09668	5.2
110.10416	1.3
111.08122	1.0
112.07622	1.8
112.99108	1.7
114.09158	0.8
116.98653	5.7
117.07011	1.0
119.04919	1.0
119.08584	5.9
121.10143	6.2
122.06010	3.0
122.09594	0.8
123.11690	2.8
124.07606	3.9
124.11119	1.2
125.09620	1.3
126.05521	2.1
126.09155	1.3
128.07056	1.8
131.00154	2.9
131.08574	1.7
133.10126	2.7
134.05971	2.0
134.09650	1.0
134.99637	1.3
135.11687	3.1
136.07585	5.8
138.09154	11.1
140.94205	0.8
142.08682	1.8
143.00136	1.6
145.10129	2.1
147.04398	2.6
147.11697	3.5
149.01108	0.8
149.09595	1.2
149.13223	2.4
150.09108	1.3
152.10690	0.9
154.08641	3.8
158.99638	3.8
161.01257	1.2
161.09644	0.9
161.13290	1.1
162.12808	1.2
163.11203	0.8
163.14824	1.0
173.01212	2.1
177.00697	4.5
178.15878	1.4
180.13817	2.4
188.14409	1.2
190.12340	1.8
191.02238	2.6
200.02371	0.9
202.98605	1.4
203.17912	1.5
206.15424	10.9
208.13351	3.0
214.04048	0.8
216.13809	1.9
219.01775	2.2
220.10246	2.2
224.16446	3.8
225.19519	0.7
229.10898	2.6
234.14906	9.2
238.18013	6.4
240.61606	1.2
244.99734	2.7
252.15971	45.6
254.09859	1.9
256.19055	5.1
263.10336	3.2
263.60608	1.1
266.14471	2.7
266.17520	63.4
284.15506	16.6
284.18549	100.0
284.21964	7.2
284.29196	3.8
285.07651	0.9
285.22336	0.9
289.08740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01863	0.2
56.96562	0.5
57.03416	0.3
66.70734	0.1
70.06577	0.5
70.59412	0.5
70.59788	0.3
73.02924	0.4
76.11815	0.1
84.08134	0.2
85.02897	0.4
91.05444	0.2
97.02901	0.2
98.97582	1.8
101.00877	0.6
103.97251	0.1
109.05106	0.4
110.03521	2.0
116.98621	0.7
119.01917	0.7
119.02760	0.2
128.04555	0.3
131.01929	0.3
135.03032	5.5
137.01878	0.3
147.04404	0.2
152.05679	100.0
153.04077	4.5
158.99893	0.3
169.09554	0.1
173.03027	0.2
177.00995	0.9
182.99866	0.2
188.56177	0.1
201.00816	0.4
201.02489	0.4
219.01950	1.6
243.01974	0.9
259.26666	0.1
260.99698	0.5
261.03024	8.6
279.00607	0.7
284.04675	0.2
284.09854	0.5
284.16068	0.2
292.59088	0.2
308.87180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03955	4.0
55.01871	6.2
55.05515	31.1
57.03441	11.9
57.07079	11.9
59.04999	2.4
63.68115	1.8
65.03954	2.2
67.05507	34.6
69.03418	8.7
69.07066	37.2
69.90449	9.8
71.01357	2.7
71.04996	18.5
71.08628	4.0
79.05499	34.6
81.03426	5.2
81.07057	58.2
83.04983	10.4
83.08630	21.2
85.06562	2.4
88.19292	1.9
89.44542	1.9
91.05479	37.0
93.07043	64.8
95.04971	16.3
95.08049	3.3
95.08604	32.9
97.02906	5.1
97.06521	10.0
97.10178	10.5
98.20841	3.3
103.05517	4.3
105.04500	2.0
105.07034	66.3
107.04952	4.1
107.08593	48.3
109.06535	9.3
109.10143	25.4
111.08070	5.6
111.11732	3.9
115.05402	2.5
117.06272	2.5
117.07005	17.4
119.08583	47.3
121.06508	8.7
121.10145	100.0
123.08065	11.7
123.11711	7.0
125.09599	2.8
128.06212	4.6
129.07010	7.5
130.07787	7.6
131.08569	45.5
133.10138	38.0
135.08057	14.0
135.11716	16.2
141.07005	2.9
142.07784	3.6
143.08556	20.5
144.09308	5.7
145.10132	62.5
146.07317	2.5
147.08046	4.7
147.11676	11.3
149.09566	1.9
149.13245	2.7
153.12784	8.1
155.08566	2.4
156.09346	6.7
157.10129	20.3
158.10895	9.1
159.08015	3.9
159.11690	18.2
161.09625	30.0
161.13264	5.7
163.11174	16.5
169.10100	5.7
171.11754	12.9
173.09637	4.2
173.13268	72.8
175.11145	3.6
175.14812	7.7
179.08545	5.2
181.10175	4.4
181.12219	4.3
183.11690	6.9
185.13284	7.9
187.11214	2.3
187.14806	10.9
189.12802	2.9
191.10706	3.3
191.14267	10.6
195.11708	4.8
197.13261	3.7
199.11397	2.3
199.14825	6.0
203.14246	2.5
208.12491	2.5
209.11636	12.1
209.13362	8.0
211.14732	2.4
213.12686	2.6
213.16280	3.2
223.14859	8.2
225.16429	4.7
227.12578	3.5
227.14513	2.9
235.14668	2.4
251.16533	3.1
255.21056	6.5
256.03293	2.3
265.19727	13.2
283.15729	9.8
283.20255	63.3
283.22833	15.8
283.27734	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03940	4.5
55.01859	2.6
55.05513	16.8
57.03433	5.2
57.07065	7.0
59.05003	2.1
67.05174	2.4
67.05508	34.4
69.03412	7.2
69.07073	19.0
69.31635	12.2
69.32039	4.4
71.04995	18.6
79.05502	32.1
81.03416	3.1
81.06587	4.1
81.07059	53.8
83.04964	6.4
83.08621	11.1
85.06539	4.2
91.05486	37.6
93.06476	4.0
93.07048	63.9
95.04969	16.8
95.08601	33.3
97.06545	7.8
97.10161	4.1
98.21626	2.4
99.08105	2.1
103.05438	2.9
105.07031	61.3
106.92503	2.2
107.04930	3.2
107.08589	48.5
109.06504	11.9
109.10154	20.4
111.08089	5.0
115.05450	3.3
117.07006	15.8
119.07800	3.3
119.08587	50.0
121.06493	7.2
121.10147	86.8
123.08054	9.2
123.11681	9.9
125.09621	4.0
128.06201	4.1
129.06981	5.9
130.07762	7.9
131.08569	47.8
133.06491	2.4
133.10129	37.1
135.08064	11.5
135.11697	13.0
135.12570	1.9
137.82947	2.2
141.06932	2.6
142.07762	7.5
143.08569	22.8
144.09372	4.2
145.10126	59.3
146.07224	4.5
147.08041	2.9
147.11649	12.2
149.13278	2.5
153.12744	1.9
154.85608	2.0
156.09375	4.1
157.10147	18.7
158.07207	1.9
158.10878	8.7
159.08018	4.4
159.11678	18.4
161.09636	31.4
161.13225	6.1
163.11156	9.0
163.14819	3.0
165.59117	2.0
167.08586	4.1
168.09444	2.3
169.10132	7.4
170.10892	3.2
171.11652	14.4
173.09677	3.2
173.13264	91.8
175.11159	6.5
175.14807	10.5
179.08543	6.6
181.10147	5.5
183.11679	7.1
185.09720	3.3
185.13287	11.6
187.11076	4.0
187.14859	10.2
189.12723	2.4
191.14316	12.3
194.10933	5.6
195.11693	6.7
197.13255	5.7
199.11168	4.7
199.14848	10.0
201.16383	3.7
209.11600	2.5
209.13286	15.0
213.16374	4.4
215.14337	3.7
223.14833	7.4
225.16402	4.5
227.14362	6.1
239.18019	2.2
251.16347	16.1
255.21088	12.7
265.19675	21.4
283.15729	3.8
283.20535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01876	3.0
55.05513	9.0
56.96555	0.7
57.03185	0.6
57.03439	8.4
57.07058	1.0
63.51353	0.4
67.05508	14.4
69.03425	1.4
69.07067	5.4
70.25243	1.1
70.25638	1.1
71.05013	2.4
73.02900	1.2
77.50584	0.4
79.05493	22.4
81.03425	2.6
81.07062	15.2
83.04987	4.0
83.08617	6.2
85.06528	0.6
91.05480	7.1
93.07049	31.0
95.04982	5.5
95.08611	30.5
97.02894	4.2
97.06536	3.9
98.97547	0.9
99.04459	4.4
103.05463	0.8
105.07037	6.3
107.04302	0.7
107.04962	7.3
107.08600	23.4
109.06506	1.8
109.10148	2.8
111.04433	1.9
111.08065	1.2
113.96375	0.5
117.07011	7.1
119.08591	7.9
121.02826	0.6
121.06522	5.6
121.10155	11.1
123.08043	0.6
125.05997	3.0
130.07761	1.4
131.08534	1.5
133.10127	2.2
135.08041	1.8
135.11702	41.7
139.07590	1.0
139.11183	0.6
143.08549	1.1
145.06467	0.7
145.10126	23.3
147.08080	0.6
153.12749	1.5
155.08510	0.8
163.11192	54.3
165.25893	0.5
173.09612	1.0
181.12241	12.6
191.10652	0.8
209.11760	2.0
227.12790	100.0
283.06033	1.2
283.15411	35.2
301.09430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13483	0.5
53.03936	2.0
53.09841	0.5
55.01876	4.2
55.05514	9.0
57.03195	0.8
57.03439	10.1
57.07052	0.8
63.30575	0.5
65.03947	0.7
67.05181	0.8
67.05509	13.2
67.05846	0.5
69.03437	1.2
69.07070	5.5
69.36929	4.0
69.37334	1.1
71.04974	1.8
73.02914	0.8
79.05495	21.0
81.03397	2.0
81.06590	0.9
81.07059	16.9
83.04983	3.1
83.08221	0.6
83.08622	7.7
85.86358	0.6
91.05482	7.6
93.07045	34.8
95.04979	6.3
95.08608	31.2
97.02894	3.7
97.06539	3.7
97.10133	0.8
99.04472	3.6
103.05450	0.6
105.07043	6.3
107.04964	8.9
107.07870	1.1
107.08599	22.1
109.06501	2.5
109.10120	2.3
111.04432	1.5
111.08052	1.3
114.10069	0.7
115.05405	0.7
116.06194	0.6
117.07027	9.6
119.08588	8.7
121.06499	5.6
121.10145	10.5
123.08032	0.7
125.05986	2.8
127.07561	1.0
129.07027	1.1
130.07784	1.5
131.08568	1.2
133.10112	2.0
135.08061	1.6
135.11696	41.7
138.36407	0.5
143.08575	1.2
145.06560	0.9
145.10130	24.5
145.11290	1.2
151.27879	0.6
153.12782	0.8
163.11186	55.5
173.09683	0.6
181.10597	0.7
181.12227	14.4
189.39995	0.6
209.11806	1.8
227.12785	100.0
265.14496	1.7
283.15414	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	283.1544
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
53.03942	1.3
55.01875	3.7
55.05273	0.6
55.05513	8.3
57.03445	9.6
57.03710	1.4
57.07055	1.1
57.16819	0.8
60.26032	0.7
67.05511	16.2
69.03402	1.2
69.07076	5.6
70.73785	1.9
71.04970	2.3
73.02914	1.5
79.05077	1.3
79.05500	22.9
81.03403	2.6
81.07063	15.8
83.04956	3.9
83.08618	6.0
85.02954	1.1
91.04963	1.0
91.05487	8.0
93.07052	32.9
95.04980	5.0
95.08615	27.3
97.02893	4.8
97.06514	3.3
99.04435	3.5
105.07034	6.5
107.04304	1.0
107.04962	9.6
107.08601	22.4
109.06535	1.8
109.10151	2.3
111.04433	4.3
111.08099	1.4
115.05392	0.8
117.07014	8.7
119.08592	7.7
121.02812	0.9
121.06521	4.7
121.10161	10.3
125.05969	2.6
126.32415	0.9
128.38365	0.8
129.07021	1.1
130.07796	1.8
131.08617	1.0
133.10127	1.9
135.08063	1.7
135.11702	42.4
139.07497	1.4
145.09042	1.5
145.10133	22.0
153.12737	1.7
155.08548	0.9
163.11195	51.4
165.01869	0.9
167.17317	0.8
173.09631	1.9
181.12262	13.6
191.10693	2.4
209.11774	9.2
227.12798	100.0
244.55247	0.7
283.06049	2.9
283.15417	40.9
292.31689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13437	0.6
55.05501	1.9
57.03426	2.2
67.05512	3.1
69.07082	1.1
70.54231	1.7
79.05489	3.8
81.07056	3.4
82.62134	0.5
83.04955	0.8
83.08639	1.6
85.25740	0.5
91.05463	1.8
91.05996	0.5
93.07038	5.8
95.04958	1.4
95.08617	6.1
97.02899	0.6
97.06554	0.8
99.04498	0.6
105.07013	1.0
107.04946	2.2
107.08607	5.2
111.08085	0.6
117.07026	1.5
119.08591	1.5
121.06504	1.4
121.10138	3.0
133.10170	0.7
135.08092	0.5
135.11710	8.2
145.10121	4.9
163.11188	10.7
164.35123	0.5
181.12242	3.1
209.11685	0.6
227.12799	20.7
233.11504	3.3
251.11426	0.8
265.14056	2.0
269.12292	1.9
283.15198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64955	0.4
51.96854	0.4
52.78804	0.4
64.88711	0.4
70.81264	1.1
73.16886	0.4
81.07053	0.4
93.07063	0.5
169.07402	0.5
233.11665	2.1
251.11214	1.9
262.14896	0.5
263.07040	0.6
265.14130	2.5
269.12360	4.8
283.15179	100.0
284.15448	0.7
301.15109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01856	2.7
55.05267	1.5
55.05515	25.9
57.03440	33.4
57.07066	1.7
63.07289	1.1
65.03928	3.6
65.71676	1.3
67.05505	73.8
69.03426	1.6
69.07069	18.6
69.63291	7.4
71.04979	4.3
73.06553	3.0
77.03912	2.5
79.05496	100.0
81.03416	10.3
81.07058	55.5
83.04984	32.0
83.05715	1.5
83.08614	9.6
84.50774	1.2
85.06532	3.2
91.05482	65.2
93.07048	68.9
95.04383	1.5
95.04977	24.4
95.08610	36.0
97.06520	5.6
97.10160	3.9
105.04559	1.7
105.07035	47.9
107.04951	6.4
107.08592	18.5
109.06528	6.2
109.10139	6.1
111.08045	1.6
115.05458	2.2
117.07020	7.5
119.07793	2.2
119.08587	28.1
121.06486	3.9
121.10133	4.2
123.08064	8.4
126.41264	1.1
127.07580	2.9
128.06190	2.1
129.07018	17.3
130.07820	1.1
131.08560	2.9
133.10135	13.2
135.11681	2.7
137.61942	1.5
141.09079	1.8
142.07843	1.1
143.08577	8.7
145.10126	12.1
147.08022	2.7
147.11688	45.8
161.09592	5.2
161.13271	17.2
163.11221	2.8
171.10263	2.0
171.11703	30.9
189.12733	12.9
207.13805	14.9
281.14114	2.5
281.17453	58.3
302.52908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
56.05024	0.5
56.96549	0.8
57.03417	0.4
60.04515	0.3
64.69744	0.4
65.06565	0.3
67.05488	1.0
67.99025	0.4
68.05041	0.5
69.03403	0.3
69.07043	0.7
69.30981	2.5
70.06587	0.6
71.04992	0.3
72.04510	0.3
72.08138	0.6
79.05486	1.3
79.83714	0.3
80.05020	2.0
81.03420	0.6
81.07063	2.0
82.06558	0.5
83.08614	0.3
84.04494	0.6
84.08141	0.7
86.06047	1.0
87.04469	14.8
93.07045	3.4
94.06620	0.3
95.08599	1.6
96.08128	0.5
97.02859	0.3
98.06057	1.2
98.97608	0.7
105.07021	0.3
107.08618	2.0
108.08106	2.0
109.08893	0.5
110.09692	2.3
116.98630	0.3
120.08097	0.6
121.10143	0.4
122.09663	1.7
123.10466	0.7
123.11680	0.7
124.07584	0.4
124.11231	0.8
124.91391	0.3
125.47579	0.4
135.11687	3.7
136.07513	0.7
136.11194	0.8
137.05937	0.4
137.13232	0.3
138.33990	0.3
150.12787	2.6
151.13554	0.5
152.14342	13.4
161.05943	0.9
163.11221	0.8
164.10707	0.4
166.08658	2.7
175.38548	0.3
180.10246	0.4
181.10928	0.7
182.11824	0.4
184.09727	0.9
184.13347	1.2
192.60622	1.0
193.10910	0.4
194.11765	2.6
196.13348	3.3
196.17091	0.6
201.61176	0.6
204.61479	0.3
208.13316	3.9
209.14108	1.1
209.80127	0.3
210.14915	0.5
220.16997	0.5
227.12772	1.0
227.60873	0.4
236.16464	0.9
238.18015	100.0
239.18250	0.5
240.19568	0.7
254.17458	1.0
259.08511	0.4
282.20630	86.2
283.21075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	8.9
55.01850	2.4
55.05266	1.8
55.05514	32.9
57.03188	2.1
57.03437	26.4
57.07069	2.0
64.96304	1.4
65.03938	2.8
67.05506	74.8
69.07063	13.4
70.61287	3.1
71.04982	3.0
73.06540	2.4
79.05494	100.0
81.03410	14.1
81.06583	3.4
81.07059	61.8
83.04982	38.7
83.08631	7.9
85.06515	2.7
86.03978	1.4
91.05484	65.0
93.07045	77.9
95.04971	26.1
95.08604	34.8
97.06511	8.0
97.10153	6.0
105.07029	47.3
105.07617	1.4
107.04965	9.7
107.07961	1.9
107.08604	19.5
109.06536	9.8
109.10152	6.5
115.05431	2.4
117.07011	8.9
119.08577	36.3
121.06509	2.9
121.10099	5.7
123.08095	8.0
127.07518	2.7
128.06236	2.9
129.07014	14.9
131.08565	3.7
133.06569	1.6
133.10152	14.2
135.08086	1.6
135.11687	5.0
143.08548	9.8
145.10115	13.4
147.08029	4.2
147.11687	44.7
161.09607	8.4
161.13260	17.9
171.11685	35.1
179.14244	2.3
179.86069	1.6
189.12825	12.8
207.13788	17.0
213.07787	1.6
276.46317	1.5
281.17474	69.0
288.26569	1.4
302.69479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	7.3
55.01863	4.4
55.05267	2.4
55.05516	32.0
56.96555	1.8
57.03154	1.6
57.03437	29.0
65.03938	3.2
67.05510	76.5
67.67978	1.2
69.03442	1.4
69.07072	12.6
71.04989	4.3
71.08338	2.2
73.06541	1.8
73.58833	1.4
77.03913	2.3
79.05499	100.0
81.03418	12.3
81.07062	65.7
83.04987	34.4
83.08632	8.9
85.06520	2.4
91.05489	63.9
93.07050	69.2
95.04977	26.1
95.08614	37.7
97.06537	7.5
97.10174	5.9
103.05456	1.4
105.04507	2.2
105.07041	48.6
107.04955	9.2
107.08598	23.5
109.06518	8.3
109.10155	7.5
111.08099	1.8
115.05492	2.1
117.07008	9.8
119.07812	1.9
119.08591	29.9
121.06497	3.0
121.10136	5.4
123.08038	7.7
127.07543	2.1
128.06245	3.3
129.07027	17.2
131.08586	3.5
133.10133	14.0
133.38147	1.4
135.11728	3.6
143.08549	9.5
145.10147	10.0
147.08043	4.0
147.11699	40.8
161.09612	5.5
161.13264	16.4
165.09087	1.6
171.11703	37.9
179.14346	2.3
180.89958	1.3
189.12723	14.0
207.13823	19.4
263.12543	3.5
281.10806	3.0
281.13867	5.6
281.17477	67.4
297.39178	1.2
299.11523	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02383	1.5
53.03945	9.9
55.01868	4.6
55.05263	2.1
55.05512	33.1
56.96553	2.6
57.03438	31.0
60.88152	1.2
61.80555	1.4
64.38378	1.4
65.03944	2.3
65.09876	1.5
67.05508	79.7
69.03439	2.2
69.07069	22.0
70.27370	2.5
70.27755	2.8
71.04980	3.5
72.08150	2.6
73.06557	2.0
73.89529	1.3
79.05496	100.0
81.03417	15.5
81.07063	59.6
83.04985	41.7
83.08609	10.6
85.06539	3.8
89.74008	1.4
91.05482	66.8
93.07044	72.5
95.04976	26.8
95.08611	40.2
97.02907	2.0
97.06532	8.3
97.10167	4.3
98.97585	6.3
105.04509	2.9
105.07036	50.4
107.04962	6.8
107.08596	25.3
109.06534	10.1
109.10165	4.6
111.08099	2.7
115.05464	1.8
116.98602	1.6
117.07006	13.0
119.08592	32.4
121.06544	3.3
121.10149	5.2
123.08073	8.7
123.11750	1.7
127.07568	3.1
128.06204	2.7
129.07008	20.6
131.08528	3.9
133.10146	16.7
135.11703	4.6
143.08548	11.2
145.10124	13.2
147.08003	3.3
147.11694	45.2
156.88582	1.3
159.11720	1.5
161.09677	6.9
161.13255	22.8
171.11693	36.6
173.01254	1.7
189.12753	10.9
207.13788	23.1
217.07338	1.6
263.14075	4.1
266.14670	1.5
272.14536	16.0
281.15125	3.1
281.17499	65.9
281.22275	2.9
291.52884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06919	0.8
55.05495	3.0
56.61381	0.7
56.96577	4.4
57.03446	0.9
58.15204	0.8
61.90415	0.7
67.05511	5.4
68.05841	0.7
69.03419	1.6
69.07055	2.4
71.04981	1.0
71.57181	1.5
79.05499	4.1
81.03419	1.4
81.07061	6.7
83.04960	2.4
83.08603	1.6
85.02891	0.9
91.05456	3.2
93.07062	4.6
95.04965	2.2
95.08595	3.0
97.06484	1.2
97.10136	1.1
98.97583	3.2
99.04416	1.0
105.07040	2.0
107.08572	3.5
109.10164	1.8
110.06837	0.8
116.98606	1.9
117.06992	1.0
119.08563	2.2
121.10139	2.1
123.08115	1.3
125.09617	0.9
129.07014	1.9
131.08571	0.9
133.10130	1.7
135.08044	2.8
143.08533	1.1
145.10120	1.2
147.08028	1.1
147.12817	0.8
149.02309	1.7
150.02650	1.8
151.02780	2.0
157.10132	0.9
159.11737	0.8
225.12830	0.9
234.92043	0.9
239.04410	1.6
245.15385	0.9
246.48827	0.9
249.14803	1.3
249.18590	1.0
263.16473	1.0
263.20422	1.2
281.05530	1.7
281.17227	100.0
299.11700	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	281.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87163	0.4
53.03933	0.5
55.05509	1.3
56.96560	1.0
57.03436	0.8
57.07044	0.6
60.11020	0.4
61.54040	0.4
61.59003	0.4
67.05501	2.9
67.41710	0.4
67.78370	0.4
69.07031	1.0
71.04982	0.6
71.57174	0.6
79.05488	1.9
81.03409	0.8
81.07059	2.7
83.08633	0.6
84.95989	0.6
85.02942	0.4
91.05467	1.7
93.07034	2.1
95.04949	1.5
95.08597	1.9
97.06539	0.6
98.97573	2.0
105.07018	0.9
107.04963	0.7
107.08588	1.1
109.06502	0.7
109.10158	0.9
116.98593	0.7
117.07014	0.8
119.08607	1.4
121.06488	0.7
121.10120	0.8
123.08084	1.2
123.11678	0.4
129.07024	0.5
133.10156	0.6
143.08566	0.7
147.11690	0.7
149.02328	1.4
150.02608	0.8
151.02855	0.8
158.99724	0.5
161.09509	0.6
171.11650	0.6
183.53963	0.4
203.14316	0.6
209.79471	0.5
227.14404	0.5
249.14827	0.7
258.10815	0.5
263.12659	0.7
263.16461	2.3
263.19870	0.4
274.30832	0.5
281.13605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01870	1.1
55.05498	4.6
56.96565	2.3
57.03419	2.9
57.07075	1.5
66.46048	1.0
66.75669	1.1
67.05514	8.7
69.07071	5.2
71.04980	0.9
71.57101	1.4
79.05511	8.6
79.17609	0.9
81.07056	8.0
83.04986	2.1
83.08608	1.9
85.06561	1.1
91.05458	5.3
93.07055	7.0
95.04962	3.2
95.08603	6.2
98.97579	3.6
103.24451	0.9
105.07033	4.5
107.04944	1.4
107.08591	3.1
109.06475	1.7
109.10155	2.8
112.99114	1.3
116.98565	1.3
117.07026	1.5
119.08583	3.0
121.10144	2.0
122.71491	1.2
123.08070	3.4
129.06999	1.2
131.08591	1.2
133.10144	2.3
135.11679	1.5
147.08095	1.1
147.11639	2.5
150.02670	3.0
151.02892	2.0
151.07506	1.3
161.13290	1.1
163.03893	1.6
171.11679	1.7
189.12659	1.5
237.11018	4.0
260.11542	1.0
263.12561	70.7
263.16409	3.5
281.13623	100.0
281.17307	5.1
293.29431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46040	3.5
53.03933	5.8
55.01837	5.9
55.05508	22.0
56.96572	22.6
57.01541	4.0
57.03436	6.5
57.07075	6.1
67.05511	28.4
69.07064	16.1
69.34940	7.3
69.35337	34.9
79.05499	23.6
81.03419	22.4
81.07053	22.5
81.07465	3.7
83.04984	7.7
83.08613	4.9
83.92361	4.0
88.22842	3.4
91.05479	15.3
93.07038	18.6
95.04977	9.8
95.08597	19.4
96.01862	6.0
97.06516	5.8
97.10183	6.5
98.20762	8.2
98.97585	14.2
105.07021	15.9
107.04956	8.4
107.08597	14.7
109.06522	7.0
109.10172	9.0
113.00854	4.3
116.98629	7.6
117.07029	4.1
119.08565	13.6
121.06532	6.1
121.10156	8.0
125.02126	5.1
125.09654	6.1
129.06972	6.8
131.01929	8.1
131.08585	6.5
133.10107	7.8
135.11624	5.0
145.10098	6.2
147.11653	3.8
149.02451	4.6
150.02698	6.3
151.02821	9.2
168.95750	9.8
171.11732	6.5
174.90060	5.0
177.00690	4.0
186.96815	12.8
204.97807	5.7
209.11501	28.7
213.12737	5.7
218.05931	4.3
227.06319	4.4
234.92091	7.2
249.07803	4.6
249.14839	14.6
263.12582	10.9
267.08975	7.2
269.10626	5.0
281.13773	100.0
281.16943	5.9
281.21942	7.3
285.10181	4.8
299.11658	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.2
53.28439	0.4
55.01882	0.5
55.05513	8.4
57.03440	1.0
57.07070	5.5
60.95850	0.8
65.03648	0.4
65.03934	2.7
67.05507	93.8
69.03450	0.5
69.07069	9.7
71.04984	1.5
71.36494	0.7
79.05496	13.2
81.07060	100.0
83.04979	1.0
83.08613	5.3
85.06555	1.2
91.05470	5.1
93.07043	13.2
95.04993	1.0
95.08611	82.7
95.23463	0.5
97.02922	0.9
97.06548	2.0
97.10169	3.8
99.08107	0.9
105.07034	3.4
107.08601	10.2
109.06530	1.0
109.10159	47.8
111.08072	0.7
111.11732	1.1
117.07008	1.1
119.08578	2.6
121.02890	1.0
121.10149	8.4
123.08099	1.8
123.11713	26.3
125.09647	0.8
127.07542	0.8
130.61455	0.5
131.08574	4.0
133.10126	3.4
134.99496	1.7
135.08029	1.1
135.11696	5.5
137.09615	1.3
137.13257	10.8
141.09059	0.7
145.10161	3.1
147.11722	2.9
149.02342	25.4
149.09619	1.8
149.13264	3.4
151.11218	0.9
151.14818	2.5
153.00507	1.8
153.09244	0.6
158.03267	3.6
159.11740	3.3
159.12845	0.5
161.13280	1.7
163.11203	1.9
163.14816	1.1
165.12801	1.6
165.16377	1.1
167.10739	1.3
173.13292	3.3
177.12749	1.5
177.16386	1.0
179.14294	1.2
181.12241	2.0
187.14806	2.9
191.14316	1.5
195.13834	2.8
201.16498	0.9
205.15852	0.9
205.25635	0.5
209.15367	3.5
219.21106	1.2
220.59473	0.5
223.16910	3.2
232.59636	0.5
233.22667	0.7
237.18396	1.1
243.21088	4.0
261.22202	6.2
270.81921	0.5
278.64059	1.6
279.13507	5.3
279.19885	3.0
279.23187	58.4
279.63519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.10122	0.9
55.05516	8.1
57.07058	4.0
65.03931	2.1
67.05505	100.0
69.07066	7.8
70.80968	1.2
70.81312	2.1
71.04999	1.3
73.06567	0.9
79.05487	11.9
81.07058	99.0
83.08624	4.8
91.05479	3.5
93.07038	8.5
95.08607	66.9
97.10172	2.7
99.04539	1.1
105.07030	3.1
107.08595	5.1
109.10155	45.7
111.11707	1.1
114.35489	0.9
119.08544	3.1
121.10139	4.9
123.08035	1.2
123.11710	27.5
131.08549	2.1
133.10141	2.3
135.11678	3.3
137.09653	1.4
137.13243	10.5
145.10103	2.3
147.11696	2.7
149.02341	20.1
149.13257	2.2
151.14813	2.2
159.11713	1.6
163.14789	1.4
173.13246	2.9
177.12770	1.3
177.16437	1.1
187.14877	2.3
195.13855	2.2
201.16383	1.0
209.15405	3.2
221.36737	1.0
223.17006	2.1
243.21104	2.3
261.22217	4.0
279.23193	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.03189	0.7
53.03935	1.0
55.05515	6.6
57.07079	3.4
58.04705	0.6
60.93201	0.6
63.37216	0.6
65.03945	2.9
67.05507	92.2
69.07071	8.7
69.27339	0.6
69.44756	1.7
69.45168	2.9
69.65987	0.6
71.04978	1.1
71.08613	1.0
79.05497	10.7
81.07058	100.0
83.08625	5.1
85.06535	1.5
91.05463	3.2
93.07050	10.7
95.08608	79.9
97.06543	2.0
97.10183	2.5
99.08097	0.7
105.07020	3.0
107.08588	7.4
109.06551	1.2
109.10160	25.2
111.08105	1.0
111.11768	0.8
111.25565	0.7
116.25433	0.6
117.07023	1.7
119.08589	2.8
121.10146	6.1
123.08051	1.5
123.11713	16.8
127.07599	0.8
131.08571	4.8
133.10123	2.8
135.08131	0.9
135.11713	3.5
137.09669	1.3
137.13252	11.8
141.09084	0.7
145.10139	2.6
147.11685	3.2
149.02350	11.1
149.09624	1.1
149.13283	3.3
151.14828	3.9
153.09138	0.7
159.11693	3.9
161.13232	2.1
163.11205	1.4
163.14810	2.1
165.12764	1.2
167.10730	1.1
173.13280	7.2
177.12732	2.0
179.14359	0.9
181.12239	1.7
187.14784	3.1
191.14351	2.1
195.13785	3.6
203.37152	0.6
205.15886	1.5
209.15337	4.0
223.16963	3.6
243.21098	2.0
261.22079	4.2
279.23193	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	1.6
55.01869	0.6
55.05513	9.5
57.03440	0.9
57.07078	7.6
59.05002	0.4
65.03943	2.8
66.85155	0.3
67.05506	99.4
69.03389	0.4
69.07070	10.0
70.65139	1.0
71.04990	1.4
72.79942	0.4
73.14155	0.3
74.03640	0.3
77.03927	0.5
77.43738	0.3
79.05494	13.0
81.03415	0.5
81.07059	100.0
83.04984	1.3
83.08611	6.0
85.06542	1.4
85.10192	1.8
87.04463	0.4
91.05473	4.9
93.03418	0.4
93.07047	12.8
95.04993	0.8
95.08608	81.7
96.08906	0.4
97.06544	1.5
97.10171	4.0
99.08107	0.9
101.06010	0.4
105.07037	4.5
107.08598	9.1
107.09297	0.7
109.06564	0.7
109.10159	49.8
111.08083	0.9
111.11736	1.6
113.06001	0.4
113.09663	1.3
117.07011	1.8
119.08580	3.6
121.02877	5.7
121.06476	0.7
121.10143	8.9
121.11035	0.6
123.08067	1.7
123.11712	26.7
125.09621	0.6
125.13297	0.5
127.07589	0.7
129.09192	0.4
131.08580	4.4
133.10152	4.2
135.08061	1.5
135.11705	5.0
137.09639	1.3
137.13257	10.7
139.11206	0.7
141.09120	0.5
145.10136	3.3
147.11720	3.7
149.02347	40.4
149.09648	1.9
149.13264	3.8
151.11201	1.6
151.14810	3.3
153.09056	0.6
155.10680	0.5
159.11693	3.0
161.13268	2.1
163.11165	2.0
163.14792	2.1
165.12776	1.2
165.16344	0.9
167.03300	0.7
167.10689	1.2
173.13245	3.4
175.14917	0.4
177.12755	2.0
177.16400	1.3
179.14345	2.0
181.12215	1.9
183.47433	0.3
187.14790	3.0
191.14346	1.9
195.13765	2.4
201.16434	1.0
205.08641	0.4
205.15846	1.3
209.15379	3.4
219.21126	0.9
223.16934	4.1
233.22607	0.6
237.18521	1.0
239.28992	0.3
243.21075	4.8
247.13376	2.1
249.31371	0.3
261.22153	7.1
279.09436	0.7
279.19833	3.5
279.23181	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
56.96555	0.7
57.03453	0.5
57.07074	5.4
58.88686	0.4
61.87244	0.4
64.92265	0.5
67.05501	2.0
69.07059	0.7
71.07717	0.9
75.65725	0.4
76.28340	0.4
79.05508	0.7
81.07070	2.5
86.09714	100.0
87.04482	1.3
88.04820	0.5
92.57127	0.5
93.07063	1.0
95.05065	0.6
95.08600	1.5
96.20049	0.5
98.97594	1.6
103.05497	1.8
109.10166	1.0
111.29341	0.4
112.03664	0.4
116.98595	0.9
120.08120	39.7
121.02879	1.4
122.68188	0.4
123.11735	0.9
131.04965	0.5
132.10210	0.7
149.02357	38.1
158.99600	0.5
166.08650	11.0
167.03386	0.6
169.16003	0.4
173.45679	0.4
177.00597	0.5
193.14207	1.5
194.37434	0.5
211.95911	0.5
233.16600	1.5
279.03848	0.5
279.09970	0.9
279.17413	10.3
279.23541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05043	0.5
57.05819	0.6
57.07077	2.5
57.17090	0.2
58.06591	0.3
66.26622	0.2
67.05505	2.4
69.07072	11.6
70.06581	0.6
71.13869	0.3
71.21095	0.3
71.21468	0.5
79.05507	0.3
81.07066	1.9
84.08132	0.4
86.09711	100.0
87.10030	0.3
92.05014	0.4
93.07045	0.3
95.08595	1.9
98.97599	1.1
103.05453	0.3
109.10169	0.8
110.63637	0.3
110.97606	0.5
116.98640	0.3
120.08112	7.4
121.02887	1.0
123.11732	0.4
125.06178	0.3
129.78304	0.3
136.59384	0.3
149.02354	20.6
158.99706	0.6
166.08649	6.2
176.13660	0.2
185.04051	0.3
189.00787	0.4
205.14249	0.5
221.88974	0.2
233.16820	0.3
261.20517	2.8
279.09735	0.3
279.17041	4.9
279.21234	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97334	0.5
55.01874	0.7
55.05513	35.0
57.07078	10.5
58.99583	14.8
60.08155	1.4
64.99428	0.6
65.03930	1.1
67.05498	5.8
69.61540	4.3
70.06576	1.8
72.08131	0.8
73.01130	1.0
76.02231	5.2
76.03997	2.9
79.05476	1.0
79.32463	0.6
81.07066	4.5
83.08622	31.2
84.08141	1.1
86.99057	13.8
88.02235	2.9
88.51976	0.6
95.08617	2.8
98.97572	2.9
99.00822	0.7
101.09676	2.5
107.08590	0.7
109.10154	1.6
115.05806	0.7
116.01680	54.0
116.98602	0.7
119.04949	1.0
121.02862	3.0
123.04440	0.8
123.11732	1.0
128.98651	0.6
129.07281	0.9
129.10303	0.6
131.04936	0.7
136.07555	0.6
137.05984	1.1
144.01146	24.2
145.06483	0.9
146.06023	1.2
147.04457	1.9
149.02345	71.4
150.54414	0.6
158.99632	0.9
159.08392	7.6
162.02206	100.0
163.02570	0.6
167.03387	1.5
170.99554	0.9
173.05925	1.0
177.00720	1.0
197.05885	0.6
205.08624	1.5
215.06966	0.7
219.06549	0.7
237.02730	0.7
244.10033	1.0
261.10944	0.7
262.11093	27.2
279.13565	6.7
279.18137	1.0
279.23489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69347	3.2
55.05497	3.2
57.07066	4.7
58.06594	5.7
67.05499	13.0
69.07057	11.1
70.06586	3.3
71.08114	4.2
71.08440	3.3
72.65289	2.9
74.20293	3.6
79.05498	12.3
81.03423	10.5
81.07049	6.0
83.04978	4.1
86.06080	4.0
88.07632	18.0
89.34239	3.0
91.05469	11.7
93.07022	6.6
95.08639	6.3
97.06527	18.5
98.06867	11.7
104.07152	4.8
105.07049	6.6
107.08601	8.4
121.10191	8.2
131.08575	6.1
132.10197	6.1
133.10158	8.3
147.11679	8.9
149.02325	13.3
149.09657	9.1
157.10126	9.0
163.03941	7.6
164.04263	13.6
169.03392	4.3
174.02666	6.3
175.11195	8.7
186.18541	39.3
188.88135	3.5
192.03732	4.4
193.12267	28.3
211.13313	87.7
215.07111	4.8
216.07422	6.7
221.32674	3.7
225.14926	5.5
230.21158	11.9
241.54787	3.3
260.10074	14.9
278.23297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1754
Annotation	Huperzine S
Peak:m/z	Relative Intensity
52.14770	0.3
55.01844	0.6
55.05506	0.7
56.96555	0.9
56.98607	0.3
57.03426	0.3
57.07059	1.2
58.07383	0.4
65.03945	0.4
67.05501	0.9
69.03419	1.3
69.07068	0.6
69.59715	0.9
69.60130	1.5
70.06603	2.3
72.08141	1.5
79.05479	0.9
80.04993	0.5
81.03400	0.4
81.07051	1.0
82.34020	0.4
83.04996	0.4
84.04498	0.9
84.08134	1.2
85.02911	0.7
86.06071	0.4
86.09720	2.3
87.04473	27.8
91.05470	1.6
93.07042	1.2
95.04955	0.4
95.08621	0.9
97.02892	0.6
98.06037	0.5
98.97575	1.2
106.06546	1.0
107.08560	0.5
110.07169	1.6
116.07088	0.7
117.05759	1.0
118.06517	1.1
119.04921	0.6
119.08556	0.7
120.08112	5.7
121.08914	3.8
121.10147	0.7
122.09690	0.4
129.10211	0.7
130.06538	3.9
134.09656	3.6
135.10458	2.5
135.11369	0.3
136.11227	0.8
143.00166	0.4
144.08084	1.5
145.08875	22.2
146.09654	7.0
147.04408	1.7
147.11678	0.5
148.11139	0.4
149.02344	4.5
150.09186	0.4
158.09625	1.0
159.10422	3.1
163.09938	0.6
167.60594	0.4
172.11189	0.9
174.12793	31.0
177.00688	0.5
184.07361	0.4
187.68039	0.4
192.13846	41.0
215.90822	0.4
216.16010	0.7
278.17532	100.0
279.17990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	2.9
54.87090	0.5
55.01875	10.6
55.05511	16.3
56.96574	2.5
57.03424	1.4
57.07082	3.8
59.05004	0.6
65.03938	1.3
67.05508	31.9
69.03415	0.6
69.06730	1.0
69.07072	13.3
69.95906	2.6
71.04992	2.8
71.08636	13.3
73.06515	0.5
77.03927	0.7
79.05495	35.3
81.03411	3.2
81.07060	33.9
83.04982	4.7
83.08621	9.7
85.06523	2.0
85.10162	1.0
91.05486	20.5
93.07046	48.7
95.04978	8.1
95.08610	25.0
95.09239	0.8
97.06524	7.0
97.10182	4.0
98.20806	0.8
99.07472	0.9
99.08098	12.0
105.04504	0.9
105.07035	15.7
107.04967	2.9
107.08595	23.8
109.06532	3.6
109.10161	11.2
110.97539	0.6
111.04417	0.6
111.08083	10.7
113.09629	2.3
113.32188	0.5
117.07015	4.1
119.08585	11.4
119.09431	0.4
121.06492	2.4
121.09319	1.1
121.10149	16.4
123.08068	3.2
123.11691	3.4
125.09632	1.2
127.82018	0.5
128.06258	0.9
129.07028	2.7
131.08578	4.6
133.06438	1.0
133.09137	0.5
133.10135	12.3
135.08089	2.5
135.11690	18.2
137.09666	1.2
137.13240	1.4
139.07530	1.0
139.11162	1.6
141.08975	0.5
141.12749	2.8
143.08540	3.2
145.10112	5.9
147.04378	1.5
147.08070	1.2
147.10637	0.9
147.11697	10.1
149.02313	1.7
149.09619	2.1
149.13254	10.3
151.11186	9.8
153.09077	0.9
153.12759	2.1
157.10141	2.7
159.11713	2.6
161.09648	2.1
161.13245	8.6
163.03828	0.7
163.11188	11.1
163.14844	3.9
165.09103	0.8
165.12766	5.9
167.10767	0.9
169.12257	1.9
171.11685	3.6
173.13249	1.6
175.09657	0.8
175.11217	2.0
175.14822	3.4
177.12744	2.1
179.10812	0.6
179.14282	4.8
181.12189	1.2
185.13249	3.4
187.14862	0.7
189.12788	1.9
191.14323	0.6
193.12236	1.5
193.15915	0.8
195.13817	0.7
199.14801	1.7
203.12619	0.8
203.14322	1.4
207.11758	0.5
207.13757	2.3
213.08008	6.2
217.19574	1.7
221.15329	2.7
222.72321	0.6
231.09056	7.3
231.15627	1.0
231.17639	0.6
231.21107	3.0
235.16985	1.6
241.19540	4.9
249.22064	2.9
254.11287	1.1
259.15094	4.3
259.20569	10.4
277.21628	100.0
297.96097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03942	3.4
55.01863	3.4
55.05265	1.3
55.05513	15.2
56.02398	0.9
57.03438	6.1
57.07072	2.5
60.92979	0.9
65.03935	1.9
67.05508	37.3
67.10836	0.8
69.06723	1.3
69.07074	15.1
69.36143	7.7
69.87431	0.8
71.04968	2.1
71.08636	23.1
77.03915	1.2
79.05499	52.7
81.03439	4.4
81.07063	47.5
83.04993	4.9
83.08627	10.1
85.06538	2.6
91.05488	25.6
93.07049	80.8
95.04980	7.0
95.08611	33.7
97.06531	4.3
97.10199	4.9
99.08095	14.7
105.04506	1.1
105.07033	18.0
107.04938	3.5
107.08599	52.3
109.06506	3.8
109.10165	12.7
111.08080	2.2
113.09627	2.0
117.07037	5.7
119.07805	1.2
119.08591	14.3
121.06492	1.4
121.10152	39.1
121.11037	1.9
123.08078	3.0
123.11723	3.0
125.09608	1.0
129.07024	1.7
131.08569	6.3
133.10153	11.4
135.08084	1.6
135.11697	50.9
137.09633	3.4
139.11148	1.1
141.09111	2.9
143.08568	3.6
145.10159	4.6
147.11703	9.4
149.09579	1.0
149.13251	17.2
151.11188	8.7
151.42041	0.9
153.12730	0.9
157.10118	1.8
159.11691	5.4
161.13275	8.0
163.11194	4.0
163.14816	4.1
165.12740	1.3
167.10739	3.1
171.11668	1.7
173.13290	2.3
175.11203	1.0
175.14833	2.9
177.12808	2.6
179.14333	30.6
181.12231	1.8
185.13254	2.1
187.14827	4.7
189.12758	2.1
195.13791	2.8
199.14871	1.9
205.15984	1.4
207.13768	1.1
221.15410	4.1
235.16942	3.4
241.19522	4.4
255.68324	1.1
259.20572	9.4
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.38140	1.4
53.03937	6.0
55.05274	1.5
55.05515	18.9
57.07075	3.0
65.03907	1.2
65.53915	1.2
67.05179	2.3
67.05509	33.0
69.07069	12.5
69.80547	8.0
71.04980	2.0
77.03932	3.5
79.05494	73.3
81.06581	1.8
81.07055	28.2
83.04984	2.7
83.08631	7.6
85.06543	2.6
91.04968	2.4
91.05487	30.6
93.07048	100.0
95.04951	5.1
95.08603	19.7
97.06548	1.7
97.10149	4.0
99.08114	1.2
105.04510	3.9
105.07029	14.2
107.08601	49.0
109.06506	1.6
109.10143	11.4
111.77956	1.3
117.06999	3.1
119.08606	9.2
119.22104	1.5
120.11973	1.3
121.10149	47.2
123.08036	1.5
123.11705	3.8
129.07001	2.5
131.08553	3.4
133.10149	12.4
135.08116	1.5
135.11694	51.0
136.63129	1.4
143.08563	2.6
145.10155	3.2
147.11705	7.6
149.09636	2.5
149.13260	24.8
156.71635	1.3
157.10107	1.4
159.11688	4.0
161.13258	6.1
163.11205	1.8
163.14850	6.3
170.17404	1.2
171.11592	2.8
173.13290	2.6
175.14793	3.2
177.12816	2.0
177.16316	1.6
185.13246	2.6
189.12733	2.5
199.14830	2.7
203.14221	1.5
207.13831	1.7
221.15428	3.9
235.16974	6.4
241.19559	3.3
259.20535	4.8
277.21634	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.19525	1.5
53.03931	5.9
55.01869	1.6
55.05518	14.4
57.07063	3.4
57.17913	1.2
63.68711	1.4
65.03918	1.8
66.92205	1.7
67.05507	30.2
69.07069	12.8
69.28387	6.7
69.28806	7.4
71.04995	1.8
73.12933	1.5
79.05496	63.3
79.74911	1.4
81.07067	29.7
83.04953	2.1
83.08609	8.3
85.06523	2.1
91.05485	24.9
93.07046	90.0
95.04965	4.2
95.08617	22.2
96.03605	1.5
97.10152	3.3
105.07039	13.7
107.08601	44.8
109.06488	1.6
109.10159	15.0
117.07003	3.6
119.08567	9.7
121.10141	39.7
123.11736	2.5
131.08557	5.0
133.10156	12.3
135.11696	60.2
141.55952	1.5
145.10100	3.8
147.11720	7.8
149.09613	1.7
149.13268	27.6
159.11670	3.3
161.13252	3.8
163.14838	7.2
171.11588	1.8
175.11345	1.6
175.14824	1.8
180.41370	1.3
185.13327	2.4
195.13811	3.8
199.14899	1.8
207.13834	1.5
221.15401	4.1
235.16908	3.9
241.19482	2.6
259.20490	4.7
277.21634	100.0
284.74768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02380	1.2
51.16237	1.2
53.03940	5.1
55.05510	17.2
55.15814	1.2
57.07069	3.1
65.03945	1.7
67.05509	26.9
69.07076	13.5
69.83131	4.4
69.83552	2.2
77.03925	2.0
79.05497	72.9
81.07059	30.4
83.04984	1.6
83.08617	6.2
85.06544	1.4
91.05483	23.8
93.07049	100.0
95.04965	4.7
95.08616	22.3
97.06522	2.2
97.10158	3.3
98.21520	1.2
105.04523	1.7
105.07034	12.9
107.08603	47.8
109.06500	2.1
109.10162	9.7
117.07006	3.9
119.08553	9.2
121.10150	48.1
123.11716	2.6
131.08539	4.2
133.10135	12.8
135.11697	46.5
137.09560	1.2
143.08554	1.8
145.10123	2.5
147.11670	6.4
149.13286	20.4
157.10092	1.7
159.11697	3.1
161.13231	3.3
163.14798	4.3
167.10686	1.3
171.11658	2.7
173.13242	1.9
175.14885	2.1
180.69847	1.1
185.13206	2.3
189.12776	1.6
195.13773	2.3
199.14832	1.6
213.16438	2.6
221.15388	4.5
235.16978	2.0
241.19453	2.4
259.20563	4.4
277.21637	78.0
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
52.71399	1.0
53.03945	4.0
55.01868	1.7
55.05264	1.6
55.05514	20.6
57.03436	7.5
57.07056	1.3
67.05510	31.3
69.03407	1.2
69.07072	16.2
71.04983	1.6
71.22089	2.2
74.25648	1.1
77.03929	1.5
79.05496	54.6
81.07063	38.3
83.04987	1.6
83.08620	8.7
83.86362	1.2
85.06550	2.8
91.04960	2.0
91.05484	22.4
93.07047	77.0
95.04954	4.4
95.08607	27.6
97.06510	2.4
97.10155	3.5
99.08086	2.2
105.04506	1.4
105.07047	14.7
107.08598	47.8
109.06537	4.0
109.10159	13.9
114.82478	1.4
115.07574	1.2
117.07014	4.2
119.08578	13.6
121.10146	45.6
123.08000	2.0
123.11726	4.9
129.07008	2.7
131.08585	6.8
133.10139	12.5
135.08067	2.1
135.11699	37.8
137.09634	2.6
139.11171	1.6
143.08563	1.5
145.10143	5.7
147.11697	9.9
149.13261	18.5
151.11201	2.1
157.10094	1.7
159.11716	6.3
161.13306	3.7
163.11118	2.0
163.14801	5.3
171.11684	3.4
173.13263	3.4
175.14856	3.3
177.12825	1.4
185.13293	3.3
187.14784	6.8
195.13797	3.5
199.14825	2.3
203.14311	1.1
205.15839	4.2
207.13788	1.9
213.16339	1.9
221.15367	2.5
221.18967	1.4
235.16914	3.1
241.19547	3.3
259.20618	8.1
277.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03942	6.3
55.01879	4.7
55.05516	18.5
56.96571	1.0
57.07065	4.2
67.05510	36.5
69.07072	16.8
69.88964	5.3
71.04996	3.5
71.08623	3.2
77.03924	1.8
78.91061	0.9
79.05497	62.4
81.03415	2.3
81.07063	35.5
83.04969	2.7
83.06831	0.9
83.08629	9.1
85.06533	3.4
91.05485	26.9
93.07050	97.6
94.53930	0.9
95.04984	6.2
95.08613	26.8
97.02893	1.1
97.06533	3.9
97.10155	3.2
99.04484	1.1
99.08097	1.4
105.04504	1.8
105.07030	16.6
107.04924	1.9
107.08602	49.6
108.00830	1.0
109.06528	4.0
109.10163	12.9
109.43787	1.0
111.08083	3.4
113.05997	1.0
117.07016	4.4
119.08590	12.8
121.10153	44.6
123.08064	1.6
123.11723	3.3
125.09624	2.6
125.10568	1.0
127.07510	1.3
129.07033	2.9
131.00189	2.1
131.08572	5.3
133.10133	14.8
135.08102	1.8
135.11702	46.3
137.09615	1.8
137.13174	1.1
143.08597	2.8
145.10146	5.7
147.11676	10.4
149.01201	2.2
149.09650	2.9
149.13274	20.9
151.11179	1.3
153.09132	1.2
156.03613	3.5
157.10197	2.4
159.11674	3.9
161.09587	1.4
161.13240	5.1
163.11142	2.3
163.14836	7.0
165.12827	1.6
167.54475	1.1
171.11678	3.5
173.13309	2.4
175.11197	2.9
175.14822	3.9
177.12723	1.4
177.16365	1.2
179.14355	1.2
181.12274	2.3
185.13313	1.9
189.12732	1.1
193.12219	1.3
195.13799	2.3
199.14906	1.6
207.13782	3.1
210.80719	1.1
213.16365	1.8
217.15916	1.4
219.73889	1.2
221.15376	3.6
231.17407	1.1
235.16994	4.2
241.19528	3.1
246.43576	1.0
259.20557	6.9
277.13776	5.7
277.21640	100.0
293.70187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02375	1.1
53.03954	3.4
55.01884	3.5
55.05261	1.2
55.05514	17.3
56.05839	1.0
56.96562	1.9
57.03433	1.8
57.07092	3.7
65.03949	1.7
65.24129	0.7
67.05508	35.5
68.05846	1.2
69.03416	1.0
69.06720	1.1
69.07076	16.3
70.08916	1.7
70.09268	1.3
71.04985	2.9
71.08634	14.5
74.52630	0.7
77.03909	0.8
79.05497	51.4
80.05849	1.8
81.03425	4.9
81.07060	38.2
82.07385	1.4
83.04990	4.3
83.08622	9.3
85.02921	0.8
85.06551	2.1
91.05484	27.1
92.05819	3.1
93.07049	62.8
94.07388	1.7
95.04971	6.6
95.08611	22.5
96.08939	0.9
97.06541	3.2
97.10182	3.3
99.08099	11.5
103.05482	0.9
105.04533	1.6
105.07036	20.0
106.07376	3.1
107.04951	3.7
107.07857	1.1
107.08595	33.9
108.05267	0.9
109.06546	3.0
109.10164	10.9
111.08089	3.0
112.55560	0.6
115.05355	0.7
117.07028	4.3
118.07357	0.7
119.08583	13.5
120.08934	1.9
121.06529	7.8
121.09324	1.0
121.10143	22.1
123.08097	2.7
123.11718	3.5
125.09673	1.2
128.06218	0.8
129.06996	3.7
131.08582	5.7
132.08871	0.7
133.06541	0.9
133.09227	1.2
133.10135	10.4
134.10492	2.1
135.08066	4.2
135.10788	1.5
135.11700	25.6
137.09665	1.4
137.13322	0.8
139.11160	1.2
141.12759	3.1
143.08589	3.2
145.10132	6.9
147.08025	1.5
147.11700	9.2
148.12059	1.3
149.02374	1.1
149.09645	1.1
149.12210	1.2
149.13287	14.6
151.11208	7.7
157.10150	2.4
159.11732	3.7
161.09688	2.1
161.13268	8.2
162.13678	0.7
163.11180	11.8
163.14841	5.1
165.12756	2.7
167.10701	1.2
167.26318	0.7
169.12242	1.0
171.11713	3.9
173.13287	2.4
175.11243	1.6
175.14883	3.7
177.12744	2.6
179.10606	0.7
179.14282	3.4
184.77263	0.8
185.13290	2.7
187.14798	1.0
189.12766	2.1
195.13861	1.0
199.14833	2.1
207.13808	2.1
213.08072	3.2
213.16467	0.8
217.15910	0.7
217.19498	1.6
221.15439	2.9
231.09058	2.4
231.17494	1.2
231.21072	1.8
235.16867	3.4
241.19475	4.6
249.21910	0.9
254.11290	1.0
259.20605	9.3
277.08978	2.0
277.18112	4.3
277.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
55.32085	8.0
55.67826	9.8
56.96575	17.1
70.06030	48.0
76.03069	8.4
98.97596	28.7
101.00896	17.5
102.86455	8.8
119.01943	18.4
131.01891	9.8
133.03476	17.6
143.01859	12.3
161.02988	22.1
173.02924	12.1
219.02103	11.5
258.99921	19.8
260.92090	9.4
277.00693	15.0
277.03326	100.0
277.07242	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	276.1961
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05517	1.6
56.96558	0.3
57.03431	0.6
58.96106	0.2
59.05003	2.4
67.05491	0.7
69.07077	0.5
69.22440	1.4
69.22869	0.7
73.06573	0.2
79.05499	0.8
81.03421	0.6
81.07053	1.0
83.08656	0.2
88.97605	0.2
91.05489	0.9
92.05785	0.2
93.07038	0.9
95.05005	0.3
95.08614	0.6
95.89574	0.2
96.09006	0.2
97.02904	0.3
97.06516	0.7
98.97594	0.4
104.10753	0.3
105.07030	1.1
106.07364	0.4
107.08589	0.4
109.06486	0.3
111.04345	0.2
111.12681	0.2
117.07016	0.3
118.06550	11.6
119.07347	0.6
119.08587	0.7
120.08110	0.3
120.08939	0.3
121.10123	0.5
131.08569	0.4
132.08075	4.0
132.08963	0.5
133.08871	2.5
133.09982	0.4
134.09641	0.7
134.10477	0.5
135.04486	0.3
135.11658	0.4
145.10136	0.6
146.09636	3.7
146.10619	0.3
147.04381	0.2
147.10420	0.6
147.11650	0.4
153.12790	0.3
160.11189	0.2
161.12038	0.4
161.13289	0.2
163.02650	0.2
163.03908	0.7
163.11235	0.6
173.09619	0.3
176.14355	58.1
177.14630	0.3
191.10692	0.4
209.11731	1.1
215.06836	0.3
216.13994	0.2
219.47029	0.2
223.13326	0.6
227.12805	0.3
232.13385	0.6
233.14276	0.5
234.14880	0.4
258.19513	0.3
259.09683	0.9
276.19595	100.0
277.19846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
53.97358	2.6
55.01659	3.0
55.01879	29.5
55.05513	100.0
56.05040	17.3
56.96553	6.1
57.03429	8.2
57.07068	3.9
59.04995	4.7
59.11695	2.7
60.24679	2.6
67.05508	48.5
68.05844	4.0
69.03433	10.1
69.07082	30.0
71.01351	12.9
71.04996	6.6
71.27877	2.8
71.28213	4.2
72.04520	59.3
79.05497	75.9
81.03042	2.4
81.03423	67.5
81.07059	61.3
82.07399	2.9
83.04984	47.7
83.08615	34.4
85.02909	9.8
91.05485	50.5
92.05814	7.0
93.07051	57.8
94.07367	3.7
95.04956	19.9
95.08619	34.3
97.02895	26.4
97.06544	18.2
97.10172	49.1
98.97578	9.2
99.04492	2.6
105.04494	3.3
105.07037	33.2
106.07384	12.4
107.04964	21.0
107.08607	48.1
109.02850	2.6
109.06532	6.4
109.10167	7.8
111.04453	14.8
111.08100	5.5
117.07025	24.5
119.08581	33.5
120.08891	8.7
121.06490	8.9
121.10163	25.7
123.04433	2.7
123.08065	6.8
125.09638	28.5
129.06984	8.6
130.07771	4.7
131.08571	27.6
132.08853	5.3
133.10164	13.4
134.10448	10.4
135.08041	9.3
135.11687	48.8
141.07689	2.5
143.08562	3.2
145.06445	4.4
145.10126	42.4
146.10484	5.3
147.08061	8.3
147.11679	6.5
148.12035	6.1
149.09564	3.3
153.12759	35.5
155.08586	7.8
158.99612	5.7
160.11990	3.1
163.11194	67.0
173.09668	15.2
173.13223	2.9
181.12228	4.1
191.10675	5.2
258.19324	5.1
276.13501	2.6
276.20462	59.3
276.23236	6.1
277.21542	3.8
289.60162	2.6
296.65283	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	276.1078
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
51.20776	0.4
53.03939	1.6
55.01870	0.7
55.05501	1.1
55.93526	0.6
56.05034	1.6
56.96564	2.2
57.81833	0.4
58.49568	0.4
60.04530	7.2
60.50533	0.4
68.05038	1.3
69.03432	3.7
69.04541	1.0
69.07056	0.7
69.82231	1.3
69.82625	0.7
70.02964	1.2
70.06593	4.0
71.04986	1.1
72.04510	1.0
72.08144	1.3
72.93785	0.8
76.02222	0.5
79.05496	0.7
80.05006	1.7
80.91987	0.4
81.03424	4.5
81.07064	0.6
82.06584	1.2
83.01341	0.9
84.04039	0.7
84.04507	9.7
84.08160	3.0
84.96019	0.5
85.02905	0.8
86.09706	13.9
87.05615	1.4
89.38737	0.4
91.05505	0.7
96.04495	18.4
97.02895	4.7
97.06546	2.3
98.06059	9.2
98.06850	1.3
98.97565	1.6
99.04446	2.1
99.05591	0.9
100.03977	0.6
101.02349	0.6
108.04501	1.0
109.02888	5.6
110.06025	0.7
110.97569	0.4
114.05527	1.5
116.07099	0.7
116.98617	0.6
117.06622	1.2
119.04953	1.0
120.01958	0.5
120.08067	0.7
124.03970	1.0
124.99112	0.8
126.05524	18.6
127.03913	2.5
128.10651	1.0
128.98596	0.6
129.10240	1.0
132.10205	2.3
132.95836	0.9
136.07518	0.4
138.05507	100.0
139.05922	0.6
142.08650	0.8
144.06563	21.2
144.95825	0.6
145.01738	0.5
145.06081	1.3
146.99564	0.6
147.04420	3.8
157.58897	0.4
159.11391	0.6
163.02615	0.5
168.06569	19.9
173.12869	11.7
174.96912	1.2
186.07628	14.3
201.12373	2.6
205.11842	0.9
216.18761	0.5
258.02951	0.6
275.99274	0.5
276.11127	9.9
277.09048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	1.1
55.01869	1.8
55.05261	0.8
55.05516	10.7
57.07071	0.6
65.03940	1.0
67.05174	0.8
67.05507	12.7
68.08992	0.7
69.07071	8.2
71.04992	1.2
71.21509	1.2
73.06564	0.8
77.74128	0.6
79.05071	0.8
79.05498	14.1
81.07059	16.1
83.04990	2.1
83.08604	3.4
85.06541	1.5
91.05486	32.3
93.07045	12.9
95.04962	1.7
95.08612	8.6
97.06525	1.6
97.10175	1.7
98.67280	0.6
103.05460	2.5
105.07035	50.2
106.12770	0.5
107.04948	2.4
107.08609	9.6
109.06506	2.1
109.10164	3.8
111.08064	1.4
117.07014	8.2
119.08588	29.6
121.06490	1.3
121.10164	4.4
123.08048	1.4
123.11716	0.8
125.09623	0.7
129.06995	1.9
131.08585	12.6
132.09386	0.9
133.10139	32.0
135.08070	2.5
135.11700	2.1
137.09618	1.1
143.08592	2.0
145.10135	13.0
146.10814	0.7
147.08078	0.9
147.11691	18.0
149.09627	2.6
149.13312	1.3
151.11115	0.8
155.08522	0.7
157.10123	2.2
159.06808	0.5
159.08165	0.7
159.11691	7.8
161.09631	0.7
161.13266	4.9
163.11209	1.8
165.09151	0.7
169.10028	1.1
171.11696	2.6
173.13214	4.7
175.11221	0.9
177.12706	1.3
183.11748	1.7
185.13315	1.2
197.13268	2.2
201.12814	0.9
201.16409	0.6
211.14734	0.6
219.13802	1.3
229.19498	1.6
233.15440	0.9
239.18001	2.4
244.62047	0.6
247.20560	1.1
257.19070	7.3
275.20074	100.0
279.73395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	1.3
55.01865	2.2
55.05260	0.9
55.05512	11.9
57.03431	1.0
67.05170	1.0
67.05506	13.3
69.07069	7.7
70.82098	0.8
70.82436	1.3
71.04973	1.7
71.29861	0.6
73.06533	0.8
77.03930	1.0
79.05499	14.4
81.07061	14.3
83.04984	1.8
83.08626	4.2
85.06539	1.6
91.05485	36.2
93.07042	13.2
95.04968	1.5
95.08141	0.7
95.08617	8.7
97.06528	1.9
97.10161	1.7
99.08031	0.7
103.05489	1.0
105.07035	53.9
107.04961	1.8
107.08604	10.9
109.06501	1.4
109.10149	2.9
111.08101	0.8
111.99944	0.8
115.78378	0.7
116.56485	0.7
117.07019	6.8
118.07811	0.8
119.08588	29.6
121.00468	1.7
121.06508	1.6
121.10152	5.1
123.08037	1.6
123.11697	0.7
125.09602	1.1
129.07001	2.7
130.07759	0.8
131.08574	10.8
133.10133	37.2
135.08051	2.0
135.11679	2.4
137.09605	1.5
141.06992	1.1
143.08582	2.7
145.10127	14.3
146.10957	0.9
147.08015	0.9
147.11694	20.6
148.42926	0.9
149.09616	4.7
149.13312	1.0
155.08495	1.3
157.10156	3.3
159.11682	8.1
161.09613	0.8
161.13208	3.7
163.11162	1.5
169.10127	1.5
171.11685	2.8
173.13254	3.3
175.11217	0.8
175.14706	0.7
177.00227	0.8
177.12761	1.2
183.11678	2.3
185.13133	0.8
197.13301	2.3
202.54311	0.5
205.12263	0.8
208.02101	1.1
219.13762	1.0
229.19547	1.1
233.15347	0.8
239.17937	3.0
247.20723	0.8
252.04756	1.8
257.19012	8.8
261.05148	0.8
275.20071	100.0
275.27716	4.3
289.50507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03918	0.7
55.01868	2.1
55.05269	0.5
55.05515	8.1
57.03185	0.7
57.03438	8.5
57.07055	0.9
67.05506	13.0
69.03411	0.5
69.06724	0.5
69.07070	7.2
69.97932	2.1
71.04987	1.4
72.24645	0.4
77.03915	0.5
79.05498	16.1
81.03407	0.5
81.07062	15.6
83.04969	2.1
83.08640	3.4
85.06535	1.6
86.67145	0.5
87.08084	0.6
91.05486	25.6
93.06477	0.9
93.07050	14.7
95.04990	2.5
95.08611	10.3
97.06526	3.6
97.10146	1.7
99.08089	1.9
103.05469	0.8
105.07034	33.8
107.04967	4.9
107.08597	9.6
109.06546	2.7
109.10158	3.4
111.08081	1.7
113.05991	0.6
115.05427	0.9
117.07024	9.5
119.08586	23.9
121.06512	3.4
121.10138	6.9
123.08070	2.1
123.11723	1.0
125.09599	0.6
129.07018	3.8
131.08571	12.1
133.06453	1.0
133.10141	21.0
133.45119	0.4
135.08063	3.9
135.11688	3.0
137.09593	1.1
143.08559	4.4
145.10127	9.9
147.08041	1.3
147.11688	16.7
149.09622	8.1
149.13266	0.7
151.11153	0.9
155.08537	1.3
157.10182	3.1
159.11700	10.3
161.09625	1.4
161.13284	4.1
163.11189	3.3
169.10139	1.8
171.11696	2.5
173.13249	4.8
175.11171	2.0
175.14827	2.0
177.12708	1.4
183.11694	2.6
185.13269	10.5
187.11168	1.1
187.14760	0.7
189.12746	0.7
191.14325	1.2
197.13272	1.9
201.12769	0.9
201.16403	1.9
203.14311	6.9
211.14682	0.6
213.16080	0.5
215.17851	0.7
219.13832	0.8
219.17470	4.5
229.19484	2.0
239.17929	4.8
245.12868	0.5
247.20570	1.5
256.72116	0.5
257.19025	13.4
266.06088	0.5
275.20071	100.0
276.20392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02387	0.5
53.03944	1.8
53.66821	0.5
55.01882	3.4
55.05513	16.7
57.03431	1.6
59.04982	0.5
61.34718	0.5
65.03934	1.2
67.05508	20.1
67.36243	0.4
69.03416	1.2
69.06718	0.8
69.07070	7.8
69.96036	2.2
71.04987	2.2
77.03937	0.6
79.05497	29.6
81.03426	1.0
81.07063	18.5
83.04974	2.1
83.08623	4.5
85.06532	0.9
91.05488	27.8
93.07048	19.5
95.04955	2.8
95.08605	9.1
97.06535	3.0
97.10174	3.8
103.05439	0.9
105.04511	0.7
105.07035	35.9
107.04965	15.4
107.08604	22.2
109.06493	2.1
109.10160	10.8
111.08099	1.5
111.61237	0.6
115.05441	1.3
117.07030	9.4
119.08587	22.1
121.06497	2.3
121.10144	9.8
123.08028	1.1
123.11699	2.4
125.09627	4.5
129.06993	2.1
131.08582	10.5
133.06462	0.5
133.10139	21.8
135.08078	4.8
135.11685	3.8
137.09621	1.7
141.06987	1.1
142.88330	0.5
143.08588	1.3
144.30437	0.5
145.10123	10.4
147.08072	1.0
147.11694	17.4
149.09630	31.7
149.13255	1.0
151.11221	1.0
153.09116	1.8
155.08554	0.9
155.10591	0.8
157.10135	1.8
159.11732	7.0
161.13263	5.3
163.11139	2.9
163.14920	0.6
165.09157	0.7
165.12759	0.7
167.10672	0.6
169.10126	1.4
169.12233	2.0
171.11681	1.9
173.11736	1.7
173.13277	4.5
175.11145	1.2
175.14824	1.2
177.12773	1.0
183.11691	1.7
185.13277	1.1
187.11177	1.9
187.13281	1.1
187.14825	1.3
191.14317	0.6
193.12076	0.7
197.13298	1.7
201.12714	0.7
211.14867	0.7
213.16528	1.3
215.14421	0.8
215.18037	1.7
219.13823	0.7
229.19597	5.7
233.15434	1.1
239.18008	3.2
247.20590	2.4
257.19046	12.1
275.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.76602	0.4
52.58346	0.4
52.84668	0.5
53.03947	1.0
55.01877	3.0
55.05264	0.7
55.05514	9.7
57.03434	1.4
64.60059	0.5
65.03932	1.2
67.05177	0.9
67.05511	14.8
69.03435	0.7
69.06725	0.7
69.07072	10.6
70.73344	1.1
70.73689	0.6
71.04981	1.6
73.06555	0.6
78.74352	0.4
79.05498	17.2
81.03428	0.8
81.07061	17.3
83.04974	1.9
83.08621	3.7
85.06536	1.2
91.05487	25.2
93.06470	1.0
93.07047	17.8
95.04963	3.1
95.08051	0.7
95.08615	9.9
97.06541	3.5
97.10161	2.0
103.05461	1.4
105.07038	39.4
107.04971	6.0
107.08602	16.3
109.06541	3.4
109.10166	5.5
110.96894	0.5
111.08099	1.6
111.11679	0.4
117.07024	7.4
119.08589	22.2
121.06533	3.3
121.10151	6.8
123.08055	1.7
123.11761	2.3
125.09632	1.4
129.06999	2.0
131.08585	10.3
133.10135	24.1
135.08060	3.0
135.11716	3.9
137.09607	1.2
141.06970	1.1
143.08569	1.8
145.06473	0.6
145.10139	12.9
147.08057	1.5
147.11691	16.2
149.09637	7.3
149.13254	1.4
151.11137	0.7
155.08577	1.2
157.10051	2.4
159.08134	0.5
159.11700	6.9
160.12469	0.7
161.09569	1.5
161.13258	5.2
163.11194	4.0
169.10136	1.4
171.11719	2.1
173.09665	0.7
173.11920	0.6
173.13281	2.6
175.11200	1.3
175.14803	1.4
177.12756	1.5
183.11668	2.1
185.13269	1.1
187.11183	0.9
187.14803	1.2
189.16267	0.6
191.14343	1.1
197.13232	1.5
199.14871	0.7
201.12801	0.8
203.14246	0.5
205.12085	0.4
205.19617	0.5
209.24295	0.5
215.17924	0.9
229.19557	3.0
233.15292	0.7
233.18845	0.6
239.17953	4.1
247.20555	2.9
257.19022	12.8
275.20078	100.0
275.27841	1.6
276.20413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.9
55.01859	2.4
55.05511	10.4
57.03431	3.8
59.07402	0.7
62.28968	0.7
65.03935	1.2
67.05178	1.0
67.05508	18.9
68.04169	0.8
69.03413	1.7
69.07072	8.5
70.84555	2.0
71.04970	2.4
78.91086	0.8
79.05499	17.4
81.03396	0.8
81.07061	25.3
83.04961	2.3
83.08640	3.6
85.06547	1.8
91.05482	34.2
92.33823	0.7
93.06469	1.4
93.07048	19.4
95.04955	2.7
95.08608	12.8
97.06511	2.3
97.10174	1.3
103.05489	1.3
105.07034	42.1
107.04951	6.0
107.08590	13.0
108.23682	1.0
109.06523	6.3
109.10158	5.5
111.08069	1.5
117.07016	7.8
119.08591	29.8
121.06482	3.6
121.10153	7.5
123.08081	5.8
123.11712	1.5
125.09615	1.1
128.33708	0.7
129.06985	2.4
131.08563	11.8
133.06496	1.1
133.10133	32.3
135.08067	4.8
135.11682	4.9
137.09599	3.4
139.11182	0.8
143.08575	3.0
145.10130	11.9
147.08005	1.2
147.11691	16.9
149.09644	6.3
149.13205	1.5
151.11159	1.9
155.08609	1.3
157.10141	3.7
159.11713	9.7
161.09599	1.6
161.13286	5.2
163.11215	4.6
169.10172	1.8
171.11662	1.7
173.09680	0.9
173.13229	4.9
175.11197	1.6
175.14787	1.6
177.12729	2.0
183.11714	3.9
185.13268	2.1
187.11215	1.4
191.14326	0.9
197.13284	3.4
199.14810	1.1
201.12750	1.4
201.16472	1.7
203.14359	2.3
211.14964	1.0
213.16373	0.8
215.18068	1.2
219.13933	1.1
219.17465	0.9
229.19563	2.5
229.27148	0.8
233.18890	0.7
239.17914	5.2
244.22737	0.9
247.20642	3.6
257.19012	10.1
273.41220	0.8
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	0.7
55.01865	1.2
55.05264	0.7
55.05513	8.9
57.03437	4.8
57.07066	1.7
58.07396	0.6
65.03938	0.6
67.05505	10.3
69.07069	6.6
70.06579	1.4
70.56531	1.4
71.04985	1.1
71.08634	0.6
79.05495	10.8
81.07058	10.9
83.04971	1.6
83.08614	4.0
85.06546	1.4
88.07624	1.6
89.07967	0.5
91.05484	23.8
93.07044	10.8
95.04969	1.2
95.08616	8.4
97.06528	1.5
97.10150	1.9
99.08106	0.5
102.09192	0.5
103.05469	0.9
105.07033	36.8
106.08668	1.0
107.04939	1.7
107.08577	7.1
109.06539	2.6
109.10167	2.6
111.08082	1.0
113.06022	0.5
115.05479	0.9
117.07018	8.0
118.07704	0.5
119.08581	27.9
121.06498	1.3
121.10149	3.5
123.08056	1.2
123.11694	0.5
125.09663	0.5
129.07010	2.5
130.07771	0.7
131.08560	9.4
133.10132	21.2
135.08081	2.1
135.11656	2.4
141.06982	1.2
143.08577	2.7
145.10115	10.3
146.10922	0.8
147.08202	0.4
147.11688	20.6
149.09648	2.8
155.08591	0.7
157.10092	3.5
159.11691	10.5
161.09604	1.2
161.13251	6.8
163.11186	1.5
169.10138	1.3
171.11667	2.1
173.13249	3.4
175.11166	0.7
175.14828	1.0
177.12758	0.7
181.12247	0.6
183.11713	2.7
185.13255	6.5
189.12923	0.5
191.14435	0.6
197.13248	1.7
201.12814	0.6
201.16374	1.4
203.14308	5.5
205.12213	0.5
211.14845	1.2
213.16397	0.6
215.14417	0.8
219.17416	1.8
229.15857	0.6
229.19510	1.5
239.17966	4.2
247.20541	0.7
257.19022	9.8
257.21579	0.8
257.26685	1.2
275.20059	100.0
275.27756	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.90133	0.5
53.03941	1.4
53.38484	0.6
55.01857	2.3
55.05273	0.6
55.05515	10.1
57.03428	1.3
60.45747	0.6
67.05177	0.7
67.05504	11.4
69.03417	0.9
69.07063	6.2
71.05002	1.0
71.30048	0.9
79.05492	16.5
80.10125	0.6
81.06577	1.1
81.07059	18.9
83.04975	1.5
83.08609	4.0
85.06505	0.6
91.05482	27.5
93.06470	1.2
93.07043	14.9
95.04961	2.8
95.08602	10.7
97.06529	3.1
97.10168	1.6
103.05453	1.1
105.07033	35.1
107.04984	2.9
107.08600	13.3
109.06522	3.5
109.10168	5.0
111.08086	1.5
117.07008	8.0
118.91870	0.6
119.08586	24.6
119.14566	0.5
121.06482	2.9
121.10148	6.3
123.08062	2.6
123.11705	1.4
129.07002	2.0
131.08568	9.9
133.06531	0.7
133.10132	30.2
135.08070	2.6
135.11687	2.4
137.09621	3.1
141.06967	0.9
143.08563	2.3
145.10141	9.1
147.08029	0.9
147.11699	15.5
149.09648	4.7
149.13268	2.0
151.11180	2.5
155.08549	0.8
157.10129	2.2
159.11665	6.2
161.09651	1.0
161.13248	4.1
163.11205	5.1
165.09021	0.8
165.12804	1.8
169.10165	1.8
171.11682	1.8
173.13263	4.0
175.11145	0.9
175.14818	0.7
177.12785	0.8
179.14354	1.0
183.11691	1.6
187.11249	0.7
189.12700	1.4
191.14330	1.0
197.13283	2.4
199.14742	0.7
211.14813	0.8
213.16266	0.8
215.14377	0.9
215.17966	0.9
229.19540	3.4
233.15324	1.1
233.18970	0.7
239.17976	5.0
247.20625	2.8
257.18994	10.6
275.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.1
55.01876	9.8
55.05511	15.6
57.03434	2.9
60.42807	0.5
65.03934	1.5
65.54325	0.6
66.29929	0.5
67.05505	20.4
69.03422	0.7
69.07071	10.5
69.46122	3.2
71.04971	1.9
77.03925	0.9
79.05496	24.5
81.03409	1.8
81.07058	27.3
83.04990	3.1
83.08614	5.5
85.06533	1.3
91.05482	38.2
93.07041	20.5
95.01314	1.6
95.04982	3.7
95.08611	12.1
95.72545	0.5
97.05920	0.8
97.06534	14.4
97.10160	2.5
103.05455	1.5
105.07032	62.1
107.04298	0.8
107.04963	11.6
107.08593	12.9
109.06512	2.4
109.10158	9.0
111.08047	1.2
115.05392	1.1
117.07021	8.3
118.07870	0.7
119.08583	32.3
121.06480	1.7
121.10137	7.2
123.08066	1.8
123.11699	1.8
125.09644	2.6
126.51601	0.5
129.06998	1.5
131.08565	14.6
133.06551	0.6
133.10133	37.2
135.08046	2.8
135.11717	2.9
137.09598	2.6
143.08569	2.2
145.10123	12.2
147.11693	16.8
149.09627	18.3
149.13173	0.8
151.11150	1.0
153.09096	0.8
155.08578	1.0
155.10606	0.7
157.10121	2.3
159.11684	7.9
161.09596	1.0
161.13237	3.5
163.11197	2.4
165.09113	2.1
168.80978	0.6
169.10158	1.0
169.12210	0.7
171.11714	1.6
173.13237	3.5
175.11186	0.9
175.14693	0.6
177.12843	1.2
179.14323	2.1
183.11662	1.6
185.13240	1.3
187.11235	1.5
187.13240	0.8
187.14873	1.0
189.12662	0.7
197.13278	1.8
201.16347	0.9
203.14330	0.9
215.17932	1.3
219.13820	1.1
219.17447	4.6
229.19499	3.5
233.15283	1.6
239.17996	2.7
240.25046	0.7
247.20567	2.1
257.18997	12.0
275.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03947	1.7
53.05948	0.5
55.01866	2.1
55.05263	0.8
55.05515	12.2
57.03448	1.0
57.07070	1.9
58.09834	0.6
65.03939	1.3
67.05508	20.0
69.03440	0.7
69.07076	8.8
70.75813	0.5
71.00691	1.1
71.04986	2.3
77.03941	0.5
79.05498	22.6
79.05964	1.2
81.03416	0.8
81.06584	0.8
81.07063	17.3
83.04975	1.4
83.08630	4.3
85.06533	1.3
91.05488	32.6
93.06474	1.0
93.07050	19.4
95.04948	2.6
95.08611	12.6
97.06544	2.2
97.10144	1.0
99.08134	0.7
103.05471	1.7
104.68163	0.5
105.07039	47.0
107.04986	3.8
107.08607	11.2
109.06522	2.7
109.10162	6.7
110.92589	0.5
111.08111	0.6
115.05441	1.3
117.07021	10.8
117.07841	0.6
119.08591	34.1
121.06531	3.0
121.10147	7.6
123.04449	0.5
123.08080	2.4
123.11727	1.5
124.84369	0.5
125.09583	1.2
128.06241	0.7
129.07018	2.6
130.07820	0.6
131.08568	14.0
132.09424	0.5
133.06526	0.6
133.10139	31.8
135.08067	3.6
135.11722	3.6
137.09648	3.0
139.11194	0.6
141.06993	1.0
143.08569	2.6
145.10139	9.2
147.08063	1.4
147.11699	19.9
149.09637	7.0
149.13260	1.5
151.11172	0.8
155.08485	1.2
157.10152	2.3
159.11711	7.2
161.09654	0.6
161.13239	6.7
163.11214	1.9
169.10193	1.8
171.11684	2.3
173.13300	7.8
175.11246	1.3
175.14842	1.1
177.12781	1.1
181.12219	0.8
183.11699	2.3
185.13327	1.0
187.11205	1.6
187.14841	1.6
189.12692	1.5
191.14326	0.9
197.13274	2.3
201.12830	0.9
215.14343	0.8
215.18028	1.1
222.39568	0.6
229.19440	3.1
229.32068	0.5
233.15376	1.3
239.17902	2.9
247.20569	3.9
257.19016	5.7
275.20084	100.0
276.20313	0.8
286.80933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.80198	0.4
53.03942	1.8
55.01880	3.0
55.05267	0.8
55.05513	11.3
57.03443	3.1
57.07071	0.8
65.03935	1.2
67.05507	16.2
68.47768	0.4
69.03419	1.2
69.07069	9.1
69.28583	4.1
71.04988	1.5
73.59686	0.5
79.05492	15.9
81.03407	1.2
81.07060	19.7
83.04972	2.8
83.08624	3.7
85.06535	1.6
88.01288	0.5
91.05482	27.2
93.07043	16.6
95.04993	2.4
95.08056	0.9
95.08610	13.5
97.06552	2.9
97.10148	1.4
100.58512	0.5
103.05460	1.1
105.04542	0.7
105.07034	34.1
107.04953	4.7
107.08597	12.2
107.67673	0.5
109.06524	4.8
109.10153	5.8
111.08094	1.3
112.33546	0.5
115.05476	0.6
117.07025	7.7
118.38802	0.5
119.08584	25.2
120.87704	0.5
121.06504	4.2
121.10147	7.5
123.08061	4.1
123.11699	1.5
125.09702	0.9
129.06992	2.3
130.07748	0.6
131.08575	11.8
132.09343	0.6
133.06526	1.0
133.10135	23.4
135.08060	5.9
135.11716	3.3
137.09615	3.3
141.07050	0.8
143.08542	1.6
145.10124	9.1
146.10902	0.6
147.08031	1.6
147.11694	13.3
149.09625	8.1
149.13287	1.3
151.11198	1.8
155.08543	0.9
157.10153	2.1
159.11696	7.8
161.09599	2.1
161.13245	5.1
161.88164	0.6
163.11186	4.9
169.10181	2.0
171.11688	1.7
173.09509	0.6
173.13266	4.8
175.11197	2.2
175.14792	1.3
177.12688	1.7
177.16428	0.8
183.11687	2.5
185.13257	1.6
186.20901	0.6
187.11147	1.1
187.14877	0.9
189.12781	1.0
191.14330	0.8
193.12238	0.7
197.13271	1.6
201.12869	0.8
201.16393	0.7
203.14339	1.7
211.14841	0.8
213.16409	1.1
215.14363	1.1
215.17902	0.8
219.13947	0.6
219.17303	0.6
229.15999	0.7
229.19524	2.3
231.17645	0.5
233.15466	0.8
239.17992	3.8
247.20587	4.6
256.34204	0.5
257.18997	8.8
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03937	2.8
55.01889	4.0
55.05272	0.8
55.05519	12.3
57.03446	3.7
57.07068	1.6
60.06221	0.7
65.03923	1.7
67.05508	26.4
69.03432	1.4
69.07071	9.7
69.57523	3.5
69.57941	1.5
71.04972	2.5
73.07225	0.7
77.03921	0.9
79.05495	30.0
81.03416	3.1
81.07060	69.8
83.05001	4.6
83.08631	6.0
85.06547	1.2
91.05487	31.1
93.07046	23.5
95.04984	7.2
95.08613	21.4
97.06563	3.8
97.10156	2.5
99.08083	1.2
103.05453	1.4
105.07036	39.2
107.04971	8.7
107.08594	17.2
109.05788	1.6
109.06525	29.3
109.10165	8.5
109.51516	0.9
111.08067	2.4
115.05473	1.3
117.07030	8.5
119.08586	25.7
121.06492	5.0
121.10158	11.4
123.08063	5.7
123.11707	3.2
125.09605	1.8
129.07008	2.6
131.08565	11.2
133.06490	0.9
133.10139	26.3
135.08076	7.3
135.11641	4.0
137.06017	0.8
137.09583	4.1
141.06961	1.2
143.08563	2.4
145.10126	13.2
147.08061	1.7
147.11694	15.9
149.09651	8.0
149.13263	5.9
151.11165	4.2
155.08565	1.0
157.10124	4.3
159.11690	8.4
161.09647	2.5
161.13309	4.1
163.11194	5.8
163.14880	2.0
165.09077	1.0
165.12794	2.1
169.10118	1.9
171.11710	2.6
173.13304	5.6
175.11217	3.0
175.14883	1.3
177.12752	0.8
179.14313	1.0
183.11710	1.8
185.13239	0.8
187.11197	1.7
187.14868	1.5
189.12831	0.9
191.14380	1.5
193.12251	3.9
194.46953	0.7
197.13300	1.2
201.12677	1.8
201.16374	1.0
206.77861	0.9
215.18060	1.6
219.13899	0.9
220.64694	0.8
229.19614	4.5
233.18941	1.8
239.18013	4.6
247.20575	7.3
257.19016	10.8
275.20071	100.0
275.27878	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03927	1.9
55.01862	2.2
55.05515	12.1
57.03440	4.1
57.03675	0.7
57.07056	1.0
65.03950	1.0
67.05502	19.9
69.07067	10.2
69.77176	4.0
71.04983	1.3
79.05495	20.1
81.07060	24.0
83.04981	2.3
83.08620	4.4
85.06564	1.8
89.21732	0.8
91.05485	34.9
93.07047	21.6
95.04967	2.5
95.08605	12.8
97.06512	2.5
97.10173	2.8
103.21175	0.8
105.07032	50.4
107.04962	4.3
107.08598	14.0
109.06509	6.7
109.10152	5.7
111.08083	1.7
115.05466	1.2
115.07507	1.1
115.29897	0.8
117.07010	9.5
119.08587	33.9
121.06498	3.1
121.10139	7.0
123.08057	6.1
123.11716	1.6
125.09615	1.0
129.07014	2.6
131.08585	13.1
133.10127	38.2
134.81966	0.7
135.08054	6.4
135.11679	5.9
137.09607	3.7
139.11174	0.9
141.06990	1.0
143.08562	1.8
145.10138	10.8
147.08070	1.3
147.11681	15.4
149.09648	5.7
151.11171	1.7
155.08595	1.7
157.10126	3.4
159.11688	7.8
161.09641	1.1
161.13205	4.6
163.11218	3.8
165.12729	0.9
169.10092	1.7
171.11697	2.6
173.13297	4.9
175.11192	1.2
175.14935	1.3
177.12807	1.3
183.11717	2.3
185.13254	3.1
187.14830	1.3
189.12895	1.0
197.13289	3.0
199.14716	0.8
201.16377	1.3
203.14259	2.1
215.17999	1.2
219.17438	1.2
229.19563	3.0
239.17958	4.2
247.20634	3.4
257.18997	10.7
275.20068	100.0
291.18826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	0.7
55.01862	1.7
55.05267	0.7
55.05511	10.4
56.96569	0.6
57.03421	2.0
57.07055	0.9
65.03922	0.9
67.05505	10.9
69.03411	0.5
69.07075	6.5
69.34766	3.4
71.04984	1.5
77.50941	0.5
79.05067	0.7
79.05499	10.8
81.07063	13.0
83.04959	1.7
83.08627	4.6
85.06525	1.0
91.05483	28.8
93.07054	10.4
95.04956	1.4
95.08614	8.4
96.72715	0.4
97.06525	1.4
97.10166	2.2
98.21546	0.9
98.97572	0.9
103.05446	1.1
105.07037	47.9
107.04927	1.0
107.08597	10.7
109.06521	1.4
109.10155	3.8
111.08066	0.9
117.07017	7.2
118.07761	0.5
119.08590	26.9
121.06485	1.1
121.10139	3.1
123.08068	1.0
123.11719	0.8
125.09621	0.7
129.07008	3.0
130.07802	0.4
131.07600	0.6
131.08575	9.6
132.09314	0.6
133.06505	0.5
133.10141	29.6
135.08031	1.4
135.11678	2.0
137.09593	1.0
141.06975	1.0
143.08585	2.4
145.10133	13.8
146.10878	0.6
147.08046	0.9
147.11694	25.7
149.09692	2.7
149.13272	1.0
151.11159	1.9
157.10124	2.5
159.11716	10.4
161.09583	1.3
161.13271	4.9
163.11172	1.9
169.10092	1.3
171.11668	2.1
173.13248	3.2
175.11208	0.9
175.14807	0.6
179.10687	0.7
183.11729	1.9
185.13301	3.5
191.14314	0.8
193.12248	1.0
197.13293	1.6
201.12799	0.8
203.14322	3.4
211.14941	0.7
215.12688	0.6
215.17947	0.6
219.17485	0.8
229.15932	0.8
229.19519	1.5
239.17917	3.8
257.19016	10.6
257.21567	0.8
275.20071	100.0
278.15140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03947	0.8
55.01861	1.8
55.05513	8.9
57.03432	2.5
57.07056	1.0
59.04983	0.6
64.13486	0.5
65.03926	1.0
67.05174	0.8
67.05509	11.1
69.07077	7.5
70.30301	1.1
70.30663	1.0
71.04990	0.9
77.03928	0.6
79.05494	10.0
81.07063	12.1
83.04986	1.3
83.08631	5.7
85.06535	1.1
88.07643	0.6
91.05484	27.7
93.07048	9.9
95.05025	1.1
95.08606	8.8
97.06516	1.5
97.10162	1.9
98.21418	0.6
98.97574	0.7
100.59064	0.5
103.05506	0.9
105.07037	41.8
107.04953	0.7
107.08602	6.9
109.06514	1.7
109.10168	4.0
110.97552	0.5
111.08078	0.9
115.05447	0.7
116.06245	0.5
117.07030	6.4
119.08585	26.7
121.06532	1.5
121.10151	4.4
123.08050	1.2
123.11651	0.8
125.09628	0.8
129.07011	2.7
131.08562	10.0
133.10141	25.0
135.08020	1.6
135.11690	1.6
137.09612	0.9
143.08571	2.8
145.09042	0.9
145.10126	13.6
146.10741	0.5
147.08018	0.7
147.11690	22.5
149.09607	2.2
149.13208	1.0
151.11200	0.9
155.08578	0.9
157.10121	2.2
159.11710	11.1
160.12329	0.6
161.09616	0.8
161.13274	6.1
163.11194	1.7
169.10110	1.7
171.11659	2.3
173.13287	3.7
175.11285	0.8
175.14861	0.9
181.12236	0.7
183.11691	2.2
185.13306	4.4
197.13287	1.7
201.12759	0.7
201.16365	0.7
203.14351	3.8
211.14830	0.8
219.13680	0.6
219.17549	1.1
229.19482	0.7
239.17964	4.2
257.19009	10.5
275.20078	100.0
276.20398	1.0
289.76471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75922	0.5
56.96553	1.0
60.76992	0.5
66.21868	0.6
69.47780	3.6
70.06571	0.5
70.32951	0.6
72.08127	0.7
76.02218	1.3
77.11526	0.5
84.08147	1.1
86.09701	2.4
87.10028	1.0
97.06527	2.4
105.06996	0.8
110.91592	0.5
113.00042	0.6
119.01904	0.6
136.04990	0.5
147.04393	0.8
158.13770	0.9
162.02155	1.0
179.04904	1.3
186.43370	0.5
203.66606	0.6
206.59608	0.5
257.02682	9.0
275.03821	8.6
275.11011	100.0
282.58710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	2.1
55.01883	4.0
55.05267	0.9
55.05513	14.2
57.03435	3.7
57.07067	2.3
57.88174	0.6
65.03923	1.9
67.05505	24.4
69.03438	1.6
69.07073	11.7
70.07341	1.4
70.07725	1.7
71.04979	3.0
79.05495	32.8
81.03422	2.6
81.07060	76.8
83.04987	4.5
83.06149	0.8
83.08620	6.9
85.06535	2.5
91.05485	30.7
93.06474	1.3
93.07047	23.6
95.04974	7.9
95.08607	16.8
96.53336	0.6
97.06522	4.3
97.10162	2.7
98.20724	0.7
99.08089	2.1
103.05431	0.9
105.07035	34.2
107.04952	8.4
107.08602	17.5
109.06522	33.8
109.10170	6.4
111.08065	2.3
117.07012	7.9
119.08587	27.0
121.06513	6.6
121.10154	11.2
123.08083	6.2
123.11691	2.8
125.09595	0.9
129.07005	3.7
131.08565	12.8
133.06488	1.6
133.10135	23.1
135.08063	7.7
135.11717	5.8
137.09601	2.6
137.13173	0.7
137.58366	0.8
141.06985	1.3
143.08543	2.5
145.10121	10.8
147.08055	2.3
147.11691	16.3
149.09619	6.3
149.13271	5.2
151.11197	3.7
155.08519	1.4
157.10127	2.7
158.97244	1.7
159.11682	7.4
161.09628	2.0
161.13226	4.6
163.11197	6.3
163.14862	2.4
165.12723	2.4
169.10121	1.5
171.11650	1.9
173.13281	4.5
175.11211	2.9
175.14842	1.9
177.12764	3.0
183.11681	2.4
185.13260	1.1
187.11272	1.1
187.14825	2.4
189.12753	1.0
191.14362	1.7
193.12251	2.8
197.13293	1.5
201.12766	1.7
204.66689	0.7
207.13779	0.8
213.00116	2.3
213.16438	0.9
214.00235	1.5
214.99905	3.8
215.17963	1.6
219.13948	1.0
219.17416	1.5
229.19502	3.3
233.15340	1.2
233.18858	1.1
239.17943	4.6
247.20563	6.0
257.19019	8.0
271.02539	1.3
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46847	0.7
55.01874	2.7
56.86431	0.6
56.96566	8.4
57.03434	3.3
58.99583	5.9
60.04522	0.9
67.05505	2.1
69.03429	2.4
69.07070	5.2
70.06587	2.1
70.98137	2.1
71.55987	1.1
72.08154	1.4
73.02920	1.0
74.00655	0.9
74.17393	0.8
76.02232	27.9
76.04002	0.8
79.05495	7.5
81.03413	1.2
81.07061	1.2
84.04549	1.2
84.08136	3.6
84.96027	1.1
85.02912	3.3
85.04047	0.8
86.09723	0.8
86.99066	1.3
88.02177	0.9
91.04486	0.8
91.05477	2.4
95.05003	1.2
96.08139	2.0
97.02917	1.6
97.06537	100.0
98.97590	15.7
101.00883	2.6
105.07037	1.1
107.04928	0.8
108.04469	0.9
109.02959	0.7
110.17526	0.7
110.97569	2.8
112.07599	1.1
113.07124	3.0
116.01675	7.8
116.98635	5.3
119.01875	3.5
119.04923	1.3
119.08574	1.0
124.99151	0.9
127.03871	1.0
128.05318	1.3
128.98636	2.7
129.03798	0.8
130.05022	0.8
130.08717	1.2
131.00200	1.4
132.53362	0.7
134.99667	2.7
138.05556	1.2
143.01817	0.8
144.01169	4.3
145.03532	1.8
146.99617	1.2
147.04408	4.0
148.04846	0.9
154.06882	3.6
155.01842	0.8
156.03546	0.9
158.99677	1.5
159.03091	1.0
159.05072	0.9
162.02208	18.5
169.03531	2.1
172.07901	1.8
172.97603	2.7
173.02972	0.9
177.05890	0.8
179.04858	27.8
185.02965	1.1
187.04562	3.3
190.98619	4.2
204.05400	1.0
210.58109	1.4
219.01743	1.0
220.99730	1.1
227.07613	0.8
229.05580	1.5
232.99707	3.2
236.99001	0.8
237.02820	1.0
247.06624	0.9
251.00787	2.8
251.04854	1.1
256.96356	1.3
257.02744	1.3
257.09531	6.1
274.97559	8.3
275.06134	3.3
275.11035	37.5
275.20117	2.2
292.98584	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	274.2741
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
51.22139	0.2
52.72161	0.3
57.07078	6.1
58.06597	0.4
69.38573	2.2
69.38902	0.4
70.06596	9.4
71.08633	2.4
85.10173	0.9
86.53092	0.2
88.07635	13.2
102.09177	3.7
106.08672	8.0
106.09410	0.3
137.84276	0.2
196.97240	0.3
212.23837	0.5
230.24806	0.9
256.26340	5.6
274.27408	100.0
275.27786	0.6
287.79321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	56.0
69.80495	27.6
70.98119	60.9
82.76169	5.9
85.02876	13.9
88.99141	13.5
92.12072	5.5
97.02882	9.5
98.97593	100.0
99.28751	5.7
101.00894	40.8
110.97641	7.5
111.87963	6.2
113.60818	5.0
114.32920	5.6
116.98628	20.6
119.01925	47.3
127.02439	15.1
128.98627	16.1
143.01947	10.7
145.03473	33.3
146.99657	19.6
154.96553	26.9
155.01897	14.8
158.99742	6.4
159.05058	14.3
163.04523	7.6
169.03473	33.4
171.05075	9.3
172.97615	68.1
174.99179	6.5
185.02933	18.4
187.04510	38.7
190.98648	44.8
197.02974	7.7
200.97015	9.7
203.03987	9.9
205.00183	10.7
214.98672	12.4
215.04001	11.6
218.98114	17.3
229.05571	18.3
232.99718	45.7
247.06578	6.6
251.00809	22.9
256.96445	13.8
274.97458	45.5
275.01688	21.6
275.06152	67.0
275.10971	63.0
292.98587	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.30068	1.1
53.03930	1.4
53.73368	1.2
55.05307	1.0
55.05512	12.6
57.07076	7.2
65.27177	1.0
67.05175	1.5
67.05510	21.9
69.06726	2.0
69.07072	32.8
71.08630	2.3
71.33234	1.1
71.57323	1.8
74.15812	1.0
76.83366	1.2
79.05499	9.6
81.07060	68.8
83.08621	13.1
85.10153	1.3
86.80593	1.2
91.05484	10.3
92.36430	1.2
93.06475	1.9
93.07048	32.2
95.08608	63.7
97.10188	9.0
105.07039	23.3
107.08599	49.0
109.10161	48.0
111.11736	3.5
117.07063	1.7
119.08595	21.9
121.10147	44.9
123.11716	39.4
131.08592	2.0
133.10133	13.5
135.11697	24.1
137.13261	11.2
143.55365	1.3
145.10120	1.9
146.72008	1.3
147.11697	15.8
149.13268	45.3
151.14816	4.7
153.59335	1.1
161.13272	26.6
163.14833	26.8
165.16414	1.9
175.14856	11.8
177.16391	14.8
189.16376	20.8
191.17958	11.7
203.17961	15.7
217.19543	31.1
223.98224	1.1
231.21130	3.9
273.18829	2.6
273.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05519	15.3
57.07078	5.2
63.30483	2.8
67.05506	22.9
69.07068	37.4
69.97974	11.5
72.42403	2.6
76.72140	2.9
79.05476	13.0
81.07059	92.2
83.08627	15.4
85.10159	2.9
91.05439	15.2
93.07046	37.7
95.08612	77.3
97.10159	8.7
105.07027	23.0
107.08606	57.7
109.10159	60.1
111.11705	5.1
116.21127	3.1
119.08573	23.8
121.10143	49.5
123.11708	47.3
133.10136	15.5
135.11684	29.9
137.13293	14.9
145.10133	3.4
147.11687	16.8
149.13266	47.8
151.14793	5.9
161.13272	26.5
163.14841	26.0
165.16353	6.2
175.14822	10.4
177.16397	13.9
189.16422	22.2
190.67581	2.6
191.17909	8.3
203.18004	17.3
207.21756	2.6
217.19545	29.8
222.21254	2.9
271.72531	3.6
273.16620	4.3
273.23111	4.6
273.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.82459	1.3
53.03942	1.4
55.01826	1.4
55.05499	4.5
55.68394	1.2
57.07062	2.7
59.05001	1.4
61.36045	1.4
65.03924	1.5
67.05511	6.6
69.03436	1.5
69.07078	10.4
69.36926	9.5
70.54993	1.2
71.04996	1.9
79.05494	8.8
81.07040	8.0
83.04956	2.1
83.08620	2.5
85.06531	2.7
91.05479	13.1
93.07047	13.4
95.04979	3.5
95.08623	8.1
97.06526	2.3
98.20810	3.2
98.97568	6.1
99.00812	1.6
105.07038	21.5
107.04967	2.5
107.08614	13.8
109.06525	17.8
109.10148	5.5
111.08081	1.8
115.05408	1.6
117.07020	5.7
119.04929	6.6
119.08585	18.5
121.10152	14.2
123.08057	3.5
128.06229	3.8
129.06993	6.0
130.07774	3.5
131.08572	13.1
133.06496	8.0
133.10129	11.0
135.08069	6.9
135.11694	2.0
141.06987	5.4
142.07762	5.9
143.08569	15.7
144.09352	2.7
145.10124	18.7
147.04430	18.1
147.08012	2.6
147.11697	7.9
149.09593	7.7
149.13159	1.4
153.01839	39.3
154.07706	1.4
155.08539	9.5
156.09335	12.5
157.10143	23.1
158.10837	2.7
159.08026	3.9
159.11700	8.8
161.09604	4.6
165.06992	3.0
167.08545	4.3
167.10646	3.2
168.09317	2.9
169.10101	14.7
170.10902	3.1
171.11682	21.6
172.12532	1.7
173.09636	14.2
173.13303	6.8
174.10378	1.9
175.11185	7.3
179.08604	2.9
181.10138	8.0
182.10860	8.0
182.26860	1.4
183.11682	8.8
184.12410	1.7
185.09622	2.5
185.13185	7.5
187.11194	3.2
187.14873	3.2
189.12775	12.3
193.10152	2.4
195.11659	7.8
196.12444	5.4
197.13274	30.1
198.14038	4.1
199.11209	12.5
207.11760	6.7
208.12381	1.5
209.13319	2.8
211.14836	15.1
212.11906	2.2
212.15569	10.0
213.12772	4.2
213.16400	23.5
214.13466	2.7
215.14363	8.0
222.14072	3.1
225.12772	2.9
227.14275	9.3
227.17836	1.5
229.15929	5.1
231.17474	3.0
231.31290	1.3
237.16319	7.7
240.15132	5.8
255.17448	50.4
273.07590	36.4
273.18497	100.0
273.25848	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.00721	0.6
51.02359	0.6
52.59654	0.5
53.03944	0.8
53.44619	0.5
55.01871	3.0
55.05513	7.7
56.96565	0.7
57.03434	1.4
57.07075	0.9
67.05173	0.8
67.05505	11.6
69.03424	1.3
69.06765	0.6
69.07069	6.0
71.04971	1.6
71.56909	0.5
71.57346	0.5
75.68560	0.7
79.05059	0.9
79.05489	11.2
81.03410	1.0
81.07050	10.0
83.04983	1.9
83.08592	2.9
91.05482	20.0
93.07046	8.4
95.04962	2.4
95.08598	6.3
97.06518	1.3
97.10175	1.7
99.08114	0.7
103.05446	0.8
105.07030	17.1
107.04939	2.6
107.08597	5.4
109.06525	2.5
109.10143	3.5
111.08120	0.8
115.05480	1.3
116.06231	1.3
117.07014	12.9
119.04948	1.3
119.08587	13.8
121.06521	3.2
121.10147	2.7
123.08077	1.7
123.11712	0.7
125.09641	1.4
128.06200	2.1
129.06998	8.4
130.07776	2.3
131.08572	28.5
133.06480	4.5
133.10121	6.0
135.08090	2.8
135.11671	1.0
137.09613	1.2
141.07028	1.2
142.07806	2.0
143.08566	9.5
144.09380	1.1
145.06473	1.7
145.10123	22.3
145.11301	1.1
147.08049	12.0
147.11658	2.7
149.09656	2.4
155.08551	1.5
157.06474	0.6
157.10112	8.0
159.08092	4.0
159.11678	5.8
161.09616	7.8
161.13266	1.2
163.11188	2.2
169.10139	1.8
171.11696	3.5
173.09650	2.8
173.13249	1.9
175.11183	5.4
177.09096	1.5
177.12778	1.2
181.10138	2.0
183.11679	0.8
185.09619	1.1
185.13281	1.6
187.11121	1.8
189.12743	2.0
195.11728	2.2
197.13345	0.9
199.11217	3.2
199.14740	1.0
203.10706	1.4
205.12343	0.8
209.13206	1.1
213.12730	0.7
213.16478	1.3
217.12335	1.3
217.15782	1.3
227.17955	3.7
229.07498	0.8
231.17461	1.4
237.16428	3.2
245.19000	3.2
255.17430	9.2
266.41223	0.7
273.18494	100.0
273.29785	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.02391	0.6
53.03944	1.8
55.01876	6.1
55.05513	12.9
56.96560	0.9
57.03436	7.1
57.07080	5.9
58.06594	1.3
59.04999	0.5
61.53674	0.5
65.03940	6.3
66.04166	0.5
67.05508	68.4
69.03431	1.6
69.07070	6.9
69.32379	0.5
69.32681	4.9
69.39703	0.5
70.06599	9.0
71.04980	1.5
71.08625	1.6
79.05495	22.0
81.03426	2.2
81.07059	19.2
83.04988	2.8
83.08622	4.0
85.06553	1.7
86.06075	2.1
87.86487	0.5
88.07635	11.0
91.04896	0.8
91.05484	28.6
93.07047	20.9
95.04973	100.0
95.08603	11.7
97.06541	6.1
97.10168	1.6
100.07613	2.7
101.07964	1.3
102.09171	2.7
103.05483	1.5
105.04539	0.5
105.07040	25.7
106.08659	5.2
107.04963	16.3
107.05698	0.8
107.07925	0.4
107.08604	10.7
109.02863	0.9
109.06520	14.0
109.10157	4.5
111.04427	0.6
111.08067	3.8
115.05461	2.7
116.06261	2.4
117.07018	15.5
119.04974	1.6
119.08575	14.0
121.06506	8.8
121.10146	5.5
123.04391	0.9
123.08093	4.0
128.06238	4.7
129.07013	8.9
130.07805	2.6
131.05017	0.6
131.08574	25.9
133.06485	6.8
133.10132	7.9
135.08066	5.8
135.11696	5.4
136.41541	0.6
137.06000	2.5
137.09593	2.0
141.06985	1.7
142.07779	2.2
143.08568	15.5
144.09309	1.0
145.06541	3.7
145.07477	0.5
145.10133	20.0
145.11295	1.1
147.04387	0.6
147.08043	12.5
147.11671	3.8
149.09608	5.6
149.13321	2.0
155.06110	0.6
155.08575	2.1
156.09348	0.7
157.10132	10.7
159.08072	3.8
159.11699	7.7
160.08846	0.8
161.09625	11.0
161.13252	1.3
163.07614	1.9
163.11188	4.9
169.10162	3.2
171.11661	5.7
173.09669	2.1
173.13274	1.4
175.11197	6.2
177.09187	0.6
177.12761	2.4
181.10178	1.9
183.11652	2.7
185.09631	2.0
185.13289	2.3
187.11179	2.8
187.14883	0.8
189.12790	1.1
191.10567	0.8
195.11732	2.4
199.11198	2.5
199.14816	2.1
201.12761	2.1
205.12228	1.4
209.81093	0.6
211.14766	1.4
213.12614	0.9
213.16338	0.7
217.15912	7.3
227.17998	2.3
229.15877	0.6
230.24896	0.8
231.17459	0.8
237.16385	3.4
245.19060	4.4
251.36664	0.6
255.17450	8.1
255.25121	13.5
256.26385	5.0
259.15463	0.7
273.18509	85.7
273.26163	7.5
274.27411	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03927	1.6
54.33380	0.4
54.48577	0.4
55.01873	3.7
55.05513	19.0
56.96548	1.2
57.03437	2.2
59.04649	0.4
59.04979	1.2
61.53379	0.5
67.05173	0.8
67.05508	12.4
69.03400	1.4
69.07066	8.7
69.75445	1.6
69.75854	1.2
71.04975	1.7
73.06555	0.5
79.05066	0.7
79.05492	12.5
80.62120	0.5
81.03410	0.8
81.07062	17.0
83.04960	2.0
83.08621	8.6
85.02867	0.6
85.06519	1.2
87.04473	0.5
90.04462	0.4
90.39873	0.5
91.05482	26.0
93.07050	11.8
95.04964	2.1
95.08606	8.5
97.06523	1.3
97.10181	5.2
103.05479	1.1
105.07034	27.3
107.04964	2.6
107.08595	7.5
109.06535	2.7
109.10179	2.9
111.08057	1.4
115.05463	3.7
116.06212	1.9
116.76205	0.5
117.07022	25.2
119.04926	1.1
119.08582	14.6
121.06516	2.6
121.10150	2.7
123.08068	2.8
125.09608	1.6
128.06219	6.5
129.07010	12.0
130.07782	6.3
131.08574	49.4
132.09344	0.6
133.06502	3.9
133.10130	7.4
135.08051	3.2
135.11659	1.6
137.09607	0.9
139.11156	0.5
141.06975	2.3
142.07788	1.8
143.08560	39.2
144.09337	1.5
145.10126	53.9
147.08051	7.8
147.11687	2.9
149.09581	1.8
151.11182	0.7
154.07860	0.6
155.08554	2.6
156.09293	0.7
157.10130	13.4
158.10925	1.4
159.08063	3.5
159.11685	13.0
161.09637	7.8
161.13283	0.9
163.11183	2.0
165.06984	0.8
166.07806	0.5
167.08595	1.7
168.09297	0.5
169.10109	5.0
171.08102	0.7
171.11682	8.5
173.09605	1.8
173.13304	2.3
175.11191	4.0
177.12782	0.6
180.09351	0.6
181.10127	3.3
183.11641	2.6
185.09659	1.1
185.13281	3.6
187.11174	1.0
189.12779	1.0
191.10564	0.6
194.10916	0.6
195.11684	5.4
197.13300	0.6
199.11157	1.6
199.14835	1.0
201.12827	0.9
209.13298	1.1
211.14824	1.7
213.12758	1.7
213.16304	1.6
227.17955	4.1
231.13786	0.9
231.17535	1.1
237.16362	10.4
245.19026	2.6
255.17438	14.7
273.18497	100.0
274.18719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.4
56.96575	4.0
57.03418	1.9
59.04997	1.8
61.02929	4.5
63.70384	0.7
69.03419	2.2
69.04536	0.7
69.84428	0.7
70.06577	3.3
71.05009	3.8
72.08147	2.4
73.02931	1.0
79.05497	2.1
81.04545	35.0
81.07063	11.3
83.06107	1.2
84.04509	1.4
84.08155	4.1
85.02894	2.1
86.09720	3.4
87.08082	0.9
95.06098	24.4
97.02890	1.5
97.06529	0.8
98.97596	5.6
99.08102	1.0
105.06982	1.0
107.06084	1.0
109.06554	1.2
110.97577	1.8
116.07134	0.8
116.98616	3.3
125.07124	35.0
126.03721	1.2
127.02163	1.3
127.03983	0.8
128.05280	0.9
128.98587	1.6
129.10229	1.7
143.00175	1.7
143.08171	34.4
147.04407	2.6
161.01375	0.8
163.12350	3.7
170.06332	1.8
177.00702	1.2
189.00780	1.1
193.13339	2.2
205.13379	1.2
219.30818	0.8
223.14441	5.9
237.02783	1.0
241.15495	28.0
245.08075	0.9
249.02933	0.9
250.03214	1.1
255.17223	1.7
273.09006	2.4
273.18112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.08768	1.3
52.18296	1.3
55.05516	6.7
59.32463	1.3
67.05495	5.4
69.07064	9.9
69.80203	5.4
69.80614	3.0
71.04985	5.8
72.91737	1.4
78.53902	1.4
79.05487	6.4
81.07053	7.7
83.04991	3.2
85.06546	3.6
91.05492	7.8
93.07051	10.6
95.04971	25.7
95.08606	7.7
97.06546	2.1
98.97589	3.3
105.07043	17.6
107.08607	14.4
109.06524	24.8
109.10160	6.0
111.08100	4.7
111.11752	3.1
117.07001	6.4
119.08575	21.3
121.10146	6.6
123.08092	14.5
123.11655	2.2
128.06232	2.4
129.07019	5.8
130.03287	1.4
130.07811	3.8
131.08566	19.2
133.06499	2.0
133.10138	11.2
135.08046	9.5
135.11722	4.1
137.09613	9.0
141.07065	2.1
142.07806	4.6
143.08595	10.0
144.09370	2.8
145.09050	2.6
145.10132	40.6
147.08075	5.6
147.11716	18.0
149.09624	4.7
151.11188	4.0
155.08583	5.0
155.50502	1.3
156.09360	9.9
157.10135	25.3
158.10921	4.7
159.08043	4.0
159.11713	12.7
161.09653	8.0
161.13232	4.6
163.11136	2.9
169.10179	4.5
170.10907	3.6
171.11707	23.0
172.12476	2.5
173.09660	10.4
173.13271	21.8
174.10431	2.4
175.11188	8.6
177.12801	1.9
181.10135	1.8
182.10942	6.2
183.11710	4.0
185.13237	9.4
186.10437	1.6
187.11186	18.5
187.14871	6.7
189.12747	17.6
189.16414	2.0
195.11646	5.1
196.12466	2.5
197.13277	15.7
198.14058	2.1
199.11169	9.3
200.11955	2.5
201.12776	2.8
203.14360	5.2
208.06827	2.9
211.14801	5.7
212.15649	3.2
213.12753	5.4
213.16382	13.6
214.13586	2.5
215.14326	41.3
215.16341	2.9
217.07489	1.9
217.12308	7.6
222.14038	2.4
225.12892	2.2
226.13670	1.4
227.17978	1.8
229.16039	2.4
231.13876	2.3
231.17444	17.1
237.16350	5.6
240.15117	2.1
244.99686	1.6
245.18857	2.0
255.17479	30.0
273.18509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.0
56.96579	45.6
57.03432	10.7
61.02907	6.0
67.05502	15.8
67.16992	5.8
69.03418	12.4
69.07069	34.0
70.07397	10.1
71.04994	12.4
71.08640	13.7
71.42307	14.9
79.05481	10.7
79.83353	6.2
81.03426	8.4
81.07059	46.4
82.07385	7.3
83.08608	21.4
84.96045	7.5
85.02930	15.7
86.58557	6.6
91.05469	12.4
93.07034	21.3
95.08608	22.8
96.08964	6.4
97.02916	15.9
97.06524	12.1
98.97585	100.0
99.08067	9.6
105.07073	15.3
107.08590	18.2
108.08932	14.1
109.10142	16.0
110.10509	12.1
112.79383	6.1
116.98609	32.3
119.08575	14.0
121.10152	12.3
122.10475	10.7
123.11724	7.5
124.99126	12.4
132.08209	7.1
134.10440	10.7
134.38748	6.0
135.11693	14.5
136.12062	6.8
143.00175	27.3
145.10103	9.4
147.04495	9.1
148.12033	8.4
158.99664	32.7
161.01221	11.4
161.13266	8.5
170.99698	7.8
173.01274	11.8
177.00732	17.3
196.58688	15.4
203.09694	7.2
217.59315	11.1
219.01628	7.2
227.12758	8.5
230.07877	8.9
230.58240	71.0
231.08331	14.6
239.58690	35.4
240.08847	14.4
244.99702	9.3
249.02766	12.5
250.59486	9.0
251.09685	14.3
267.03885	21.5
272.06467	87.9
272.24576	18.9
285.05081	11.7
285.10330	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	272.1132
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
50.04116	0.4
55.01881	0.4
55.05527	0.3
56.31649	0.3
56.42846	0.3
56.96570	8.5
57.03436	2.6
61.02930	2.5
65.03945	5.0
67.05508	0.5
69.03435	5.1
70.03180	1.7
70.06596	3.4
70.98119	0.5
71.01369	0.8
71.95281	0.5
72.08150	0.6
73.02919	2.6
79.38072	0.3
80.05004	0.8
81.03411	1.1
81.04573	0.4
81.07061	0.9
83.06110	1.2
84.08147	0.8
84.96024	1.2
85.02908	12.2
86.09705	1.1
87.04484	0.8
91.03938	0.7
92.05009	56.9
93.05799	4.3
94.06573	8.4
95.06094	1.4
97.02898	4.2
98.21394	0.5
98.97584	14.3
99.04463	1.3
99.97919	1.1
101.00864	1.2
103.00658	1.1
103.03950	0.7
109.02911	1.2
110.01329	0.6
110.06049	100.0
110.07137	7.3
110.97574	1.7
112.08714	0.4
112.99153	1.2
115.00714	0.5
115.02410	0.6
116.13044	0.4
116.98630	4.0
117.02180	0.5
117.99010	0.5
119.01871	1.6
121.01665	1.2
124.99120	1.9
125.54333	0.4
127.03960	2.7
128.98602	1.0
131.00183	0.7
133.01741	0.5
134.99655	0.9
135.03264	0.6
140.02303	0.9
140.98605	1.7
143.00195	2.7
143.01910	1.0
144.98109	0.5
145.01668	0.6
145.04932	1.3
146.99664	0.5
147.04396	0.9
152.07053	3.1
153.05797	1.7
155.02948	0.5
156.07736	1.3
158.99677	4.2
161.01224	1.8
161.02904	1.5
161.06651	0.9
163.04492	0.7
163.12320	0.6
168.05331	0.4
168.98152	0.4
169.04359	0.8
170.03340	0.5
170.99664	1.2
173.02847	0.6
176.04091	0.4
177.00720	2.2
178.04887	1.9
182.03333	2.7
184.02942	0.5
185.01231	0.5
189.00716	1.4
189.02380	0.5
191.03918	3.9
200.04431	2.0
201.00723	0.9
203.02254	0.4
205.00146	0.9
208.14526	1.1
212.09262	0.8
217.00197	0.6
219.01781	1.4
226.15530	1.3
230.07045	0.9
231.01733	0.5
231.07361	2.6
248.08115	1.1
248.99178	2.1
249.02658	1.8
249.08482	3.1
254.10435	2.8
254.15149	0.7
261.02747	0.5
263.06177	1.3
267.00394	0.5
267.03912	1.0
272.06589	1.3
272.11316	36.2
272.15799	7.2
285.05035	1.0
290.05649	0.5
290.08972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11665	0.6
55.05513	0.9
56.96569	55.4
57.03446	1.1
60.04528	0.8
62.06084	0.7
67.05524	0.6
69.03429	1.1
69.07098	0.9
69.78751	3.5
70.06598	4.2
71.95280	1.2
72.08156	1.9
73.02944	0.8
74.97607	1.5
76.81384	0.5
79.05520	1.0
84.04507	1.1
84.08139	1.5
84.96034	5.3
85.02892	1.2
86.09706	1.4
87.52448	0.6
91.05486	1.2
93.05524	0.5
93.07061	1.0
97.02892	0.9
98.97584	6.5
105.00217	0.7
106.98066	0.8
109.10204	0.6
110.06035	0.7
110.30141	0.5
110.97620	1.2
111.80407	0.6
116.07133	0.6
116.98638	1.9
119.04931	2.0
124.99126	49.3
126.97070	0.9
127.00693	4.1
128.98669	0.9
129.10223	1.4
139.00645	2.8
139.01625	0.6
141.02234	3.8
143.00175	100.0
144.98097	1.4
145.01730	1.3
147.04417	4.7
148.04738	0.9
151.00705	0.9
152.04300	0.7
152.98611	4.2
156.10190	0.7
157.01768	2.3
157.07521	1.1
158.99690	0.8
159.03319	2.8
161.01233	58.9
162.99126	1.1
166.01767	2.2
167.00151	3.5
168.06540	0.6
169.01756	2.3
170.99657	13.7
175.02803	1.1
175.11989	0.7
179.02327	2.9
184.02832	1.2
185.01234	26.6
187.02777	1.4
189.00714	18.2
189.02364	1.2
194.01221	0.6
203.02286	10.8
207.01804	2.1
213.00699	3.9
221.03329	1.5
226.03917	1.0
229.11794	1.1
231.01776	9.9
236.16570	1.0
249.02829	74.6
254.03255	1.3
254.17529	3.6
267.03897	97.2
271.26395	0.9
272.04291	9.9
272.15533	1.5
272.18576	20.0
272.26151	0.6
281.05569	0.7
285.04950	36.2
285.47290	0.6
285.94025	0.6
290.05557	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05521	6.9
57.07066	2.7
57.73668	0.7
59.59227	1.0
67.05502	12.3
69.06724	1.3
69.07072	18.6
69.40869	2.7
69.41285	3.4
71.04993	1.4
71.08624	0.9
75.70237	0.8
79.05504	5.7
81.07063	27.4
83.08631	6.5
91.05486	3.9
91.21004	0.8
93.07046	13.2
95.08617	24.5
97.10157	3.9
105.07040	17.1
107.08603	20.5
109.09460	1.6
109.10162	22.7
117.07008	1.9
119.07796	1.4
119.08600	21.8
121.10152	14.5
123.11716	13.6
129.06984	0.9
130.21910	0.8
131.08589	7.0
133.10150	14.7
135.11700	11.8
137.13278	1.8
143.08600	1.7
145.10143	11.5
147.11694	25.8
149.13269	11.6
157.10083	1.3
159.11702	15.0
159.12880	1.4
161.13255	16.7
163.14851	9.5
173.13292	8.4
175.14839	12.1
177.16374	2.9
187.14824	8.7
189.16389	11.6
191.17926	0.9
191.64958	1.0
201.16414	15.1
202.17113	0.8
203.17949	2.1
213.16360	1.3
215.17967	17.4
227.17894	0.8
229.19547	4.9
239.94920	0.9
271.06030	7.7
271.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.31223	0.9
55.05514	8.7
56.96553	2.7
57.07069	3.4
67.05507	15.6
69.06718	1.5
69.07067	19.9
69.90588	1.6
69.90994	3.7
71.08607	1.0
79.05495	6.8
81.07059	36.2
83.08624	7.3
91.05481	7.3
93.07052	15.9
95.08604	27.9
97.10151	4.0
98.21434	1.3
105.07034	19.2
107.08601	25.5
109.10156	25.7
111.11729	1.6
111.73444	0.8
117.07008	5.3
117.07754	1.2
119.08589	24.5
121.10150	18.1
123.11719	13.9
129.07007	1.7
130.07652	1.0
131.08569	9.5
133.10120	18.8
135.08089	1.1
135.11708	10.4
137.13235	2.5
140.76825	1.0
143.08575	1.8
144.09329	1.8
145.09048	1.3
145.10130	15.9
147.11690	25.1
149.13269	13.8
157.10117	2.2
159.08072	13.2
159.11679	19.6
161.13266	15.9
163.14828	9.8
171.11653	1.5
172.95308	0.9
173.13287	9.1
175.14830	12.8
177.16414	2.1
185.13252	1.1
187.14832	9.2
189.16371	12.7
191.18053	0.9
201.16393	16.1
203.17957	2.8
203.34645	0.8
206.03931	1.0
213.16307	1.3
215.17947	18.4
221.10046	1.3
229.19621	5.0
230.10571	1.2
239.11218	2.1
253.16078	1.2
271.06064	12.2
271.08905	1.6
271.17081	9.1
271.24210	100.0
289.11270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05512	12.9
56.96567	2.2
57.03413	1.3
57.07062	4.6
59.53765	1.3
59.63342	1.2
63.18330	1.1
65.03953	1.2
65.96172	1.0
67.05188	1.3
67.05508	19.1
69.07072	25.9
71.08627	1.3
76.39041	1.1
76.60043	1.1
79.05497	8.3
81.06575	2.1
81.07057	37.7
83.08621	12.1
91.05481	10.2
93.06475	1.7
93.07043	19.7
95.04939	1.3
95.07993	1.6
95.08607	32.3
97.10165	8.0
98.97623	2.0
102.49461	1.2
105.07034	22.5
106.95685	1.2
107.08593	22.8
109.10157	29.2
111.11717	3.0
117.07021	3.6
119.04967	1.5
119.08585	27.0
121.10143	19.4
121.62781	1.1
122.13604	1.1
123.11702	15.0
126.43141	1.0
131.00186	1.2
131.08565	10.4
133.10147	17.5
135.11707	14.1
137.13264	2.6
145.10129	15.9
147.10524	1.4
147.11691	28.1
149.13269	13.7
153.01851	1.9
158.10963	1.2
159.08040	4.2
159.11691	22.5
161.13263	19.1
163.14824	9.4
173.13239	9.3
175.14827	14.7
177.16420	2.6
185.13252	1.2
187.14825	10.6
189.16368	9.7
201.16376	17.8
203.17955	1.8
207.81453	1.2
213.16321	1.1
215.17937	17.8
217.19481	3.1
229.19513	4.6
235.20587	1.9
243.21027	1.3
253.21660	1.7
271.06009	26.4
271.08762	1.6
271.24207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.9
56.96567	2.2
57.03413	1.3
57.07062	4.6
59.53765	1.3
59.63342	1.2
63.18330	1.1
65.03953	1.2
65.96172	1.0
67.05188	1.3
67.05508	19.1
69.07072	25.9
71.08627	1.3
76.39041	1.1
76.60043	1.1
79.05497	8.3
81.06575	2.1
81.07057	37.7
83.08621	12.1
91.05481	10.2
93.06475	1.7
93.07043	19.7
95.04939	1.3
95.07993	1.6
95.08607	32.3
97.10165	8.0
98.97623	2.0
102.49461	1.2
105.07034	22.5
106.95685	1.2
107.08593	22.8
109.10157	29.2
111.11717	3.0
117.07021	3.6
119.04967	1.5
119.08585	27.0
121.10143	19.4
121.62781	1.1
122.13604	1.1
123.11702	15.0
126.43141	1.0
131.00186	1.2
131.08565	10.4
133.10147	17.5
135.11707	14.1
137.13264	2.6
145.10129	15.9
147.10524	1.4
147.11691	28.1
149.13269	13.7
153.01851	1.9
158.10963	1.2
159.08040	4.2
159.11691	22.5
161.13263	19.1
163.14824	9.4
173.13239	9.3
175.14827	14.7
177.16420	2.6
185.13252	1.2
187.14825	10.6
189.16368	9.7
201.16376	17.8
203.17955	1.8
207.81453	1.2
213.16321	1.1
215.17937	17.8
217.19481	3.1
229.19513	4.6
235.20587	1.9
243.21027	1.3
253.21660	1.7
271.06009	26.4
271.08762	1.6
271.24207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05516	6.2
56.92279	1.0
56.96555	3.8
57.07073	2.7
67.05169	1.3
67.05507	14.9
68.99778	1.2
69.07072	17.3
71.04990	3.3
71.08605	1.6
71.56506	1.2
79.05495	7.9
81.03438	1.1
81.07063	34.9
83.08640	8.1
91.05486	7.5
93.07056	17.5
95.04973	1.1
95.08613	28.4
97.10177	2.5
98.97569	5.4
105.07035	16.9
107.08609	24.8
109.09463	1.6
109.10167	26.8
111.11767	1.2
116.98545	1.6
117.07050	2.5
119.04934	2.1
119.08594	27.8
121.10149	18.4
123.11729	14.8
128.98390	1.2
129.07021	1.2
131.00011	4.8
131.08580	8.3
133.10138	15.6
135.04436	15.1
135.11703	12.2
137.13251	3.4
140.98460	1.3
143.00052	2.1
143.08583	1.2
144.09262	1.1
145.10138	16.3
147.11700	34.5
149.13290	13.4
153.01865	2.6
157.10175	1.3
158.99602	2.1
159.08078	3.7
159.11710	21.1
161.13275	18.9
163.14819	10.8
165.89696	1.0
171.11674	1.6
173.13275	11.6
174.99045	3.6
175.14816	13.3
177.00826	1.6
177.16422	2.5
185.01048	2.1
187.14828	10.4
189.00607	4.1
189.16396	9.5
194.59581	1.0
197.32625	1.0
201.16414	15.8
203.17947	2.7
215.17976	17.8
227.11174	3.4
229.19563	4.1
241.07423	1.3
241.11250	1.7
253.11125	3.5
259.12155	1.4
271.05991	36.9
271.08554	5.1
271.12363	3.0
271.16989	3.3
271.24231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
55.05512	66.3
56.96561	4.6
57.03437	3.4
57.07081	13.5
57.70468	2.4
65.03934	2.1
67.05506	57.4
69.03447	2.3
69.07070	100.0
69.74660	12.1
71.04982	4.9
71.08627	6.3
74.60324	2.1
79.05495	25.9
81.06586	4.8
81.07058	94.1
83.04971	5.8
83.08148	3.6
83.08619	59.7
85.06535	5.7
85.10127	2.3
91.05472	24.3
93.07043	39.1
95.04980	4.6
95.08606	80.3
97.06532	12.0
97.10170	54.8
99.08086	6.8
105.07030	36.7
107.08589	30.7
109.10162	49.0
111.08059	6.3
111.11729	24.0
111.42268	2.1
112.07593	4.5
113.09631	2.8
117.06998	5.1
119.04935	4.5
119.08587	30.1
121.10155	44.4
123.08046	4.3
123.11717	21.6
125.09622	8.6
125.13262	8.1
129.06998	2.3
131.08548	7.7
133.10136	36.1
135.08057	2.8
135.11685	37.8
137.09604	7.1
137.13278	13.2
139.11154	8.8
143.08549	3.1
145.10138	13.3
147.11693	36.5
149.13239	14.2
149.89096	2.1
151.11163	10.1
151.14806	7.8
153.01776	5.2
153.12733	7.7
159.08043	18.7
159.11644	14.0
161.13292	25.6
163.14821	8.4
165.12718	8.5
173.09616	2.6
173.13269	8.2
175.14841	17.1
177.16344	5.3
179.14296	6.8
187.14839	5.3
189.16405	7.6
193.12158	2.5
193.19603	2.8
201.16434	11.2
215.17947	13.0
217.19489	41.3
229.19243	2.3
235.20560	36.4
253.15994	2.5
253.21683	19.0
271.06000	72.6
271.17255	9.9
271.24280	63.7
285.10107	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	271.2058
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05519	5.5
57.03419	1.3
57.07080	10.4
58.02962	4.6
58.07414	1.8
65.03938	0.9
66.56956	0.9
67.05509	15.8
69.03415	3.1
69.07073	12.6
71.04991	4.3
71.08624	4.1
71.21671	1.4
71.21996	1.0
72.08965	1.9
79.05497	10.2
81.07066	20.8
83.08601	3.8
88.07629	1.7
89.07941	1.3
91.05482	17.5
93.06478	1.3
93.07050	22.7
95.04972	3.4
95.08611	45.5
97.06524	3.6
102.09191	4.9
103.05463	1.0
103.09513	2.0
105.07034	29.0
107.08601	28.7
109.06511	4.0
109.10166	15.7
111.08096	3.7
112.43121	0.9
115.05467	2.0
116.06246	3.2
116.10730	2.0
117.06994	3.4
117.11058	1.5
119.08584	34.7
120.09417	1.4
121.06521	1.6
121.10149	43.8
123.08082	5.0
123.10815	1.7
123.11715	24.1
129.07004	4.5
130.07806	1.0
131.08577	43.0
133.06615	1.0
133.07582	2.1
133.10146	22.4
133.25156	0.9
135.08058	5.8
135.11708	5.6
137.13324	1.2
141.07030	1.1
142.07793	3.3
143.08545	4.3
144.09341	1.8
145.10124	16.5
146.33749	1.1
147.08109	1.6
147.10643	1.6
147.11700	16.3
149.09634	29.3
149.13249	2.2
155.08517	2.7
156.09357	2.6
157.10143	12.9
158.10876	1.4
159.11720	15.0
161.09642	2.2
161.13252	5.7
163.11150	2.0
165.12686	1.6
167.08606	1.5
169.10121	3.7
171.11703	6.0
173.09610	2.3
173.13258	6.5
174.14059	1.3
175.11227	4.6
175.14821	11.5
182.10899	2.7
183.11717	3.2
185.13277	2.9
187.11211	2.2
187.14835	8.7
189.12781	1.8
189.16360	2.3
197.13277	10.5
201.12756	3.0
201.16431	2.3
211.14873	2.9
213.16420	2.1
213.89145	0.9
215.14302	6.9
215.17981	1.3
225.16455	1.6
238.04857	1.0
243.21124	2.6
253.19510	7.0
271.06064	9.8
271.20776	20.3
271.24353	3.1
271.28265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1695
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
53.03937	0.5
55.01868	0.9
55.05513	3.7
57.03430	0.6
59.04984	0.3
65.03940	0.4
67.05509	3.6
69.07063	0.8
70.03290	0.2
71.04983	1.1
71.57070	0.3
79.05498	4.8
80.15225	0.2
81.07059	4.7
83.04981	0.6
83.08620	2.6
85.06538	0.4
91.05485	5.7
93.07051	3.6
95.04951	0.4
95.08623	2.2
97.06535	0.5
97.10172	1.4
103.05438	0.3
103.16872	0.3
105.07030	1.5
107.04938	0.3
107.08594	3.4
109.06509	0.4
109.10160	1.1
111.08083	2.4
115.05466	0.9
116.06238	0.8
117.07021	10.2
117.07854	0.5
119.04944	1.0
119.08587	17.2
121.10150	2.9
123.08068	0.6
125.09657	0.7
128.06226	0.9
129.06998	2.9
131.04933	0.6
131.08586	3.0
133.06512	2.0
133.10103	0.5
135.08058	9.9
137.09612	1.0
141.06981	0.9
142.07834	0.4
143.08601	1.3
144.05713	7.3
145.06448	1.8
145.10130	5.1
147.08040	2.8
149.05980	0.9
149.09657	1.3
151.07571	0.5
154.07809	0.3
155.01048	0.3
155.08540	1.0
157.06491	1.5
157.10117	2.2
159.08055	100.0
161.09601	2.4
161.13252	0.4
163.07607	0.6
165.06886	0.3
169.10110	2.4
171.08044	0.5
171.11725	0.6
173.09631	8.2
175.07545	3.0
183.08083	0.9
183.11719	0.8
185.09616	3.5
187.11221	0.9
189.09125	0.6
197.09641	0.8
197.13319	0.4
199.11211	1.0
199.14798	0.3
201.12799	0.4
204.61624	0.3
205.10329	0.3
207.11641	0.3
209.13173	0.6
211.11221	1.2
211.14772	0.7
215.14375	0.4
224.12048	0.8
225.12915	2.0
225.16286	2.0
227.14273	0.9
235.14874	1.2
243.17447	0.9
253.13179	0.4
253.15886	8.5
271.06046	5.1
271.08810	0.4
271.16940	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	271.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01878	2.6
55.05509	4.2
56.21914	0.4
56.96571	2.0
57.03441	7.1
57.07074	0.8
65.03931	1.0
67.01852	1.4
67.05508	18.7
68.99790	1.0
69.03431	2.0
69.07073	6.7
69.42995	2.3
69.43424	0.6
70.06598	0.5
71.04984	2.4
73.02930	0.6
79.05497	6.4
81.03419	1.7
81.07063	20.6
83.04983	3.3
83.08620	2.1
83.45406	0.4
85.02906	1.1
85.06536	2.9
89.98797	0.3
91.05486	16.1
93.07050	8.6
95.04974	2.2
95.08615	5.2
97.02885	0.4
97.06544	2.3
97.10169	0.6
98.97586	3.4
99.04441	1.1
99.08076	0.6
105.07039	14.8
107.04966	0.7
107.07866	0.7
107.08594	13.8
109.06518	2.1
109.10163	25.4
110.97553	0.4
112.99092	0.5
113.06003	0.9
115.07570	0.7
116.98644	1.8
117.07038	0.9
119.01904	0.5
119.04955	5.2
119.08582	2.8
121.02864	1.2
121.06493	0.6
121.10147	2.1
123.08044	0.9
123.11720	5.0
125.09682	0.4
127.07561	1.6
128.06239	0.6
131.00171	0.7
131.08580	1.5
133.10138	33.2
135.08064	0.6
135.11697	1.8
137.05946	0.7
137.09633	0.8
141.07001	0.6
143.00172	0.6
143.01897	0.4
143.08548	0.7
145.02855	1.7
145.10150	1.2
147.04460	0.8
147.11713	1.5
149.01250	0.5
149.05971	0.4
149.09586	0.3
149.13272	0.6
151.02206	0.5
151.11195	23.2
153.01848	9.4
153.06963	0.6
155.08546	0.4
157.10175	0.6
158.99654	0.7
159.08080	0.7
159.11693	1.2
161.02884	0.5
161.09647	1.2
161.13287	1.0
163.03883	0.7
165.07043	0.9
169.12234	4.6
171.02925	1.2
173.13434	0.5
175.14886	0.6
177.00746	0.7
179.01656	0.8
179.10664	1.2
180.07773	0.4
183.08167	0.5
191.02232	0.6
197.11757	0.7
201.16466	0.5
211.07524	0.5
215.12799	3.2
215.17786	0.4
217.19551	0.6
225.05499	0.6
229.05054	0.5
243.06583	0.8
244.99741	0.8
253.05074	0.6
253.14316	4.3
253.21553	0.5
260.88947	0.3
271.06030	100.0
271.15421	25.9
271.24292	2.6
272.06360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.03933	0.9
55.05521	1.5
56.96550	1.5
57.07069	1.1
65.03941	0.6
67.05509	4.0
69.07054	2.2
70.16087	2.8
71.04987	1.0
79.05494	4.2
80.05025	0.8
81.07061	5.5
83.05025	0.7
83.08607	1.0
88.98264	0.7
91.05497	3.6
92.79617	0.7
93.05752	0.7
93.07072	3.4
94.06565	1.5
95.04998	1.1
95.08615	3.7
96.08125	3.2
105.07020	3.5
106.06569	2.5
107.04929	0.8
107.08568	3.1
108.08130	10.9
109.06535	0.7
109.10164	4.3
117.07024	1.1
119.04919	1.4
119.08602	3.7
120.08105	1.1
121.10136	1.6
122.09698	1.9
123.11729	1.6
129.06987	1.3
131.08533	1.9
133.10141	3.3
134.06007	1.6
135.11697	1.7
136.07596	1.2
143.08563	1.2
144.08060	1.0
145.06488	0.9
145.10092	1.6
147.08090	0.9
147.11673	3.3
148.07492	1.3
153.01825	2.6
153.07011	0.7
155.08583	1.4
156.08069	0.8
157.10153	2.2
159.08052	7.2
159.11719	1.3
161.09595	0.8
161.13295	1.0
163.14815	0.9
165.07005	1.0
166.07858	0.8
168.08081	2.9
169.08878	3.6
170.09689	1.3
171.09181	0.8
171.11671	1.5
172.07585	1.6
173.09596	1.5
173.13336	1.0
174.09154	2.0
181.10143	1.7
182.09659	1.1
183.10428	6.4
183.11606	0.7
184.07588	0.8
185.10802	1.2
186.09193	0.9
186.11595	1.8
187.14824	0.7
189.16360	1.0
196.07602	3.8
197.06715	1.2
197.08388	10.5
198.09142	1.6
198.12817	7.0
199.08644	8.8
199.12360	1.8
200.13019	1.0
201.16452	0.8
208.11240	1.5
210.09151	2.1
210.11453	1.3
211.09947	18.3
213.10246	14.2
214.10992	4.6
215.15454	3.8
215.17818	1.3
225.11093	1.1
225.13879	1.1
226.12294	32.4
227.02361	0.8
227.08321	1.3
227.11801	17.1
228.12579	24.5
239.11674	0.7
241.09804	1.5
242.10538	2.3
243.14961	24.4
243.17255	1.0
253.13499	4.6
253.15826	1.2
254.11795	3.0
255.11284	12.0
256.12091	15.9
271.06073	25.2
271.14420	100.0
271.16800	4.5
271.24149	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	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.64309	0.1
55.05504	0.2
55.46228	0.1
56.66960	0.1
56.96575	0.2
58.27165	0.1
61.02991	0.1
65.03930	0.1
65.33730	0.1
67.01868	1.2
67.05502	0.2
68.23106	0.1
68.99789	0.8
69.07068	0.2
70.61593	0.3
70.68984	0.1
71.04988	0.2
79.05492	0.1
79.90217	0.1
81.03445	0.1
81.07062	0.4
81.58524	0.1
91.05482	1.1
93.07044	0.2
95.04971	0.1
95.08604	0.2
98.97581	0.3
99.52306	0.1
105.07001	0.1
107.08566	0.2
109.10176	0.2
111.00784	0.1
116.22297	0.1
116.98596	0.1
119.04948	4.9
119.08598	0.1
121.02876	1.4
121.10094	0.1
125.02383	0.1
129.01837	0.3
131.00192	0.1
131.04916	0.1
135.11710	0.1
141.07014	0.2
145.02855	1.1
145.06485	0.1
149.13258	0.1
153.01840	10.1
154.02213	0.1
157.06552	0.1
158.99718	0.1
159.08044	0.5
159.11650	0.1
161.05902	0.1
163.03914	0.8
169.06477	0.2
171.02925	0.5
187.03922	0.4
197.05988	0.2
199.37178	0.1
201.05669	0.1
203.07098	0.2
215.07127	0.1
225.05486	0.5
229.04993	0.5
243.06490	0.7
247.06079	0.2
253.05003	0.1
271.06024	100.0
272.06421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37713	0.7
52.30124	0.7
55.01866	3.4
55.05505	1.4
56.96579	5.8
57.03444	4.6
57.07079	1.3
60.05617	0.8
65.03934	1.7
67.05514	1.8
69.03430	2.2
69.07056	1.2
70.06602	4.3
71.04985	1.0
71.56286	1.3
71.57000	0.9
72.08157	3.3
73.02924	31.8
75.04477	2.7
81.03403	1.2
81.07040	1.9
83.05000	1.3
84.04529	1.1
84.08132	2.2
84.96030	0.9
85.02913	1.5
85.06537	0.9
86.09698	3.8
91.03971	1.3
91.05482	4.9
93.03403	3.0
93.07033	1.2
95.04975	2.3
95.08624	1.4
95.54086	0.8
97.02884	1.2
97.06532	1.1
98.97574	4.7
103.05456	0.8
105.07029	1.1
107.04948	2.5
107.08665	0.8
108.02087	1.4
110.03688	5.6
110.07164	2.9
111.04435	4.4
116.07111	1.9
116.98640	1.7
119.04961	4.9
119.08553	0.8
123.04459	2.4
124.99143	2.9
125.06002	38.0
125.09584	1.1
129.10248	0.9
131.62856	1.0
132.27734	0.9
134.99628	1.0
135.08073	1.5
137.05966	2.6
141.05438	1.4
143.00169	7.2
147.04449	7.2
147.06520	5.0
147.11703	0.9
148.04808	2.2
149.06001	3.6
151.03922	100.0
151.05005	6.1
151.07481	5.5
153.01877	1.3
158.99727	1.2
159.03403	0.9
161.01164	3.9
163.07582	3.2
167.07069	2.9
179.07048	22.3
179.08551	1.5
181.08578	1.0
185.01198	1.3
187.02676	0.9
189.00803	1.2
197.08102	22.8
199.09607	1.6
209.37292	0.8
219.01799	1.1
225.07607	3.2
231.01750	1.1
249.02831	6.3
250.07979	0.8
253.10614	5.2
259.06702	1.0
267.03754	5.6
271.05875	11.7
271.08417	1.4
271.11789	29.9
271.16827	2.6
271.26309	1.3
272.04453	1.2
285.04980	2.3
289.09589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.059
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.38269	0.0
57.78432	0.1
58.96726	0.0
61.18174	0.0
65.03935	0.1
66.19038	0.0
67.01862	1.3
68.99784	0.9
69.62298	0.2
81.03429	0.1
83.01366	0.0
87.71581	0.0
91.05474	1.2
93.07072	0.1
97.02887	0.1
98.21465	0.1
109.02860	0.1
111.00799	0.2
119.04935	4.7
121.02866	1.3
125.02331	0.1
127.03848	0.1
129.01872	0.3
131.04849	0.1
141.06969	0.2
145.02837	1.3
145.06522	0.1
153.01820	9.7
157.06447	0.1
159.04474	0.1
163.03894	0.7
169.06467	0.2
171.02884	0.6
185.05975	0.1
187.03935	0.3
197.05936	0.2
201.05563	0.1
202.06380	0.1
203.07077	0.2
211.03885	0.1
215.07236	0.1
225.05444	0.5
229.04924	0.4
242.05913	0.1
243.06488	0.6
247.06065	0.2
253.04935	0.2
254.05849	0.1
271.05991	100.0
272.06332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26769	0.0
55.01862	0.1
55.05509	0.1
56.96558	0.1
57.03432	0.0
60.15836	0.0
65.03941	0.1
67.01864	1.3
67.05493	0.1
68.99436	0.1
68.99783	0.7
69.03416	0.1
69.07057	0.1
69.44350	0.3
79.05488	0.1
81.03416	0.1
81.07044	0.2
83.08647	0.0
85.02886	0.1
91.05478	1.3
93.07053	0.1
95.04955	0.1
95.08591	0.1
97.02862	0.1
98.20797	0.1
98.97578	0.2
105.06988	0.1
107.01281	0.0
107.08588	0.1
109.02902	0.1
109.10101	0.1
111.00805	0.2
116.98608	0.0
117.07002	0.0
118.06526	0.0
119.04939	4.7
119.08603	0.1
121.02861	1.4
121.10107	0.0
124.07550	0.1
125.02376	0.2
127.03917	0.1
129.01823	0.3
131.04900	0.1
133.10104	0.1
135.04410	0.0
141.06944	0.2
145.02835	1.3
145.06511	0.1
147.11617	0.0
148.07533	0.0
151.11188	0.0
153.01820	10.1
155.04886	0.1
157.06421	0.1
158.99539	0.1
159.08069	0.1
161.05974	0.1
163.03897	0.8
165.07011	0.1
168.05675	0.0
169.06357	0.2
171.02892	0.8
173.01367	0.0
173.05975	0.1
175.07695	0.0
177.00784	0.0
185.05876	0.1
187.03920	0.3
197.06023	0.3
201.05530	0.1
202.06241	0.1
203.07036	0.3
211.03926	0.1
215.07129	0.1
225.05415	0.5
227.43068	0.0
229.05017	0.5
243.06512	0.8
247.06020	0.2
253.04964	0.2
255.60419	0.2
256.10620	0.0
270.05289	0.1
270.60574	0.0
271.05991	100.0
272.06277	0.4
283.23938	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03951	2.8
55.01867	2.3
55.05512	19.4
56.96558	2.8
57.03441	23.4
57.07069	2.6
61.79158	1.0
63.67273	1.3
65.03946	1.9
67.05508	76.6
69.03415	3.2
69.07075	22.9
70.06586	1.3
71.04991	7.2
73.02907	1.2
77.03885	1.9
77.36237	1.2
79.05495	45.6
81.03403	3.3
81.07062	100.0
83.04982	7.5
83.08621	15.6
84.08176	1.3
85.06546	7.5
91.05488	31.1
91.54184	1.0
93.07051	75.7
95.04960	7.4
95.08047	2.0
95.08615	27.7
97.06542	16.0
97.10175	2.4
98.97562	3.1
99.08109	4.2
103.05527	1.2
104.86909	1.1
105.04478	1.3
105.07043	13.9
107.08600	31.5
109.06545	5.6
109.10153	4.8
110.07142	1.5
111.08083	9.2
113.05982	1.8
113.09614	1.6
117.03335	1.2
117.07019	15.4
119.08579	5.2
121.06488	2.2
121.10152	14.1
123.08099	1.6
123.11698	5.1
131.08571	15.5
133.10118	17.1
135.04523	1.1
135.08043	3.1
135.11707	15.0
137.09494	1.2
143.01927	1.3
143.04890	1.1
147.11691	3.3
149.09628	2.3
149.13264	40.1
151.11209	4.2
158.99707	1.4
159.11697	38.6
161.13335	3.2
163.07558	1.6
167.14278	1.3
177.05490	2.2
177.11218	1.6
177.12755	31.7
179.14359	5.2
180.44560	1.2
191.07005	4.6
195.13786	16.9
206.86133	1.0
213.14859	1.7
219.06490	2.8
224.08138	2.3
224.20215	1.5
228.51665	1.1
251.09177	7.9
251.16434	4.4
269.17502	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0587
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05504	0.4
56.96557	0.4
62.11249	0.2
67.01866	1.4
67.05509	0.6
68.75025	0.2
68.99793	1.1
69.07066	0.6
69.42883	1.6
79.05482	0.5
81.03449	0.3
81.07053	0.8
83.08617	0.3
85.02924	0.2
91.05478	1.6
93.07063	0.4
95.08591	0.5
97.02895	0.2
97.06462	0.2
97.10168	0.3
98.97569	1.1
103.35510	0.2
105.07030	0.6
107.08604	0.5
109.10132	0.3
111.00826	0.3
119.04943	4.5
119.08582	0.5
121.02859	1.6
121.10144	0.5
129.01834	0.2
133.10126	0.5
135.11716	0.2
136.05486	0.2
145.02840	1.6
147.11612	0.2
153.01826	10.8
158.99631	0.3
159.11713	0.2
163.03891	0.9
169.06532	0.3
171.02898	0.7
187.03966	0.2
200.98001	0.2
202.98466	0.3
203.06999	0.3
211.13084	0.2
225.05435	0.7
226.94177	0.2
229.04906	0.5
237.52995	0.2
243.06497	0.7
244.99605	0.3
253.14287	0.3
271.06009	100.0
272.06555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	3.4
55.01851	2.2
55.05272	1.7
55.05516	20.9
56.96557	3.5
57.03440	31.2
57.07071	4.9
57.69711	1.6
65.03938	2.0
67.05508	74.9
69.03416	1.7
69.07074	29.0
70.87322	3.2
70.87672	2.6
71.04997	6.9
71.08630	2.4
76.08468	1.5
79.05494	43.7
81.03403	3.2
81.07059	100.0
83.04989	10.8
83.08625	20.7
84.08121	2.7
85.06538	6.6
91.04974	2.1
91.05486	26.1
93.07048	72.9
95.04982	9.5
95.08047	2.6
95.08607	29.9
95.92272	1.5
97.06541	17.0
97.10183	2.5
98.97574	2.0
99.08090	5.2
104.99268	3.2
104.99950	1.4
105.07033	12.3
107.04892	1.7
107.08604	35.2
109.06484	4.0
109.10132	6.4
111.08089	10.8
117.07003	11.5
119.08584	4.8
121.06493	4.9
121.10156	22.5
123.11681	3.7
131.08580	13.7
133.10153	12.2
135.08025	3.6
135.11707	13.6
139.11169	1.5
143.08559	1.9
145.10121	2.0
149.09628	1.5
149.13264	51.5
151.11189	3.1
153.09064	1.9
157.09833	1.5
159.11697	25.8
161.13237	3.3
177.12755	15.7
179.14380	2.2
195.13812	20.6
213.14854	2.6
214.40601	1.5
238.03987	1.8
269.08118	2.2
269.17465	81.4
269.22076	3.0
279.56528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03940	3.3
55.05302	1.7
55.05516	17.5
57.03439	29.6
57.07072	3.0
57.34815	1.7
59.04994	1.7
65.03932	2.2
67.05509	84.9
69.06718	3.0
69.07071	34.5
71.04984	6.0
71.08642	2.0
73.02917	2.3
77.03948	1.8
79.05496	46.1
81.03377	2.1
81.07063	100.0
83.04555	1.7
83.04974	11.1
83.08614	19.0
85.06534	6.6
91.05482	30.0
93.07050	73.1
95.04971	6.5
95.08614	31.5
97.06548	18.3
97.10141	3.4
98.21523	3.2
99.08092	5.9
105.07031	13.3
107.08601	41.1
109.06505	3.9
109.10169	6.8
111.08073	8.2
113.09633	1.7
117.07015	12.0
119.08585	4.7
121.06599	1.8
121.10144	21.2
123.08067	2.4
123.11737	3.0
131.08566	13.4
133.10139	15.7
135.08049	1.9
135.11714	13.6
139.07524	1.6
143.08548	2.3
145.10124	3.1
147.11708	4.6
149.13261	50.8
151.11191	3.1
157.10138	3.5
159.11702	30.0
161.13220	4.5
167.14238	2.1
169.12088	1.8
171.11671	3.4
173.13260	2.1
177.12738	19.1
191.14337	4.6
195.13870	16.9
226.06308	13.1
254.05804	6.8
269.08102	71.1
269.17477	93.2
269.22131	13.8
270.51437	1.7
285.10101	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.35711	0.6
53.03948	2.5
53.32203	0.6
55.01873	3.6
55.05511	20.8
56.96570	0.8
57.03439	33.1
57.07077	4.0
58.54000	0.6
65.03947	2.2
67.05507	77.1
69.03414	1.2
69.07070	31.9
69.35433	1.6
69.35836	3.7
71.04993	6.2
71.08648	1.4
73.02934	1.1
75.72981	0.6
77.03910	0.9
79.05495	46.4
81.03423	1.7
81.07059	100.0
83.04984	8.7
83.08620	22.4
85.02896	0.8
85.06550	6.1
85.10162	0.6
89.97102	0.5
91.05484	27.6
93.07046	72.9
95.04968	7.7
95.08608	26.4
97.03814	0.6
97.06525	16.9
97.10188	2.9
98.97583	0.8
99.04452	0.7
99.08097	4.8
103.03999	0.8
104.59053	0.6
105.04495	1.4
105.07032	14.1
107.04958	0.9
107.08599	37.3
109.06528	4.2
109.10168	7.6
111.08078	10.3
111.11680	0.8
113.06014	1.2
113.09623	1.1
117.07022	15.1
119.08581	6.5
121.06518	2.2
121.10145	22.5
123.08065	1.3
123.11703	3.3
125.09641	1.1
127.07581	0.7
129.07007	1.5
131.08574	14.9
133.10141	16.6
135.08070	2.0
135.11694	13.9
139.11214	1.2
142.07741	1.0
143.08553	1.9
144.09367	1.0
145.10132	3.5
147.11671	4.4
149.09647	1.4
149.13263	47.9
151.11203	2.2
157.10175	3.7
159.11700	35.1
161.13307	4.0
167.14319	1.4
169.10243	1.2
171.11685	2.5
173.13226	2.2
175.14853	1.0
177.12749	18.3
179.14360	3.2
185.13243	1.6
187.14871	1.6
191.14113	0.7
195.13814	20.0
199.14871	2.4
213.14751	1.9
213.16432	3.5
227.17949	1.4
233.18591	0.6
234.67868	0.6
251.16446	1.6
269.17484	83.2
269.22427	20.8
293.55984	0.7
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	Unknow
Peak:m/z	Relative Intensity
52.91114	1.5
53.03932	3.6
53.47709	1.4
55.01883	3.3
55.05514	19.9
56.96557	4.2
57.03427	3.7
57.07066	3.5
62.23839	1.3
67.05506	36.4
69.03426	2.7
69.07064	21.2
71.04987	2.7
71.56840	1.9
71.61018	1.1
79.05489	23.0
80.34176	1.2
81.03405	3.0
81.07059	41.2
83.04979	4.9
83.08606	10.5
85.10175	1.4
91.05483	17.4
93.07043	37.7
95.04967	14.8
95.08609	34.7
97.02897	3.6
97.06506	7.7
97.10178	4.1
99.04451	2.2
104.99255	2.5
105.07028	20.2
107.04955	5.9
107.08594	32.4
109.06531	7.0
109.10128	12.1
111.04449	1.6
111.08082	4.7
116.63564	1.5
117.07001	8.1
119.08575	21.5
121.06507	6.3
121.10130	22.0
123.08073	4.9
123.11724	14.5
125.06005	3.0
125.09632	1.8
127.07507	1.7
128.06235	3.4
129.07027	5.4
130.07790	2.2
131.08575	23.0
133.06415	2.2
133.10115	15.6
135.08072	11.1
135.11688	8.0
137.09567	1.5
139.07547	4.1
142.07759	5.6
143.08556	10.6
144.09380	1.7
145.10141	14.6
147.08070	3.1
147.11665	8.9
149.09616	5.5
149.13292	10.9
155.08559	5.5
156.09258	7.4
157.10138	14.5
158.10919	2.2
159.11671	10.1
163.14824	21.1
165.07072	2.4
165.12680	1.8
169.10110	3.8
170.10912	4.0
171.11697	13.1
172.12479	1.8
173.13275	23.1
175.11227	2.8
177.12759	2.0
180.09235	1.4
181.10147	3.2
183.11719	4.1
185.09537	2.2
185.13260	13.6
187.14774	3.3
190.74036	1.6
191.14296	23.4
193.10138	1.8
195.11729	4.4
195.13690	3.8
197.13336	1.8
199.11249	2.2
199.14825	5.2
201.12685	2.2
209.13477	2.3
209.15358	6.3
211.14801	5.7
213.12686	5.0
214.12323	2.3
237.14900	3.8
241.19572	3.0
254.05734	2.7
255.15912	100.0
269.08035	5.3
269.12915	11.0
269.19315	28.9
269.22375	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	4.7
55.05519	19.4
57.01345	1.7
57.03439	29.6
57.07053	2.8
57.93093	1.7
65.03951	2.6
67.05513	79.4
69.07076	26.2
69.26288	16.8
71.04988	7.6
71.08639	2.1
72.93801	1.7
79.05499	46.8
81.07063	100.0
83.04983	11.3
83.08614	18.0
85.06548	4.6
91.05480	28.3
93.07050	79.3
95.04970	8.1
95.08614	28.3
97.06541	15.5
97.68401	1.7
99.08090	4.1
105.07037	12.5
107.08599	35.8
109.06516	4.0
109.10135	6.8
111.08122	10.2
117.07027	13.6
119.08588	6.8
121.10152	20.0
123.11673	5.1
131.08575	11.7
133.10143	14.9
135.08080	2.0
135.11688	12.5
139.11211	2.8
147.11729	2.5
149.09575	1.8
149.13272	50.8
151.11174	1.7
159.11703	31.5
167.14355	2.2
170.74832	1.6
177.12790	17.2
179.14265	2.9
192.82608	1.6
195.13800	19.9
269.17490	84.1
269.22592	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02381	1.0
53.03935	4.0
55.01867	2.2
55.05510	19.6
57.03437	29.7
57.07055	3.0
66.49613	1.2
67.05504	78.2
69.03415	1.8
69.06728	1.6
69.07071	26.7
70.30370	3.6
70.30701	1.1
71.05000	6.0
71.08620	1.0
73.02915	1.2
79.05492	43.2
80.23736	1.1
81.03397	1.6
81.07057	100.0
83.04974	7.5
83.08619	18.9
85.06538	6.4
91.05480	27.5
93.07043	70.1
95.04980	6.2
95.08606	28.8
97.06527	16.5
97.10154	3.5
98.00230	1.1
99.04428	1.3
99.08105	5.5
103.03970	1.2
105.04540	1.3
105.07025	12.3
107.08593	34.3
109.06492	3.4
109.10120	4.8
111.08070	9.3
111.11702	1.2
113.06008	1.1
113.09605	1.3
117.07021	12.4
118.87855	1.1
119.08600	4.9
121.06505	1.4
121.10146	18.6
123.11692	4.5
125.09583	1.7
129.06992	1.4
131.08569	15.3
133.10135	15.1
135.08057	1.6
135.11694	14.4
139.11102	1.7
145.10129	1.5
147.11682	2.2
149.09653	1.4
149.13260	43.1
149.84613	1.5
151.11169	2.0
157.10080	1.4
159.11696	32.3
161.13237	3.9
167.14423	1.3
177.12740	18.3
179.14316	2.0
195.13815	19.0
213.14815	2.1
269.17453	82.3
269.22522	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03948	3.2
55.01867	2.7
55.05264	1.7
55.05511	23.1
56.96565	1.7
57.03442	34.3
57.07077	5.7
65.03922	3.0
67.05506	66.3
69.06725	2.0
69.07070	32.9
70.53858	2.2
70.54180	1.4
71.04995	5.9
71.08610	1.2
73.02895	1.0
79.05494	39.6
81.03420	1.7
81.07059	100.0
83.04993	10.0
83.08617	18.7
85.06541	5.9
91.05493	18.6
93.07047	71.1
95.04963	6.1
95.08607	27.8
97.06543	17.5
97.10156	3.5
98.97590	1.5
99.04496	1.6
99.05145	1.2
99.08086	5.0
105.04547	1.2
105.07036	14.4
107.08598	39.0
109.06506	3.3
109.10150	7.5
111.08092	9.8
113.05988	3.3
115.16117	1.2
117.07043	10.3
119.08585	7.3
121.10149	25.0
123.11697	4.0
129.07001	1.9
131.08571	13.9
133.10126	13.7
135.07999	2.9
135.11673	10.0
137.09535	1.2
139.11223	1.7
143.08583	2.8
145.10132	3.6
147.11661	4.9
149.13260	51.2
157.10124	4.3
159.11693	24.4
161.13281	3.5
171.11731	2.8
173.13272	2.5
175.14775	1.5
177.12761	11.9
185.13306	1.6
187.14821	1.5
195.13814	16.7
199.14821	2.4
212.92516	1.3
213.16385	3.4
227.17902	1.4
251.12575	1.5
269.17493	69.3
269.22446	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.75724	1.0
53.03937	3.9
54.90451	0.9
55.01863	4.5
55.05271	1.4
55.05515	22.8
56.96557	2.1
57.03441	29.5
57.07059	4.1
65.03926	3.0
67.05508	76.9
69.07070	27.2
71.05000	7.4
71.08629	2.4
71.56313	0.8
71.56697	1.3
73.97932	1.0
78.71777	1.1
79.05498	51.3
81.03415	2.4
81.07061	100.0
83.04993	9.4
83.08628	20.0
85.06544	5.4
91.05484	25.3
93.07049	74.5
93.07560	0.9
95.04980	5.2
95.08612	27.5
97.06535	14.6
97.10153	2.2
99.08087	5.7
104.99248	1.4
105.04507	1.7
105.07042	11.9
107.08599	34.1
109.06523	3.7
109.10146	5.9
111.08086	9.0
113.06009	1.2
113.09618	1.1
117.07030	15.2
119.08588	5.1
121.06490	1.9
121.10154	18.9
123.11708	4.8
129.07040	1.3
131.08563	14.3
133.10133	15.6
135.08041	2.5
135.11700	13.5
139.07452	1.1
139.11160	1.8
145.27234	1.2
147.11661	2.0
149.09685	1.8
149.13268	43.2
149.75365	1.2
151.11238	1.5
157.10042	1.0
159.11710	28.2
161.13284	2.6
165.12704	1.5
165.59152	1.0
168.95761	1.2
173.13243	1.2
177.12764	16.4
179.14316	3.0
186.96785	1.3
195.13805	17.2
210.34027	1.0
213.14760	2.1
237.75656	1.0
243.03368	1.2
251.16409	2.4
269.17490	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03945	3.6
55.01867	3.7
55.05268	1.5
55.05512	19.4
56.96571	0.9
57.03439	32.8
57.07053	2.6
65.03928	3.0
67.05505	80.8
67.98521	0.9
69.03416	1.0
69.07069	26.4
71.04992	8.4
71.08615	1.3
71.43131	0.8
77.03938	0.9
79.05492	48.4
81.03435	1.6
81.07056	100.0
83.04988	12.6
83.08142	1.3
83.08619	21.4
85.06533	5.7
86.89830	0.6
91.04906	1.2
91.05481	29.1
93.07044	78.6
95.04968	8.1
95.08613	28.3
95.09239	1.0
96.92016	0.8
97.06532	18.6
97.10168	2.3
98.97585	1.1
99.04481	0.8
99.08059	4.4
105.04504	1.1
105.07023	10.8
107.04945	1.0
107.08595	35.0
109.06499	3.4
109.10119	5.4
111.08078	9.1
111.11724	1.5
113.05998	1.8
113.09635	1.2
117.07008	12.7
119.08553	3.8
121.06507	3.0
121.09320	1.5
121.10148	20.7
123.08096	0.9
123.11685	3.4
125.09599	1.3
127.07577	0.8
131.08568	15.5
133.10124	16.4
135.08061	2.6
135.11691	13.8
139.11176	1.8
143.08577	1.1
145.10100	1.4
147.11688	2.1
149.09613	1.3
149.13260	44.9
151.11177	2.7
153.12708	0.8
157.10139	1.1
159.11687	29.5
161.13257	1.8
167.14314	1.1
171.11624	1.0
177.12755	16.9
179.14290	3.0
195.11992	1.2
195.13812	18.0
213.14801	0.9
237.14772	1.2
251.16502	1.8
259.39752	0.8
269.17477	95.1
269.22418	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.08176	1.0
53.03937	3.2
55.01871	2.2
55.05264	1.3
55.05514	18.1
56.96567	1.8
57.03442	28.5
57.07059	4.2
57.65191	1.0
59.04995	0.9
64.60854	1.0
65.03955	1.4
67.05510	68.8
69.07072	26.3
69.79427	5.2
71.04996	5.9
71.08624	1.3
79.05499	44.3
81.03439	1.8
81.07062	100.0
83.04984	11.1
83.08626	17.5
84.08160	1.6
85.06578	4.9
91.05482	27.0
93.07050	72.5
95.04971	6.2
95.08607	24.9
97.06532	17.5
97.10168	2.7
99.08085	5.8
104.99255	2.7
105.04501	1.6
105.07030	11.4
107.08605	33.4
109.06533	3.4
109.10147	4.7
111.08091	8.3
113.05981	1.1
117.07025	14.8
119.08580	3.7
121.06428	1.4
121.10151	15.8
123.11713	3.4
131.08569	13.6
133.10135	17.1
135.08078	2.5
135.11696	13.0
136.36020	1.0
139.11098	1.7
145.10014	1.1
147.11617	1.4
149.13266	41.3
151.11171	4.0
159.11708	31.4
161.13229	3.7
163.10605	1.0
177.12761	19.5
179.14326	3.8
195.12001	1.1
195.13811	17.8
196.30615	0.9
198.25052	0.9
213.14824	2.1
251.16353	1.7
269.07977	1.5
269.17474	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68499	0.7
55.01864	0.8
55.05505	1.8
56.96560	1.9
57.03429	1.2
57.07068	1.2
67.05510	5.1
69.03448	1.6
69.07064	2.3
71.04993	1.5
71.57007	1.0
73.02927	0.8
74.43151	0.6
78.80835	0.7
79.05519	3.3
80.59648	0.7
81.03414	1.1
81.07058	6.3
83.04984	1.3
83.08617	1.6
84.08142	1.3
85.02905	1.1
86.09660	0.6
91.05486	2.8
93.07043	4.3
95.04974	1.4
95.08610	3.7
97.02911	1.3
97.06519	1.6
98.97588	4.2
99.04478	1.0
105.07057	2.6
107.04933	0.9
107.08604	3.2
107.82719	0.7
109.06546	2.0
109.10165	1.8
116.98609	1.7
117.07026	1.6
119.01894	0.9
119.08594	1.8
120.08151	0.9
121.06530	1.0
121.10178	1.9
123.08027	0.8
123.11668	0.7
131.00191	1.0
131.08583	1.6
133.10129	1.5
135.08025	1.4
135.11722	0.9
141.57446	0.6
145.02843	1.1
145.06468	0.9
145.10063	1.1
147.11693	0.8
149.06006	1.9
149.13261	1.4
151.11227	1.2
158.99641	0.8
159.11705	1.8
163.07571	1.9
163.61998	1.1
165.05418	0.8
173.05922	0.9
173.13292	1.2
177.05537	1.4
177.12700	1.0
191.07024	3.3
197.13254	0.6
201.05556	0.8
201.09732	0.9
209.08124	1.0
219.01747	0.9
219.06497	2.5
225.09630	1.5
233.11571	1.5
233.15251	0.9
237.05148	0.7
237.07626	1.2
243.10834	10.6
251.09261	3.7
251.12585	18.6
255.08786	1.4
269.13638	100.0
287.13272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26964	1.2
59.22123	1.2
60.14456	1.1
70.66345	3.8
87.63290	1.3
94.92984	2.3
114.45948	1.4
136.94019	5.0
162.95590	3.4
176.93547	2.8
222.97601	1.4
268.98264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03945	4.2
55.01864	8.3
55.05512	5.2
56.96572	5.1
57.03434	12.1
59.05002	2.9
67.05506	8.5
69.03431	5.2
69.07062	5.3
70.06593	4.6
71.05003	2.3
71.56551	1.8
71.56956	3.0
73.02915	6.2
79.05496	20.3
81.03413	5.3
81.07064	15.1
83.05017	2.7
84.04479	2.5
84.08149	7.6
85.02908	3.9
85.06561	2.5
86.09692	7.8
86.49951	1.9
87.04494	2.4
91.05486	32.2
93.03413	3.4
93.07043	9.7
95.01329	5.5
95.04979	7.8
95.08637	3.2
97.02917	2.5
97.06559	2.6
98.97572	4.8
99.04456	4.2
103.05473	5.4
105.03410	3.0
105.07034	18.0
107.04942	13.7
107.08595	7.2
109.02883	3.2
109.06524	22.6
110.07140	4.7
111.04471	2.1
115.05466	7.1
117.05602	2.4
117.06995	21.0
119.04935	10.1
119.08583	8.0
120.08098	7.1
121.06532	10.7
123.00794	11.8
123.04446	4.2
125.25296	2.0
129.07004	3.1
129.10248	3.3
131.04951	7.4
133.02933	3.4
133.06500	4.8
133.10130	2.5
135.04436	13.5
135.08083	8.8
137.05919	14.6
145.02866	2.9
145.06480	28.9
147.04424	6.6
147.08057	8.0
149.01219	3.1
149.06018	11.0
152.05699	15.7
153.04161	3.1
153.05209	3.4
153.06017	10.8
157.06487	2.5
159.04454	3.2
159.06699	3.2
161.06024	7.1
161.09634	4.7
163.03920	5.9
163.07550	32.5
165.05478	20.7
165.06706	3.0
167.07140	4.3
170.03720	2.6
173.05989	19.8
174.06888	4.1
175.07568	7.6
177.00740	2.1
177.05452	32.0
177.06848	2.5
179.06741	2.6
183.06494	4.0
191.07048	63.0
193.08736	2.5
201.05463	19.7
205.08667	5.6
209.08116	23.2
219.06528	55.2
219.08591	3.8
223.09698	9.0
231.08856	8.2
233.08058	2.3
237.07562	42.8
243.09052	3.5
249.05962	2.0
251.09151	100.0
255.08652	9.8
260.09000	2.7
269.10135	21.9
269.14395	7.9
269.19281	2.4
284.21368	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01875	0.3
57.03425	0.5
58.75510	0.2
69.03439	0.3
69.29708	0.6
69.30135	0.7
71.01360	0.2
73.02914	0.3
85.02906	0.2
94.04058	0.2
102.01013	0.1
119.03556	0.6
133.04916	0.2
136.06186	100.0
137.04585	0.3
137.06577	0.3
138.05495	0.4
252.97086	0.2
259.20288	0.2
268.10416	8.0
268.98358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01860	0.2
57.03433	0.5
61.39504	0.1
70.72819	0.3
71.01353	0.2
73.02917	0.3
76.36677	0.1
77.38835	0.1
85.02913	0.2
94.04080	0.4
106.95178	0.2
110.71145	0.1
119.03541	1.0
131.37317	0.1
133.04994	0.2
136.06190	100.0
136.59064	0.1
137.04611	0.3
137.06566	0.2
147.92345	0.1
199.43741	0.2
210.85216	0.2
268.10416	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	268.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01862	0.8
55.05502	1.2
56.05025	1.0
56.96563	0.8
57.03438	0.8
57.07067	0.4
61.02935	0.4
61.17393	0.3
66.05270	0.3
68.75678	0.3
69.07069	1.4
69.71417	1.8
70.06588	0.6
71.04966	0.3
72.04511	2.3
72.08154	0.3
73.02923	1.4
74.06057	0.4
78.71031	0.3
79.05495	2.3
80.05006	0.5
81.03413	0.8
81.07066	2.1
82.06573	0.7
84.08150	0.4
85.02896	0.4
91.05481	0.9
92.05838	0.4
93.07056	3.2
94.06575	1.4
95.08601	1.9
96.08118	0.5
97.02869	0.5
98.21462	0.7
98.97578	1.6
100.03969	0.6
102.05542	0.7
105.07039	1.0
107.08623	1.9
108.08122	9.8
108.08874	0.6
109.08891	0.9
109.10139	0.9
110.09693	0.8
116.98605	0.5
117.06991	0.4
119.08575	0.9
120.08121	0.4
121.02824	0.3
121.10087	0.5
122.09677	8.2
122.10493	0.3
123.10522	1.4
124.07586	0.4
124.11222	1.2
131.08600	0.5
133.10117	0.4
134.09628	0.4
135.11674	2.4
136.06184	4.8
136.11215	3.3
140.07066	0.4
142.08659	0.3
149.01173	0.4
149.02319	0.3
149.05455	0.3
150.12784	16.5
151.13556	7.4
152.07066	2.7
152.14417	0.6
154.08649	0.3
156.10205	0.7
158.99632	0.4
159.48520	0.3
163.11134	0.4
164.14403	0.3
167.09421	0.5
168.10201	0.7
170.08144	1.4
170.11839	0.9
173.09541	0.3
176.67908	0.3
178.15929	3.1
179.14249	0.6
180.10213	1.3
182.11745	0.7
191.10577	0.4
194.11740	2.6
195.12590	1.1
222.14946	2.0
224.16454	100.0
225.16785	0.6
226.18037	3.5
236.09930	0.4
237.05000	0.4
250.10744	0.5
250.18060	0.6
250.21635	0.3
259.39328	0.3
268.06769	2.0
268.19067	65.4
269.19275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
52.08833	0.6
55.01860	1.8
55.05512	5.5
56.96571	1.1
57.03441	0.8
59.57669	0.6
63.04181	0.6
67.05509	15.7
69.03433	100.0
69.07072	4.2
69.88593	3.5
71.05001	1.3
75.83766	0.6
79.05505	9.4
81.03413	1.3
81.07064	18.5
83.04983	4.3
83.08636	2.9
85.06561	1.8
85.97767	0.7
87.57656	0.7
88.39738	0.8
91.05484	12.7
93.07046	10.2
95.04995	2.5
95.08614	13.4
97.06545	10.1
97.10218	0.8
98.20783	0.7
98.98473	1.4
99.08100	1.0
105.07042	7.9
107.08606	8.3
109.06520	5.9
109.10160	8.1
111.04485	1.8
111.08106	2.5
117.06990	1.0
119.08578	6.0
121.06498	0.9
121.10146	8.0
123.08061	5.6
123.11736	2.5
125.06002	3.9
125.09653	1.1
129.07069	1.0
131.08597	2.8
133.10147	20.9
134.09769	0.7
135.08081	1.8
135.11743	1.5
137.09653	4.6
140.86050	0.7
141.12802	0.6
143.08575	1.3
147.11681	4.6
149.09659	3.8
149.13307	1.8
151.11171	5.6
157.10152	2.8
159.11763	1.1
161.13350	1.4
165.12811	1.3
173.13258	1.3
175.11273	2.0
175.14946	1.3
189.16383	5.2
193.12286	1.4
199.14806	4.7
207.17464	6.0
217.15909	5.7
235.16940	41.3
260.15933	0.8
267.19427	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	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03930	2.2
53.05608	0.9
53.51519	0.9
55.01861	2.0
55.05512	13.1
57.03436	2.3
67.05504	16.5
69.03425	2.4
69.07079	6.5
70.82692	3.0
71.04992	1.8
79.05489	29.8
81.03409	3.2
81.07057	100.0
83.04984	2.8
83.08624	7.9
91.05486	9.7
93.07041	16.8
95.04974	2.3
95.08601	14.9
97.06518	2.1
97.10181	4.8
105.07033	7.4
107.08591	21.1
109.06516	63.5
109.10110	5.2
111.08059	3.7
117.07009	2.2
119.08582	18.2
121.06503	1.5
121.10162	11.3
123.08091	7.2
125.09618	7.9
129.07004	1.8
131.08577	3.0
133.10115	11.2
133.86374	1.1
135.08072	3.5
135.11688	4.1
137.09607	3.6
143.08575	1.7
145.10100	1.7
147.08131	1.3
147.11697	2.0
153.09102	4.2
155.28850	1.0
157.10123	3.2
157.32111	1.1
161.13252	2.3
170.01265	1.0
171.10149	1.4
171.11662	1.1
173.13242	1.4
175.11163	1.7
175.14812	4.0
179.10728	1.4
179.14339	1.5
189.12691	2.2
189.16351	9.0
193.12114	1.0
199.14830	9.3
203.12791	5.7
207.17444	3.1
217.15872	6.9
235.16927	70.5
267.19568	3.2
269.89957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
51.08157	2.0
53.03928	2.9
55.01854	3.3
55.05510	15.3
57.07065	2.6
65.03948	1.9
67.05503	50.2
69.03429	100.0
69.07073	21.8
69.88592	4.6
69.88991	3.9
71.04962	2.0
79.05064	3.5
79.05489	45.0
81.07056	54.6
83.04978	5.3
83.08627	4.9
85.06532	3.3
91.05479	58.9
93.06473	3.6
93.07044	62.0
95.04945	6.1
95.08606	43.7
97.06529	17.2
97.10164	6.5
98.21423	2.2
98.98389	2.1
99.02290	2.1
99.08054	2.3
105.07034	35.2
107.04936	2.7
107.08601	36.5
109.06500	7.8
109.10155	12.1
111.04443	3.2
111.08059	4.4
117.07024	35.0
117.70219	1.8
119.08591	22.3
121.06501	2.4
121.10147	50.5
123.08058	8.5
123.11724	5.2
129.07004	4.1
131.08565	27.1
133.10135	34.2
135.08020	4.7
135.11638	9.6
137.09590	10.0
142.01422	1.8
142.07820	2.3
143.08546	11.9
145.10107	4.7
147.11691	9.7
149.09615	6.1
149.13261	3.4
151.11163	6.6
153.09029	2.2
157.10115	9.8
169.10114	2.6
171.11761	4.1
173.13237	3.0
175.14758	3.2
189.12825	3.2
189.16417	15.1
198.68066	2.3
199.14810	16.9
207.17445	10.1
217.15912	19.4
235.16928	80.3
249.18529	2.5
253.17976	6.4
267.19556	6.1
273.88803	2.1
277.16415	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	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03938	0.8
55.01863	2.5
55.05512	7.0
57.03439	1.6
65.03949	0.8
67.05507	21.1
69.03430	100.0
69.07069	7.0
69.48860	5.2
71.04995	1.7
77.72717	0.7
78.05630	0.6
79.05495	17.5
80.75139	0.7
81.03430	2.6
81.07058	26.7
83.04997	2.3
83.08614	3.7
85.06552	1.9
91.05484	20.5
91.07018	0.6
93.07047	19.2
95.04980	4.1
95.08605	18.1
97.06539	11.5
97.10188	2.4
98.98477	5.8
105.07037	11.7
106.64444	0.8
107.04939	0.9
107.08612	13.1
107.09311	1.3
107.42513	0.7
109.06547	5.3
109.10158	7.4
111.04481	2.5
111.08115	2.4
113.62862	0.6
117.07034	4.0
119.08582	8.4
121.06530	2.1
121.10132	13.9
121.10914	1.1
121.44718	0.7
123.08047	4.9
123.11694	3.2
125.05988	0.9
125.09630	1.8
127.07543	1.0
127.97095	0.7
129.07018	2.3
131.08551	5.7
133.10136	25.0
135.08081	1.6
135.11742	3.4
137.09590	5.6
139.11130	0.8
142.07867	0.7
143.08601	2.6
144.42079	0.7
145.10133	1.5
147.11690	7.4
149.09653	4.1
149.13286	2.9
151.11189	5.4
157.10149	4.4
159.11688	1.1
161.09662	1.3
161.13306	1.0
165.12831	1.2
165.16470	0.9
167.14342	0.9
171.11734	1.0
173.13287	1.3
175.11208	1.6
175.14891	1.9
184.59810	0.7
189.16388	7.5
193.12318	1.9
199.14787	5.4
207.17444	5.1
217.15855	7.7
235.16934	41.4
249.18437	1.2
267.19623	4.5
271.08121	0.7
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	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03945	0.7
55.01867	2.5
55.05515	5.9
56.95013	0.7
56.96557	2.2
57.07075	0.8
60.40519	0.8
62.77266	0.7
65.03947	1.0
67.05508	18.4
69.03432	100.0
69.07060	6.7
69.24880	3.7
69.25307	3.7
71.05009	2.5
79.05499	14.1
79.73022	0.8
81.03444	1.8
81.07059	23.8
81.07525	1.5
83.04983	2.2
83.08635	4.3
85.06552	2.1
90.13621	0.7
91.05482	17.0
91.06017	1.3
93.07050	15.7
95.04977	3.4
95.08614	15.0
97.06538	9.4
97.10188	1.4
98.98476	7.6
99.08090	1.3
105.06375	1.2
105.07039	12.0
107.05003	0.9
107.08587	12.7
107.09185	0.9
109.06531	6.7
109.10162	7.7
111.04491	1.8
111.08102	3.9
117.07024	3.0
119.08577	6.5
121.06531	2.6
121.10155	10.3
123.08075	6.4
123.11719	2.8
125.05996	1.8
125.09618	1.7
127.07638	1.0
129.07039	1.7
131.08575	6.7
133.10132	23.3
135.08034	1.2
135.11717	2.4
137.09659	4.9
143.08566	1.6
145.10220	1.1
147.08153	1.1
147.11684	6.2
149.09630	4.3
149.13313	2.6
151.11189	5.8
157.10136	3.9
159.11801	0.8
161.13318	1.3
165.12776	1.1
171.11717	0.8
173.13347	1.1
175.11221	2.5
175.14861	2.9
189.16386	6.9
193.12199	2.3
199.14812	6.0
207.17435	5.3
217.15915	7.5
235.16937	42.3
267.19604	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	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03936	1.3
55.01859	2.2
55.05515	9.6
56.96558	1.3
57.03440	5.3
57.07071	1.5
65.03931	1.3
67.05508	26.5
69.03427	1.2
69.06728	1.1
69.07072	13.0
69.93308	2.0
69.93713	1.1
71.04987	3.0
74.99709	0.6
79.05494	18.8
81.03421	5.4
81.07059	71.9
83.04984	6.0
83.08614	6.9
85.06552	2.9
91.05482	21.5
93.07047	10.6
95.04964	3.6
95.08614	19.4
95.09132	0.4
95.09232	0.8
97.06528	5.0
97.10175	0.8
98.97590	0.8
99.08090	3.1
101.06068	0.9
105.07034	27.0
107.04945	1.3
107.08599	10.0
109.06550	4.1
109.10155	2.1
111.08083	1.4
113.06001	1.2
117.07048	1.0
119.08590	21.1
121.10142	12.8
123.08078	4.3
123.08836	0.6
123.11709	16.2
125.09617	0.7
127.07520	1.4
129.06979	1.8
131.08571	2.1
133.10112	3.8
135.11714	0.8
137.13266	1.3
141.09105	0.7
145.10112	1.4
147.11694	44.9
149.09598	0.8
155.08513	0.8
157.10168	3.1
165.12767	18.2
171.11731	0.7
175.11183	2.5
183.11880	0.8
183.13795	1.4
191.70245	0.8
193.12251	2.7
223.22812	0.7
229.14093	0.8
239.14052	0.7
249.14810	0.8
267.09961	3.7
267.15933	100.0
267.20972	3.4
285.10211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03943	1.4
55.01880	1.7
55.05512	11.2
56.96568	0.8
57.03433	5.6
57.07078	1.2
59.04988	0.6
65.03950	1.7
67.05504	33.1
69.03424	0.6
69.07066	13.8
71.04991	3.2
71.08630	0.6
71.56758	0.5
73.06551	0.5
76.19755	0.3
79.05493	20.1
81.03419	5.3
81.07055	81.6
83.04982	8.6
83.08620	6.4
85.02898	0.5
85.06544	4.0
87.04456	0.8
91.05481	25.4
93.07043	11.4
95.04977	3.8
95.08605	23.0
97.02899	0.4
97.06530	5.9
97.10167	1.2
98.97555	0.3
99.04465	0.5
99.08098	3.5
101.06004	1.2
102.67953	0.3
105.04544	0.5
105.07030	30.9
107.04972	1.3
107.08595	7.6
109.06512	4.2
109.10144	1.9
111.04495	0.6
111.08080	1.5
113.05989	0.9
115.07568	0.5
117.07021	0.8
119.01846	0.4
119.08582	22.1
121.06524	0.4
121.10140	12.7
123.08060	3.6
123.11708	20.5
125.09595	0.6
127.07536	1.9
128.06236	0.4
129.07016	2.5
131.08618	2.0
133.06456	0.4
133.10136	5.3
137.09686	0.5
137.13229	2.1
141.09122	0.7
142.07759	0.6
143.01927	0.3
145.10104	1.0
147.11687	46.5
149.09647	0.8
157.06474	0.3
157.10141	2.8
163.11153	0.5
165.12755	19.9
175.11153	2.4
183.13770	1.8
193.12215	3.1
221.05013	0.5
223.04494	0.7
229.14375	1.3
267.15915	100.0
285.10248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03933	1.5
55.01863	2.2
55.05265	0.7
55.05511	9.9
56.96561	1.4
57.03436	9.4
57.07081	0.9
59.05001	0.6
61.61994	0.7
65.03956	1.0
67.05508	26.8
68.63637	0.6
69.03417	1.9
69.06727	1.1
69.07072	12.1
71.04983	2.4
71.57148	0.9
75.22372	0.7
79.05499	19.8
81.03423	24.1
81.07061	68.0
83.04977	7.7
83.08611	8.3
85.02881	1.2
85.06561	3.3
87.04433	0.7
91.05482	26.6
93.07051	14.0
95.04981	7.4
95.08613	18.6
97.02869	1.0
97.06533	6.2
97.10126	1.3
98.97594	1.2
99.08125	2.9
101.05981	1.1
103.36215	0.6
105.07037	29.3
107.04953	2.0
107.08596	10.5
109.06520	4.2
109.10152	1.8
111.04452	1.1
111.08067	1.8
113.06030	0.8
115.05448	0.9
117.07017	1.7
119.04961	2.8
119.08586	20.6
121.10139	12.6
121.11013	0.6
123.08089	3.6
123.11710	16.9
125.09638	1.0
127.07555	1.9
129.07002	3.7
130.16931	0.7
131.08586	3.7
133.06569	1.2
133.10156	5.8
135.11642	0.9
137.09630	1.4
137.13240	1.5
142.07787	1.5
145.10100	1.8
147.04416	7.5
147.08060	0.9
147.11696	37.8
149.09616	1.4
151.07445	0.6
156.05969	0.6
157.10121	4.6
158.99600	0.7
161.09576	0.7
165.12753	16.0
169.10124	0.9
171.11685	0.9
173.06044	0.8
175.11198	4.1
183.13806	2.3
185.13231	0.8
187.04655	0.6
193.12259	7.4
208.29971	0.6
209.07875	4.2
223.04158	1.2
229.14343	0.6
249.10913	0.9
251.08588	0.8
267.12088	17.9
267.15897	100.0
285.10178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1205
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
53.03942	0.5
55.01861	0.5
55.05523	2.0
56.72929	0.4
56.96568	2.6
57.03427	0.7
57.07077	0.7
61.83485	0.4
66.28458	0.4
67.05508	2.6
69.03428	1.0
69.07063	1.6
70.12354	1.6
71.95239	0.4
72.72226	0.4
79.05473	1.7
81.03429	2.9
81.07059	3.6
83.04966	1.2
83.08600	1.0
85.02929	0.6
85.06529	0.5
87.01967	0.4
91.05487	2.5
93.07041	1.6
95.04961	0.9
95.08620	2.9
97.06533	1.0
97.10185	0.5
98.97572	1.6
100.11262	1.5
105.07030	1.6
107.08585	1.7
109.06559	0.8
109.10157	0.8
115.48651	0.4
116.06316	0.4
117.45673	0.4
119.04985	0.5
119.08559	1.6
121.10157	1.4
123.08073	0.7
125.09672	0.6
129.01851	0.6
131.08546	0.8
133.06442	0.4
133.10114	1.2
145.10124	0.7
147.04398	1.9
147.11693	1.6
161.09618	0.4
165.09142	0.5
165.12729	0.6
175.11282	0.6
185.04820	0.5
185.16556	1.0
187.14807	0.4
193.01672	0.5
193.08405	3.2
193.12195	0.8
203.05959	0.7
207.10043	0.7
209.07864	13.5
211.14848	0.6
223.04276	1.0
225.11203	1.0
226.08438	0.5
235.09325	1.0
249.10982	5.0
249.14841	0.5
249.18546	0.5
250.14391	0.6
267.09363	5.0
267.12030	100.0
267.20972	3.0
268.12402	0.4
285.10110	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05040	18.4
56.96564	1.7
57.03439	2.7
57.62284	0.5
58.06606	4.8
67.05522	0.5
69.07078	0.6
69.67782	0.8
69.68188	1.7
70.06597	0.7
72.08158	1.1
73.69649	0.4
74.06085	100.0
74.36480	0.4
79.05523	0.5
84.04509	4.2
84.08137	0.9
85.02916	1.0
86.30706	0.6
87.08122	0.9
91.05483	1.7
95.08648	0.6
97.02866	0.6
97.06514	0.4
98.20801	0.9
98.97591	2.6
101.07154	1.5
103.05481	1.4
107.04977	0.6
107.08693	0.4
116.98640	1.1
119.07339	0.5
120.08115	53.6
121.06528	1.3
130.04980	0.5
131.04874	1.1
132.98120	0.7
136.06209	1.5
143.00226	0.8
146.05942	0.5
147.04459	1.0
149.06023	1.1
152.05722	0.5
158.09689	1.2
160.11176	0.5
166.08652	42.7
176.10748	1.4
177.10190	0.6
184.60265	0.4
203.11807	1.4
221.12869	8.2
248.99295	0.4
249.02943	0.5
249.12428	6.1
267.00226	2.0
267.13428	17.3
285.01300	0.7
285.04773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99242	0.2
55.01870	0.3
55.05515	1.1
56.05042	0.4
56.96569	0.6
57.03446	0.4
57.09508	0.2
59.05001	0.9
61.02927	1.4
64.74640	0.2
67.05512	1.1
69.07054	0.4
70.00935	1.1
70.05617	0.2
70.06599	0.4
71.05006	1.6
71.83010	0.3
72.04514	0.5
74.06080	0.4
75.32412	0.2
79.05499	1.0
80.05019	1.0
81.03417	0.3
81.07066	4.1
82.06568	0.3
83.04960	0.2
83.08646	0.3
84.08140	0.4
85.06595	0.3
86.09730	0.2
87.08118	0.3
88.24104	0.2
91.05490	0.6
93.07024	0.4
94.04071	0.9
95.04949	0.2
95.08614	0.7
98.06065	0.3
98.21497	0.2
98.97620	0.6
105.07052	0.4
107.08636	0.3
109.10117	0.3
110.09692	0.3
111.08069	0.4
119.03569	1.9
124.99117	0.4
136.06195	100.0
137.04568	0.9
143.00151	0.3
144.09084	0.2
145.02841	0.5
150.07797	0.5
167.03618	0.9
168.13881	0.4
177.05496	0.5
179.14313	0.3
185.01172	0.4
192.13812	0.2
213.04807	0.3
215.02931	0.2
220.88680	0.2
227.04695	0.3
234.13506	18.5
236.05077	0.3
238.21669	1.0
248.20067	1.8
266.16122	54.4
266.20694	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.1
58.06578	0.1
58.62211	0.1
67.46209	0.1
71.54928	0.1
82.99805	0.7
98.97677	0.2
101.00882	5.0
116.98786	0.3
119.01919	8.2
120.02020	0.3
122.97782	0.2
134.99879	0.5
137.02956	1.0
140.98825	1.1
142.03493	0.1
152.38736	0.1
158.99893	3.4
165.99603	0.2
175.03070	0.4
177.00954	18.0
177.93413	0.2
178.01057	0.1
182.99844	1.1
183.01303	0.1
184.00728	0.1
193.04128	0.2
193.48642	0.1
199.03003	0.3
201.00941	3.4
201.02527	0.7
217.04080	3.2
219.02005	22.9
219.94444	0.7
220.02095	0.7
225.00836	2.5
227.99586	0.1
234.00743	0.4
237.95538	0.2
241.96045	0.1
242.03584	0.2
242.96234	0.5
243.00046	0.2
243.01974	13.1
261.03058	100.0
262.03259	1.3
263.03455	0.3
266.03592	0.3
266.07919	0.3
275.04666	0.2
284.04657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.86723	0.7
53.03941	3.0
55.01871	2.1
55.05263	1.1
55.05513	13.9
56.42693	0.9
56.96562	5.6
57.03416	2.3
57.07063	2.9
63.02814	0.7
65.03928	3.6
67.05507	98.4
69.03424	1.4
69.07071	10.8
71.04995	2.6
71.56834	0.8
79.05499	19.4
81.03422	23.6
81.07062	100.0
83.04971	2.6
83.08627	5.2
85.02877	0.8
85.06531	3.1
90.00018	0.8
91.05481	13.4
93.07049	17.3
95.04974	25.0
95.08612	83.2
97.06526	3.4
97.10159	3.4
98.97578	3.1
99.08051	1.1
101.06030	1.1
103.05491	1.1
105.07043	11.9
107.04955	2.5
107.08599	10.4
108.97664	0.8
109.06515	7.4
109.10161	58.5
110.97574	1.4
111.08025	1.9
111.11707	1.0
116.06274	0.8
117.07023	5.1
119.08587	8.7
121.06506	5.9
121.10163	8.8
122.07161	4.8
123.04435	2.5
123.08087	4.3
123.11707	26.0
125.06081	1.4
127.07566	0.9
128.98640	0.9
129.02225	1.0
129.06981	2.9
131.08577	14.4
133.06516	1.4
133.10149	6.2
135.08083	3.6
135.11705	6.5
137.09605	3.4
137.13258	6.6
144.04779	1.4
145.06404	0.8
145.10168	6.7
147.10570	0.9
147.11661	4.5
149.09604	3.5
149.13287	4.0
151.11195	2.2
151.14867	1.8
155.08531	1.8
159.11707	2.8
161.13232	1.2
163.11118	1.5
163.14838	1.5
165.12718	2.4
167.10692	1.3
169.10217	1.6
170.99634	0.9
171.03238	0.9
171.11670	3.3
173.09709	0.9
173.13243	5.0
177.12700	2.1
181.12196	1.4
184.09328	0.9
187.14836	6.6
191.14294	1.7
195.13834	3.0
197.13268	3.2
205.15918	2.0
209.15395	3.1
213.07881	0.9
215.14359	4.1
217.07622	0.8
223.16913	1.4
229.19557	2.2
233.15384	15.3
247.09584	0.8
247.16837	2.0
247.20610	3.6
265.11963	1.0
265.14325	2.8
265.18085	6.8
265.21634	59.4
283.12085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
51.02390	0.9
53.03956	1.9
55.01867	1.6
55.05511	10.4
56.96564	2.4
57.03440	2.0
57.07077	2.3
63.14405	0.6
65.03949	3.1
67.05508	98.5
69.03429	1.4
69.07072	10.4
71.04984	1.5
71.57212	0.9
71.95274	0.8
72.49216	0.7
79.05499	16.1
81.03429	11.1
81.07060	100.0
83.04989	2.2
83.08618	6.8
85.06549	2.8
91.05486	7.9
93.07050	14.7
95.04975	10.5
95.08611	94.6
96.20850	0.7
97.06529	2.2
97.10195	2.6
98.97571	2.6
99.08089	0.8
100.22555	0.7
105.07040	6.1
107.04983	1.6
107.08603	9.1
109.06538	4.2
109.10161	68.7
110.89728	0.7
110.97585	1.2
111.08089	1.1
115.00230	0.7
116.98607	0.8
117.07013	3.1
119.08582	6.1
121.06522	3.2
121.10152	8.1
122.07198	2.0
123.04456	1.7
123.08066	3.0
123.11716	30.9
125.09612	1.0
127.07613	1.0
128.98607	0.9
129.06999	0.9
131.08577	8.1
133.10129	5.0
135.08054	2.3
135.11714	5.8
137.09604	2.3
137.13249	7.6
141.09001	1.0
145.10098	4.0
147.08072	1.0
147.11705	3.2
149.09618	2.1
149.13242	3.1
151.11223	2.1
151.14833	3.2
155.10637	0.9
159.11687	3.3
161.13252	1.0
163.11154	2.7
163.14827	1.8
165.12723	1.7
167.10678	0.8
173.13252	5.0
177.12730	1.8
181.12250	2.1
187.14877	3.9
195.13826	3.2
197.13338	1.3
205.15868	2.0
205.19522	0.8
209.15410	4.5
215.14308	2.1
219.01750	1.0
221.08000	0.6
223.16908	2.6
229.19533	2.7
233.15321	6.5
247.17001	1.6
247.20554	5.1
260.12476	0.8
265.14365	4.4
265.18225	4.3
265.21628	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03943	1.3
55.01889	1.3
55.05510	10.3
56.96576	4.6
57.03458	1.8
57.07069	2.2
61.86539	0.6
62.50801	0.6
65.03942	2.4
67.05509	100.0
69.03444	1.9
69.07070	11.5
70.73266	2.2
71.12611	0.7
79.05502	14.0
79.89220	0.8
81.03429	1.7
81.07063	98.4
83.04995	2.2
83.08640	5.6
85.06554	1.7
91.05479	6.3
93.07053	13.1
95.04979	1.5
95.08613	85.0
97.06535	2.0
97.10172	2.8
98.97592	2.7
99.08080	0.9
99.56403	0.7
102.13748	0.8
105.07066	4.1
105.87170	0.8
107.08595	8.6
109.06519	1.7
109.10162	61.0
111.08144	1.1
111.11735	0.9
117.07032	2.4
119.08601	3.6
121.06532	0.9
121.10155	7.3
122.07181	7.5
123.08079	1.3
123.11711	32.3
128.98648	0.9
131.08577	3.9
133.10172	3.5
135.08099	1.7
135.11696	5.9
137.09636	1.8
137.13268	7.1
139.11119	1.0
144.04762	1.7
145.10146	3.2
147.11708	2.3
149.09615	1.9
149.13268	4.8
151.11191	1.5
151.14865	1.5
155.00171	0.8
158.99660	0.9
159.11690	2.5
161.13260	1.1
163.11168	1.6
163.14886	1.7
165.12836	1.1
167.10706	1.6
173.13278	4.6
177.00861	0.8
177.12779	1.1
179.07864	0.7
181.12213	1.5
185.04898	0.8
187.14868	1.3
191.14342	1.2
195.13795	3.9
205.15837	1.1
205.19498	1.1
209.15466	3.8
219.21022	0.9
223.16969	1.6
229.07674	1.1
229.19495	2.8
247.20587	6.1
265.11536	1.2
265.14209	3.6
265.21643	77.8
269.10635	3.1
287.11624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
53.03939	4.5
54.88640	0.9
55.01858	3.8
55.05513	13.5
56.96568	5.6
56.96812	0.9
57.03428	3.3
57.07064	3.3
65.03939	4.0
67.05508	100.0
69.03426	2.9
69.07070	16.2
69.68650	2.7
69.69072	3.9
71.04997	2.6
72.72066	1.1
79.05074	1.7
79.05501	32.7
81.03424	42.0
81.07061	97.5
83.04994	5.9
83.08609	6.9
85.02883	1.5
85.06536	6.8
87.08149	1.1
91.05485	35.8
93.07047	29.3
93.40710	1.2
95.04975	41.1
95.08610	75.3
97.06528	4.5
97.10178	2.9
98.97588	2.9
99.08066	2.3
103.05467	2.0
105.07040	29.5
107.04960	7.6
107.08596	15.4
109.06525	11.6
109.10158	50.9
111.08078	2.6
115.05437	1.2
116.98677	1.5
117.07008	13.2
118.96086	1.1
119.07786	1.8
119.08583	18.6
120.08213	1.0
121.06516	14.1
121.10144	11.0
122.07182	5.6
123.04431	4.0
123.08092	5.3
123.11718	21.5
125.05997	3.2
127.85755	1.1
128.98602	1.7
129.07031	6.8
131.07584	1.9
131.08575	34.8
133.06494	2.3
133.10138	9.0
135.08051	8.6
135.11674	4.7
137.09602	6.1
137.13278	5.2
139.07437	1.5
141.07010	3.0
143.08548	4.1
145.10135	14.8
146.99577	1.2
147.08034	3.2
147.11707	8.0
149.09613	6.2
149.13260	4.6
151.11218	1.6
151.14787	1.3
155.08583	3.4
156.09280	1.6
157.10213	1.0
159.08002	1.5
159.11690	5.7
161.13300	1.8
163.11211	1.5
163.14848	1.4
165.12735	3.0
166.43951	1.0
169.10135	2.9
169.12184	1.1
171.03284	1.1
171.11700	7.2
173.09613	1.6
173.13271	7.7
177.12778	1.9
181.12233	1.6
185.13306	1.6
187.11243	1.4
187.14845	13.2
189.12735	2.3
191.14287	1.5
195.13783	2.4
197.13269	10.8
205.15881	6.4
209.15327	2.7
215.14340	9.8
223.16936	1.8
229.19608	2.5
233.15385	38.4
247.16852	6.0
247.20667	2.6
265.14310	5.0
265.18027	15.5
265.21631	44.6
283.12219	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	265.1548
Annotation	Val Phe
Peak:m/z	Relative Intensity
50.64543	0.2
53.03940	0.4
55.05513	10.4
56.05030	0.4
56.96582	0.4
57.05812	1.0
69.03423	0.4
69.72919	1.6
70.06604	0.4
72.08157	100.0
85.02905	0.4
86.09722	1.0
98.73881	0.2
98.97599	0.5
103.05498	0.3
114.71241	0.3
120.08112	12.2
122.07157	0.7
126.69074	0.2
127.95508	0.3
131.04933	0.4
131.26077	0.3
135.15269	0.3
145.02921	0.4
166.08647	12.3
177.05563	0.8
183.57147	0.3
219.14883	0.6
265.15497	4.8
271.28409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
55.05502	1.3
55.29624	0.3
56.96562	0.7
57.03444	0.6
60.04509	0.4
64.64283	0.3
67.05502	1.0
69.03423	1.6
69.07065	0.8
69.51386	1.7
69.51794	0.8
70.06606	2.1
72.08159	6.4
74.06086	0.4
79.05486	1.1
81.04545	0.4
81.07064	1.2
84.04506	1.3
84.08136	1.3
85.02908	0.9
86.09708	2.9
91.05481	2.5
93.07048	3.1
95.04971	1.0
95.08576	0.8
97.02883	0.7
97.06544	0.5
98.21473	0.7
98.97588	0.4
103.05469	5.1
105.07037	2.4
107.04976	0.4
107.08563	0.5
109.06516	0.9
110.07124	0.5
111.04455	0.6
115.03928	1.0
117.07046	0.7
118.06505	0.4
118.08646	2.1
119.04928	0.4
119.08606	2.1
120.08111	100.0
121.06503	1.3
121.08429	0.5
121.10120	0.6
122.07153	6.0
123.08078	0.8
129.06987	0.8
129.10231	0.6
130.05002	0.7
131.08575	1.4
133.10156	1.0
135.08078	1.8
137.06003	0.4
139.03845	0.3
144.04808	1.5
145.06497	0.5
145.10196	0.8
147.04408	1.3
147.08029	1.6
147.11681	0.7
149.09578	0.5
151.07578	0.6
155.08502	0.4
158.07231	0.5
158.16843	0.4
159.08070	1.5
159.11726	1.0
161.09625	0.9
165.09120	0.8
171.08150	0.4
171.11671	0.4
172.08926	0.7
173.05951	0.5
173.09724	0.6
173.13177	0.9
175.07542	2.0
175.11224	1.0
177.05539	0.4
183.11749	0.6
184.07434	0.3
187.11195	1.0
188.08398	0.4
189.09146	0.4
189.12753	0.4
193.08563	0.5
196.00113	0.3
201.12747	0.8
203.10681	1.3
206.45488	0.4
211.11125	0.8
217.12334	0.9
219.15050	2.2
229.12227	0.9
242.19685	0.3
247.13356	1.3
265.12222	0.5
265.15622	7.2
265.18683	0.5
265.19485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03934	8.7
53.18451	2.9
55.01878	5.2
55.05504	23.0
56.05018	7.8
56.96547	11.3
57.03421	9.3
63.11083	3.2
65.03933	10.5
67.05507	26.5
69.03429	43.3
69.07053	7.0
69.86594	7.4
69.87010	14.1
70.06580	10.5
71.04971	8.8
72.08154	52.0
73.02916	4.1
79.05489	19.6
81.03415	3.7
81.07056	22.7
83.04960	9.8
83.08632	4.4
83.32909	3.3
84.08131	6.9
85.02895	16.8
86.09689	18.4
91.05473	45.1
93.03396	8.6
93.07037	44.5
93.73936	3.4
94.25726	3.2
95.04979	42.6
95.08599	29.0
97.02864	12.7
97.06516	9.8
98.97569	11.6
99.04483	4.3
103.05464	8.5
105.07027	75.3
106.04900	10.5
107.04936	6.4
107.08598	28.9
109.02870	3.7
109.06519	35.4
109.10144	6.4
111.04430	34.8
111.08082	13.0
113.05978	17.6
115.03917	19.6
116.06203	7.2
117.07050	15.9
119.04953	4.8
119.08578	100.0
120.08114	32.3
121.02861	14.1
121.06516	40.9
121.10166	16.7
122.07146	23.6
123.04439	4.2
123.08057	26.1
125.02351	3.3
125.05979	4.0
128.06189	9.9
129.06967	22.8
129.10196	4.3
130.07788	6.0
131.04948	3.5
131.08571	50.8
133.06482	10.5
133.10152	17.0
135.04373	4.4
135.08060	83.7
137.05949	10.3
137.09612	20.4
139.03865	9.1
139.07503	8.3
141.06982	8.4
142.07780	11.5
143.08588	18.6
144.04692	5.3
144.09354	7.0
145.02902	3.8
145.06471	15.1
145.10132	37.7
146.07222	4.4
147.04352	7.0
147.08054	41.9
147.11685	22.2
149.05956	4.9
149.09599	10.2
151.07454	5.1
153.07028	6.3
155.08559	9.0
156.09308	6.8
157.06398	5.0
157.10112	22.8
158.07280	20.1
158.99684	5.1
159.08061	45.3
159.11703	40.1
160.08833	4.9
161.04579	3.6
161.06004	4.5
161.09631	43.6
163.07503	5.3
165.09119	32.5
167.08595	3.8
168.09296	7.8
169.10199	7.2
171.08115	7.5
171.11659	10.0
172.08900	21.8
173.06071	3.6
173.09653	20.7
173.13252	19.6
175.07550	73.7
175.11154	38.1
176.03302	4.0
177.05444	9.4
177.12759	5.3
181.06546	3.9
181.36197	3.2
183.11685	16.8
185.09630	7.8
186.10353	7.8
187.11201	43.2
188.08350	3.5
189.09074	8.6
189.12749	13.3
193.08598	19.9
193.10072	4.2
196.08789	10.5
199.11157	18.3
201.12738	42.5
203.10663	58.5
205.12181	7.3
210.03722	3.6
211.11116	22.9
217.12213	34.5
219.13814	10.0
229.12207	35.4
235.13199	9.1
247.13284	60.8
265.06696	4.3
265.14313	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.00299	0.9
53.03934	2.0
55.01868	1.4
55.05513	16.4
57.03423	1.8
57.07079	11.2
59.33019	0.9
59.90372	0.9
65.03933	2.8
67.05505	93.6
69.07068	19.3
71.04980	1.9
71.08621	6.9
71.40738	1.1
79.05054	1.7
79.05490	21.9
81.03421	1.3
81.07058	100.0
83.04958	2.6
83.08621	16.1
85.06529	5.1
85.10166	2.1
88.15930	1.0
89.82887	1.0
91.05485	17.0
93.06483	1.4
93.07049	23.2
95.04966	2.4
95.08609	87.5
97.06545	6.7
97.10162	8.7
99.08116	6.7
104.99274	8.8
105.06390	1.1
105.07046	12.2
107.04987	1.3
107.08598	14.8
109.06489	1.4
109.10163	45.3
111.08101	5.7
111.11702	2.1
113.09625	2.8
119.08591	12.7
121.10156	17.5
123.08009	1.3
123.11710	22.1
125.09637	1.9
127.11116	2.0
133.10135	15.7
135.11690	11.4
137.09604	3.3
137.13261	9.8
139.11223	1.2
141.12732	2.0
147.11676	9.3
149.13257	9.6
151.14832	9.7
155.14282	2.3
161.13263	11.1
163.14839	7.9
165.16417	10.0
167.14168	1.1
175.14815	8.3
177.16412	1.7
179.17953	5.4
181.15875	1.3
189.16464	5.5
203.17921	1.9
217.19563	1.8
245.22658	41.9
261.65814	1.0
263.23709	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.35287	7.9
50.64661	9.6
51.78883	7.3
52.71947	8.3
55.01873	9.8
55.05507	19.7
56.96565	37.8
57.03440	18.1
59.04993	12.2
67.05495	38.7
69.03432	58.8
69.07050	24.6
69.81891	48.4
71.04996	8.5
72.08147	18.1
73.02919	15.0
76.16799	7.0
79.05501	31.8
81.03411	27.3
81.07050	36.1
83.04988	64.3
84.08138	9.4
85.02899	27.8
86.09718	10.2
87.00837	14.8
87.04488	14.4
91.05466	33.9
93.07032	36.4
95.04996	13.6
95.08598	22.3
97.02871	39.2
97.06509	16.7
98.97590	31.6
105.07003	19.1
107.04945	9.7
107.08616	45.8
109.02874	27.0
109.06532	20.5
109.10134	15.1
111.04418	15.3
115.03928	32.1
115.05430	10.0
117.07049	21.1
119.04960	9.7
119.08562	33.3
120.08127	12.9
121.06501	30.6
121.10149	17.7
122.07151	37.9
123.08042	12.0
129.07008	10.0
129.10185	8.5
131.08566	32.6
135.08086	77.4
135.11673	15.6
137.06010	11.2
137.09613	11.7
143.08557	9.7
145.06490	34.2
145.10147	18.7
146.92847	8.2
147.04478	11.1
147.08121	9.8
149.06015	13.2
149.09616	17.6
155.08427	10.2
159.11707	33.0
161.09682	15.8
161.13239	10.1
163.03912	8.4
163.07523	41.6
163.11205	18.2
172.08713	10.3
173.06065	13.9
173.09686	15.8
173.13269	20.9
177.00639	8.9
181.08601	8.9
186.10378	18.3
187.11182	54.7
189.09132	14.3
190.06203	10.5
191.07019	28.8
201.12688	51.6
205.08530	13.5
205.12241	24.4
209.08102	16.7
211.11349	10.7
215.07066	14.6
217.08813	10.3
219.13858	14.2
229.12204	62.9
247.09601	12.7
247.13335	100.0
265.08368	21.6
265.11075	25.0
265.14313	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.79472	0.4
53.03945	1.7
55.01877	0.8
55.05511	14.6
56.96567	1.9
57.03433	2.0
57.07076	11.9
57.07319	0.4
65.03949	2.5
66.95114	0.5
67.05506	87.8
69.03416	0.6
69.07069	17.4
71.05012	2.4
71.08634	7.7
77.03928	0.7
78.03273	0.5
79.05494	21.0
81.03458	0.5
81.07059	100.0
83.05008	2.4
83.08618	14.8
84.51056	0.5
85.06552	4.1
85.10177	3.1
91.05484	17.8
93.07047	25.5
95.04969	1.4
95.08611	83.3
97.06535	7.5
97.10178	7.0
99.08101	6.2
105.07034	12.8
107.08596	15.7
109.06510	1.4
109.10161	48.3
111.08091	3.9
111.11739	2.0
113.09646	3.3
117.32044	0.4
119.08590	12.8
121.10149	18.3
123.08047	1.7
123.10812	1.1
123.11714	21.8
125.09653	1.2
127.11184	1.7
131.08618	0.7
133.10129	14.2
135.08092	0.7
135.11697	10.8
137.09651	2.4
137.13269	9.0
141.12787	2.9
147.11697	10.7
149.13266	9.5
151.11177	1.6
151.14806	7.9
155.14304	2.7
157.10069	0.8
161.13257	10.5
163.14818	8.3
165.12646	0.6
165.16402	9.7
171.62100	0.5
175.14824	8.6
177.16409	2.2
179.17955	4.7
180.29016	0.5
181.15794	1.2
189.16383	4.3
193.15784	0.8
199.06427	4.2
203.17979	1.6
207.17502	0.8
217.07452	4.1
217.19527	2.0
221.19003	0.6
222.08083	0.8
240.09471	0.5
245.22656	39.7
263.23706	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.94399	0.6
53.03951	1.3
55.05260	1.2
55.05513	14.4
57.03432	2.8
57.07077	11.5
58.53096	0.6
60.12915	0.6
65.03950	0.9
67.05505	87.7
68.94055	0.7
69.07068	17.8
69.30679	2.4
69.31098	3.6
71.04986	1.5
71.08626	6.8
76.05636	0.7
79.05494	23.7
81.07056	100.0
83.04981	2.2
83.08618	12.7
85.06548	4.5
85.10184	2.9
91.05486	16.5
93.07047	23.7
95.04974	1.4
95.08607	84.4
97.06525	8.0
97.10165	7.4
99.08096	5.5
105.07037	9.6
107.08599	15.8
107.09293	1.2
108.09148	0.7
109.06505	1.3
109.10158	48.9
111.08074	4.4
111.11709	2.1
113.09663	3.4
117.87215	0.6
119.08585	12.1
121.10146	17.6
123.08118	1.3
123.11716	20.4
125.09637	1.2
127.11179	1.9
133.10135	15.2
133.11102	1.3
135.11699	12.2
137.09627	2.1
137.13263	9.8
139.11160	0.7
141.12738	2.3
147.11676	10.0
149.13251	8.4
151.11189	1.4
151.14812	7.2
153.12737	0.9
155.14317	2.6
161.13257	11.4
161.14459	1.2
163.14810	8.0
165.12761	1.2
165.16393	9.4
175.14822	8.9
177.16379	2.0
179.17966	4.4
181.15916	1.1
189.16353	4.2
217.19530	1.8
245.22652	39.2
263.14679	3.1
263.23700	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	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03943	7.5
55.01877	2.4
55.05518	23.9
56.96570	11.2
57.03435	2.2
57.07075	2.3
65.03956	2.3
67.05175	2.2
67.05510	36.1
69.03429	2.4
69.07078	15.2
69.07425	2.4
69.69207	8.8
70.58360	1.4
71.04961	2.7
72.95496	1.5
74.71999	1.3
77.03910	1.6
79.05498	87.0
81.03416	3.3
81.07062	39.3
82.07378	1.7
83.04991	3.2
83.08625	11.9
85.06543	2.1
91.05482	31.0
93.07050	100.0
95.04969	5.3
95.08611	30.0
95.29635	1.5
97.02917	1.7
97.06544	3.3
97.10169	5.1
98.97601	1.9
104.99277	40.0
105.04517	1.5
105.07037	27.1
107.04951	4.2
107.08598	69.3
109.06525	6.6
109.10155	15.2
111.78184	1.4
117.07026	5.2
119.01919	1.8
119.08584	15.0
121.06502	3.2
121.10152	66.7
123.08058	2.4
123.11706	4.3
129.03444	1.4
129.06999	3.3
131.00175	4.7
131.08574	5.8
133.06483	1.9
133.10115	14.1
135.08080	3.4
135.11708	33.2
137.09680	1.4
143.08604	3.5
145.10132	5.1
147.03098	2.0
147.08038	1.6
147.11674	8.3
149.01221	7.6
149.09641	3.7
149.13293	10.3
156.03607	3.3
157.10130	3.8
159.11681	3.6
161.09682	1.8
161.13248	5.1
163.11183	3.3
163.14865	2.1
167.54514	2.2
171.11726	4.7
173.13264	3.7
175.11261	1.8
177.12741	1.9
181.12209	2.2
182.09567	2.5
184.14471	1.4
185.13278	4.7
189.05528	3.9
189.16431	1.9
193.12242	2.3
198.99089	1.9
199.06505	1.9
203.14325	1.4
207.13850	4.0
217.07417	3.1
217.15936	1.6
221.15402	1.9
227.17992	3.8
235.83176	1.7
245.19093	5.6
263.09509	2.4
263.12399	20.9
263.16574	7.4
263.20105	83.0
263.22879	4.9
267.09119	1.8
281.10641	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	263.1393
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.05522	0.4
56.96587	2.1
56.96818	0.5
60.04544	0.4
60.08164	0.5
61.02927	0.5
61.87474	0.4
67.05498	0.8
69.03429	1.0
69.07066	0.5
69.59047	2.5
70.06596	29.5
71.04994	0.4
72.08148	0.9
77.03919	0.5
79.05510	0.6
81.07041	0.7
82.02948	0.7
83.04990	0.6
84.08137	0.4
85.02915	1.4
86.09702	1.2
91.05499	1.9
93.07047	1.8
94.06570	1.5
95.04974	1.6
95.08604	1.4
97.02873	0.6
97.06543	0.5
98.21535	0.7
98.97586	6.9
99.04478	0.4
101.86861	0.4
103.05468	6.7
105.07037	1.2
107.08572	0.8
109.10146	0.5
110.97591	0.9
113.09606	0.6
113.16023	0.4
115.05486	0.5
116.07098	82.1
116.98650	2.1
119.01915	0.6
119.04966	1.1
119.08563	0.8
120.08110	100.0
121.06521	0.4
123.08057	0.5
124.99111	0.5
130.06532	26.6
131.04962	0.5
131.07008	0.4
131.08507	0.6
132.03458	0.7
132.04451	9.9
133.10089	0.4
135.08029	0.5
136.07591	1.1
143.00153	0.5
145.10109	0.6
147.04439	3.1
147.09206	1.5
147.11711	0.7
148.04787	1.0
157.07619	64.6
158.06023	28.4
158.07954	0.7
158.99643	1.8
159.03191	0.4
175.08679	35.5
176.07135	0.6
177.00696	1.0
189.05457	1.2
199.08641	1.6
203.08192	13.4
204.06552	0.7
213.07793	0.7
217.07797	0.4
217.09763	5.9
219.01703	1.0
221.09227	15.5
221.11377	0.9
222.08263	3.8
222.53517	0.4
222.58409	0.4
231.08852	1.4
237.02943	0.6
245.06870	0.6
245.09239	7.1
250.05904	0.6
263.06259	0.7
263.10220	3.9
263.13879	21.4
264.16470	0.4
270.55295	0.4
281.10651	0.5
281.14990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1028
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
55.05524	0.6
56.05030	0.6
60.08155	1.1
61.02918	0.5
67.05501	0.8
69.03410	0.9
69.07042	0.6
70.06596	19.2
70.55211	0.5
72.08155	1.0
73.02901	0.5
77.03990	0.8
79.05479	1.0
81.07042	0.9
82.02948	0.7
84.08159	0.8
85.02919	0.8
86.09706	1.2
91.05474	1.5
93.07081	1.3
94.06590	2.7
95.08602	1.2
97.02892	0.8
98.97575	2.3
103.05476	5.0
105.07034	0.7
107.04939	0.5
114.05524	0.7
115.05478	1.5
116.07097	54.2
116.98650	0.5
120.08110	67.3
130.06529	41.5
130.07965	0.7
130.37994	0.6
132.04456	16.9
133.06467	0.5
143.01920	0.5
143.04927	3.6
146.05988	0.5
152.38956	0.5
154.61853	0.5
157.07620	100.0
158.06020	44.0
160.05217	0.6
161.05980	1.7
163.07487	0.5
171.03226	0.6
171.04440	2.0
175.08694	58.5
176.07030	0.6
179.07025	0.6
185.07040	0.6
186.05533	1.8
189.05507	2.0
199.08699	2.4
203.08327	20.5
204.06609	2.3
217.09727	10.2
221.09221	23.8
222.08282	0.9
224.76012	0.4
245.06873	1.0
245.09248	13.3
245.11760	0.6
263.10101	6.9
263.13913	16.7
263.16486	0.7
265.83731	0.5
280.01666	0.5
281.32498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06889	19.3
78.37115	10.0
92.20454	12.4
101.00865	10.9
114.38950	9.1
119.01914	11.2
143.01891	26.7
160.31305	10.1
161.02937	28.9
170.79291	9.2
171.66846	9.4
173.02975	12.2
203.04041	14.0
237.89874	11.3
263.01730	100.0
263.06100	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.1
58.99862	1.2
61.02900	0.8
69.03422	0.8
70.10223	0.8
70.10606	0.8
70.98100	1.3
70.99847	1.7
72.96024	0.7
73.02885	0.6
74.31168	0.7
77.00909	1.2
81.03421	0.6
82.99823	4.9
84.08144	0.7
85.02884	1.5
85.75426	0.5
86.99320	0.6
89.00903	2.8
93.16679	0.5
94.99818	0.9
97.02877	1.6
98.97585	7.2
101.00883	37.2
102.96865	1.0
109.02865	0.9
110.97541	0.7
113.00883	7.1
115.02418	2.3
116.98624	1.8
117.00353	0.6
119.01923	29.1
124.95452	1.2
127.02421	2.1
127.03924	0.6
131.00188	0.8
131.01909	11.5
133.03461	1.2
137.02899	1.5
139.02435	4.1
139.99443	0.5
141.00336	0.9
143.01900	58.6
145.03471	5.3
149.02945	1.0
154.03836	2.2
155.01913	8.3
157.03473	10.3
158.99641	1.1
159.01338	1.6
160.06564	1.7
161.02957	83.0
163.04561	1.1
167.01909	1.8
169.03442	0.9
169.07018	0.6
170.96025	1.6
172.97588	1.4
173.01398	0.9
173.02957	18.5
175.04503	2.4
179.00671	0.6
179.04060	1.6
180.56274	0.6
184.04538	1.8
184.97505	0.6
185.02962	9.1
187.04500	1.3
188.97079	1.8
189.00656	0.6
190.98637	1.4
191.03996	9.7
197.02936	0.8
202.98672	1.2
203.04010	33.3
214.98697	1.1
220.99486	0.7
221.01665	0.9
221.03186	0.9
221.05075	11.3
221.13583	0.6
230.98085	0.9
232.99622	0.7
233.05124	1.2
239.06136	6.2
245.05090	0.8
263.06128	100.0
281.01910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
56.45542	0.2
57.07068	0.6
69.83878	0.4
69.84288	0.8
70.06590	1.6
71.08624	0.4
87.04471	28.8
88.07639	1.9
114.09166	0.8
118.06546	9.5
119.07334	0.3
119.08670	0.2
130.06453	0.3
130.08517	0.2
132.08095	2.8
132.09099	0.3
132.09276	0.4
132.10204	3.3
133.08881	2.1
134.09644	0.9
146.09650	2.9
146.31117	0.2
147.10368	0.4
150.11267	2.7
176.14351	61.5
186.18642	0.3
218.11656	0.4
218.21149	0.9
262.18027	100.0
262.23770	15.6
263.18588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03613	4.8
69.84154	25.8
82.99828	6.9
91.56592	5.0
98.21502	7.2
101.00867	36.4
107.42072	4.7
108.98567	5.1
109.54243	5.1
111.62595	5.3
113.00832	15.1
119.01891	21.6
131.01880	15.1
143.01909	81.1
155.01854	15.5
157.03461	8.9
161.02950	100.0
167.01872	5.1
173.02989	30.1
185.02977	11.2
191.03972	14.5
196.04518	6.0
203.04024	30.7
221.04892	7.3
239.05943	7.5
252.76442	5.5
263.01694	83.2
263.06076	80.8
263.08817	10.8
279.66418	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05502	10.7
61.84457	3.4
67.05238	3.5
67.05505	37.2
69.07056	13.5
69.67629	17.3
69.68037	5.8
73.32984	3.8
79.05502	38.7
81.07063	38.9
83.04984	6.4
91.05500	31.1
93.07050	53.5
95.08632	29.9
97.06509	5.3
98.21481	7.9
105.07014	16.1
107.08598	30.1
107.43654	3.7
109.10134	17.1
113.63000	4.2
117.06999	8.2
119.08602	17.6
120.83569	3.4
121.10132	27.5
123.11709	5.8
131.08568	23.0
133.10114	17.1
135.11711	22.7
145.10060	20.3
147.11693	9.4
149.13231	10.4
151.11128	4.8
159.11673	13.6
161.13251	11.9
163.14801	14.8
173.13335	11.2
175.14821	5.2
177.16331	7.8
187.14842	11.3
201.16382	5.4
205.52010	4.0
243.21104	46.0
260.83850	3.9
261.13095	31.1
261.22113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.19622	0.3
58.96185	0.2
69.03434	0.3
69.27258	1.9
69.27664	0.5
71.08638	0.3
81.71663	0.2
82.52260	0.2
87.04475	25.0
88.07632	0.3
98.21436	0.6
98.97560	0.3
118.06554	9.0
119.07357	0.4
132.08087	1.9
132.10233	0.4
133.08881	1.4
133.09967	0.3
134.09679	0.5
135.73022	0.3
146.09641	2.7
147.10446	0.3
150.11220	0.2
161.12090	0.3
176.14357	64.4
262.18033	100.0
263.18362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	0.8
55.05515	9.0
56.82891	0.3
57.03439	1.0
57.07079	2.7
57.18385	0.4
65.03962	0.9
65.91708	0.4
67.05507	30.0
69.03425	0.6
69.07073	9.3
70.14635	0.9
70.15047	1.3
71.04975	1.8
71.08625	1.0
79.05495	41.0
81.07059	35.1
83.04984	0.8
83.08620	5.3
85.06533	2.1
85.10204	0.4
91.05484	18.9
93.07048	51.8
95.04984	2.2
95.08611	26.7
96.71626	0.4
97.06531	2.6
97.10182	2.0
97.10694	0.4
99.08086	2.4
105.04493	0.9
105.07035	12.4
107.04967	0.4
107.08598	32.7
109.06517	1.5
109.10158	12.6
111.08073	2.8
113.09663	0.9
113.59147	0.5
117.07018	5.2
119.06077	0.5
119.08591	11.3
121.10152	34.3
123.08090	1.5
123.11713	3.6
125.09632	1.3
131.07597	0.6
131.08577	10.4
133.10135	10.1
135.08076	0.8
135.11699	25.1
137.09604	1.8
137.13329	0.9
139.11192	0.6
145.10130	10.6
147.11693	8.2
149.09645	0.4
149.13266	18.9
151.11227	0.6
151.14894	0.8
153.12766	0.5
155.27470	0.4
159.11710	7.1
161.13258	9.6
163.11147	0.8
163.14830	15.8
165.12772	1.1
171.11690	0.5
173.13269	7.8
175.14816	3.5
177.12592	0.4
177.16408	4.2
179.14252	1.1
187.14835	6.3
189.16342	1.1
193.15941	0.4
201.16345	2.4
205.15840	0.6
215.17961	1.5
217.19521	0.7
219.17465	1.1
233.22615	1.2
243.21097	27.1
261.22144	100.0
262.22467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02389	0.6
53.03940	1.6
55.01873	0.6
55.05511	9.7
57.03433	1.2
57.07079	3.4
58.34839	0.3
65.03931	1.2
67.05505	31.5
69.03433	0.4
69.07069	9.2
70.84781	0.5
71.04995	2.1
71.08631	1.0
77.03925	1.2
79.05493	43.7
81.03403	0.6
81.07056	37.1
83.04972	0.8
83.08617	5.8
85.06544	3.1
89.10196	0.4
91.05479	20.9
93.07043	56.7
95.04979	2.8
95.08605	27.3
97.06543	2.3
97.10167	2.6
99.08097	2.5
103.05445	0.4
105.04503	0.9
105.07031	15.2
107.04971	0.4
107.08595	37.3
109.06520	1.4
109.10158	10.8
111.08071	2.6
111.11692	0.6
113.09650	1.3
117.07018	4.6
119.06083	0.4
119.08585	12.5
121.10145	34.6
123.08070	1.5
123.11707	3.7
125.09625	1.1
126.42989	0.3
127.11147	0.4
130.07713	0.5
131.08572	11.7
133.10133	10.1
135.08095	0.8
135.11691	26.4
137.09628	1.5
137.13266	1.3
139.11185	0.5
145.10118	11.3
147.11681	9.1
147.12790	0.7
149.09662	0.6
149.13261	22.7
151.14798	0.7
153.12741	0.9
159.11691	8.2
161.13246	8.6
163.11151	0.6
163.14819	16.5
163.91904	0.3
165.12726	0.9
173.13263	8.2
175.14847	3.3
177.12798	0.5
177.16386	4.4
179.14339	1.5
187.14812	6.1
189.16382	0.7
191.14450	0.5
201.16318	2.7
205.15883	1.0
215.17950	1.5
217.19547	0.3
219.17409	0.7
233.22629	1.0
239.34563	0.3
243.21085	25.9
261.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03946	1.7
55.05518	8.4
57.07061	4.8
64.96722	1.3
65.03909	1.2
67.05508	26.8
68.38957	1.1
69.07076	11.2
70.84231	1.0
71.04953	1.4
71.08634	2.1
71.57961	1.5
79.05495	31.1
81.07056	35.2
83.04964	1.5
83.08635	6.0
84.10117	1.2
85.06535	3.1
85.10148	1.2
91.05485	22.0
93.07047	49.1
95.04953	2.8
95.08607	21.7
97.06558	5.7
97.10189	1.6
98.97544	1.4
99.08096	2.3
105.07041	15.4
106.40015	1.3
107.08602	29.1
109.06513	2.8
109.10157	10.3
111.08097	3.5
113.09613	1.7
115.63080	1.1
117.07036	7.4
119.08585	12.0
121.09317	2.0
121.10149	28.3
123.08057	1.7
123.11696	3.1
131.08575	19.4
133.10124	11.4
135.08078	2.2
135.11694	21.1
137.09567	2.8
137.13228	2.6
145.10135	18.8
147.11693	11.0
149.09647	1.6
149.13272	13.6
149.16650	1.0
151.14832	1.2
153.12755	1.2
159.11728	10.8
161.13286	11.2
163.11128	1.6
163.14822	10.3
165.12729	1.2
173.13277	12.6
175.14824	4.3
177.16405	5.4
179.14320	1.3
187.13297	1.0
187.14819	7.6
189.16389	1.6
201.16409	3.9
203.17949	1.6
215.17978	2.5
217.19545	4.4
233.22618	2.9
243.21107	49.6
261.13022	4.1
261.22144	100.0
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	Dinortrixagone
Peak:m/z	Relative Intensity
51.02379	0.4
51.57707	0.3
53.03942	2.2
55.01858	0.5
55.05511	9.3
57.03435	1.4
57.07076	2.8
61.27135	0.4
65.03938	1.4
67.05506	31.2
69.07066	8.9
69.34585	2.4
69.34990	0.7
71.04996	1.5
71.08631	1.2
76.82398	0.3
77.03933	0.8
79.05494	43.0
81.07059	35.3
81.07436	0.4
81.07593	0.4
83.04971	0.5
83.08620	6.4
85.06542	2.8
90.48927	0.3
91.05482	21.4
93.07046	57.2
95.04961	2.6
95.08609	27.6
95.28077	0.3
97.06531	3.4
97.10147	2.2
99.08101	3.0
105.04523	1.1
105.07034	14.0
107.04969	0.5
107.08597	39.2
109.06512	1.3
109.10161	11.3
111.08094	2.4
111.11744	0.4
113.09650	1.0
116.79600	0.3
117.07015	5.1
118.06553	0.4
119.06106	0.4
119.08588	12.3
121.10143	33.8
123.08077	1.1
123.11713	4.1
125.09615	0.6
131.08572	11.4
133.10133	11.7
135.08070	0.6
135.11699	26.9
137.09624	1.4
137.13269	1.3
139.11185	0.7
143.08586	0.4
145.10127	12.7
147.11693	8.6
149.09625	0.7
149.13264	21.7
151.11162	1.0
151.14848	0.6
153.12770	0.9
159.11700	8.3
161.13251	10.5
163.11212	0.4
163.14819	18.2
165.12755	1.3
169.99138	0.3
173.13271	8.0
175.14844	4.0
177.12807	0.6
177.16367	4.5
179.14313	1.4
187.14810	5.7
189.16377	0.7
193.15881	0.6
201.16391	2.2
205.15823	0.7
215.17952	1.1
219.17430	0.9
233.22644	1.5
243.18529	0.7
243.21092	28.1
261.22144	100.0
262.22372	0.5
279.32721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	1.9
55.05266	0.7
55.05514	10.6
57.03432	0.6
57.07088	2.7
57.07301	0.6
66.40295	0.5
67.05508	28.8
69.07073	9.3
70.01532	2.8
71.04987	1.9
71.08633	0.9
72.21381	0.6
79.05499	39.5
81.07062	35.9
83.04983	1.0
83.08615	5.5
85.06558	2.8
91.05486	19.5
93.07050	52.7
95.04952	1.8
95.08614	26.5
95.09134	0.5
95.09235	1.0
97.06521	2.2
97.10162	2.2
99.08106	3.0
105.04560	0.6
105.07036	14.2
107.08602	36.2
109.06504	1.0
109.10163	11.6
111.08054	2.5
111.11710	0.9
113.09629	0.8
117.07024	5.6
119.08586	11.8
121.10154	32.8
123.08089	0.9
123.11720	2.5
125.09624	0.9
131.08569	11.2
133.10139	9.9
135.11696	29.6
137.09642	2.0
137.13272	1.6
143.08586	0.6
145.10132	11.8
147.11688	9.6
149.09660	0.7
149.13266	20.7
151.11163	1.1
151.14822	0.7
153.12747	0.7
159.11688	8.0
161.13261	9.4
163.14827	18.5
165.12723	1.1
173.13266	8.2
175.14861	3.8
177.16428	5.4
179.14287	1.0
187.14807	5.6
189.16429	0.7
201.16365	2.3
215.17966	1.5
217.19412	0.7
233.22781	0.7
243.21089	28.6
261.22156	100.0
266.79333	0.6
276.67282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01860	0.6
55.05510	9.1
57.03429	1.0
57.07074	2.8
65.03938	1.2
67.05505	25.8
69.07068	8.0
71.04980	1.8
71.08631	1.2
77.03922	0.9
79.05491	38.5
81.07055	33.3
83.04979	1.0
83.08620	4.6
85.06541	2.1
85.10206	0.5
91.05482	17.7
93.07043	51.9
95.04971	2.4
95.08606	24.9
97.06525	2.6
97.10170	1.8
98.21516	0.7
99.08092	2.4
105.04496	0.6
105.07030	12.6
107.08595	34.2
109.06520	1.4
109.10160	11.2
109.10931	0.6
111.08096	2.5
111.11712	0.7
113.09641	1.1
117.07008	4.8
119.08578	10.8
121.10143	30.8
123.08054	0.8
123.11709	3.8
125.09617	1.1
127.11203	0.4
131.08566	11.1
133.10130	10.1
133.11092	0.7
135.08066	0.4
135.11688	25.5
137.09599	1.3
137.13239	1.3
139.11205	0.6
145.10120	10.7
147.11693	8.7
149.09598	0.5
149.13258	21.1
151.11203	1.2
151.14876	0.8
153.12709	0.7
159.11693	8.5
161.13243	9.6
162.59651	0.4
163.11212	0.5
163.14819	17.4
165.12755	1.1
173.13260	7.5
175.14839	3.5
177.16394	4.7
179.14333	1.4
187.14830	4.7
189.16411	1.0
191.14365	0.5
193.15857	0.4
201.16391	2.6
203.17920	0.4
205.15971	0.8
215.17937	1.5
217.19559	0.4
219.17467	0.4
232.54971	0.3
233.22652	1.4
243.21078	29.3
246.64659	0.3
261.22134	100.0
262.22455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01874	2.0
55.05510	9.1
56.96557	6.5
57.03430	2.6
57.07053	2.7
67.05516	11.6
69.03441	2.9
69.07059	7.2
69.66937	11.4
70.06589	2.6
71.05010	2.2
79.05497	8.6
81.03421	38.7
81.07059	14.6
83.04984	12.2
83.08624	16.7
85.02888	5.1
88.07640	4.4
91.05498	11.6
93.07037	5.9
95.04962	14.0
95.08607	5.6
97.02875	2.3
97.06548	3.8
97.10152	3.8
97.33984	1.6
98.20677	1.9
105.07021	9.1
106.07357	2.3
106.08629	2.7
107.04956	3.6
107.08590	4.2
109.06537	1.8
111.08104	10.4
119.08610	8.7
121.10141	4.8
123.07981	2.2
129.07019	5.5
131.08551	6.0
133.10114	7.7
134.10432	2.5
136.92194	3.9
142.07762	1.8
147.08095	1.7
147.11742	10.8
148.07591	4.2
149.09679	2.5
154.93236	5.3
157.10156	8.7
160.12065	1.9
172.94264	8.0
173.16209	1.4
175.11223	13.6
176.21887	1.5
190.95309	3.5
193.12267	55.1
195.95897	7.2
211.13307	100.0
213.97052	3.5
225.14871	46.0
242.11234	4.0
242.19911	2.1
243.15918	2.6
252.43759	1.6
260.21066	10.2
260.25848	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	261.0308
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
52.89153	0.2
56.03550	0.1
56.96568	0.9
68.13229	0.2
68.52234	0.1
70.01871	0.6
71.95291	0.1
73.09718	0.1
80.02046	0.1
82.99860	0.6
84.96030	0.2
98.96938	0.3
98.97587	6.2
100.97157	0.2
100.97968	0.2
101.00883	4.4
102.96876	0.2
110.97547	0.3
112.99129	0.3
116.98635	2.2
119.01926	5.1
120.02008	0.3
122.97794	0.2
124.46300	0.1
128.98572	0.2
134.99751	0.6
137.02936	0.5
140.00249	0.1
140.98793	1.1
142.03528	0.2
143.00146	0.2
158.99855	2.9
165.99707	0.3
173.01215	0.2
175.03030	0.3
177.00960	11.2
178.23508	0.2
182.99843	1.1
189.00714	0.3
191.02332	0.2
193.04063	0.1
199.02997	0.3
201.00937	3.4
217.04100	2.2
219.02013	18.1
221.02080	0.1
225.00876	2.5
225.02751	0.2
227.99553	0.2
234.00693	0.2
237.98767	2.1
238.98346	0.2
242.03673	0.2
243.02014	13.5
244.02171	0.3
261.03067	100.0
262.03284	1.0
263.03299	0.3
278.97217	0.3
279.00604	2.4
284.04730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05039	7.8
56.96560	3.3
57.03417	1.1
58.72597	1.1
60.04535	9.0
61.02921	1.4
67.05490	2.3
68.05024	1.3
69.03432	1.9
69.07055	3.9
70.06589	2.0
70.07138	4.0
71.05003	1.9
72.08133	3.0
79.05480	1.9
80.05013	3.3
81.02840	1.1
81.07037	2.1
82.06553	1.6
83.06112	56.0
84.04512	72.2
84.08150	31.8
85.02885	3.0
86.09712	100.0
87.04465	1.3
91.05464	1.9
93.07011	2.0
94.06542	1.2
95.04975	1.8
97.02868	1.2
97.06532	1.2
98.06029	1.9
98.97610	7.6
101.07148	7.3
107.55365	0.9
110.06020	1.1
116.98594	2.4
119.04949	1.2
120.08077	1.5
121.06538	1.0
129.06599	3.3
129.10228	6.9
130.08612	3.5
132.06563	1.1
132.08058	1.1
132.10219	32.6
138.09146	1.1
141.06548	2.2
143.11812	4.7
147.07645	2.0
147.11247	5.0
152.10680	1.4
157.13409	8.4
160.11148	1.4
171.11241	3.8
171.89479	1.1
177.00684	1.8
185.12828	4.0
188.10648	1.9
196.14510	8.4
197.12880	28.1
206.11746	3.8
209.05760	1.1
224.12756	1.7
225.12314	3.7
237.02815	2.2
242.15048	69.9
243.13449	37.0
243.17094	2.3
255.03752	2.1
260.04556	1.4
260.14911	47.0
260.19403	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.30506	0.8
51.96819	0.8
53.03949	1.0
55.05511	7.7
57.07067	2.6
67.05508	11.8
69.07070	8.0
70.82841	1.1
70.83186	2.1
71.04995	1.4
79.05492	13.4
81.07070	13.0
83.08608	3.7
83.95639	0.8
85.06575	1.0
91.05488	28.3
93.07049	12.0
95.04947	1.4
95.08606	9.6
97.06519	1.6
97.10172	1.5
99.08089	1.5
103.05486	2.3
105.03392	1.0
105.07037	63.1
107.08607	7.2
109.10155	2.9
111.08086	1.3
115.05463	1.7
116.06210	1.2
117.06224	1.6
117.07028	31.0
119.08588	33.5
121.10136	5.6
128.06200	3.9
129.07030	12.5
131.08583	30.7
133.09116	1.6
133.10138	32.3
135.08080	1.5
135.11726	5.0
141.06967	1.3
142.07799	2.6
143.08568	17.0
145.10136	29.0
147.11707	23.8
149.09578	1.9
149.13263	1.8
156.09389	1.3
157.10164	11.8
159.11710	41.0
161.13258	17.9
163.11186	1.1
171.11705	16.7
173.13281	25.2
175.14847	6.0
177.12808	1.1
185.13283	19.5
187.14812	2.3
199.14856	13.3
201.16383	0.9
213.16460	3.3
215.17943	1.9
231.21103	2.2
241.19530	28.7
254.17210	1.2
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05313	0.9
55.05511	10.8
57.07058	2.5
59.75676	0.9
60.25496	0.9
67.05503	13.7
69.07067	7.2
69.39169	0.8
71.57410	1.5
77.03883	1.3
79.05497	12.7
81.07059	13.6
83.04984	1.0
83.08635	5.3
85.06561	2.5
91.05482	30.6
93.07051	12.9
95.04942	1.5
95.08619	11.3
97.06518	3.2
97.10150	2.0
99.08077	2.7
105.03384	4.2
105.07034	72.8
107.08605	7.4
109.10150	3.4
115.05462	2.9
117.07022	51.4
119.08586	45.3
119.09471	1.6
121.10160	5.9
124.37024	1.0
125.09624	1.6
128.06226	4.5
129.01839	1.6
129.07002	20.3
130.07794	2.1
131.08577	46.7
133.10138	44.5
135.08089	1.0
135.11688	4.2
140.46567	1.0
141.06995	1.5
142.07741	3.0
143.07504	1.2
143.08574	22.5
145.10124	46.1
146.78333	0.9
147.11691	23.7
149.13275	1.4
155.08597	1.0
156.09360	1.0
157.10146	17.0
159.11697	84.3
161.11166	1.0
161.13251	14.1
171.11693	21.2
173.13271	48.5
175.14825	6.1
177.12746	1.4
181.06470	1.4
185.11609	1.6
185.13254	29.2
187.14825	2.6
189.12703	1.5
199.14842	21.0
213.16414	3.8
215.17967	2.0
220.94940	1.0
231.21019	1.6
241.19528	30.8
241.22037	1.5
259.11185	2.8
259.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03952	0.8
55.01876	0.9
55.05515	6.1
56.96570	0.2
57.03447	1.2
57.07082	1.7
60.23441	0.2
62.44945	0.2
65.03943	0.5
67.05511	13.0
69.07075	5.7
70.63705	0.2
71.04999	1.2
71.08658	0.5
71.57034	0.3
71.57397	0.2
73.35498	0.2
77.03939	0.4
79.05499	11.5
81.03400	0.3
81.07063	13.6
83.04987	0.6
83.08624	2.2
85.06542	1.5
91.05488	25.9
93.07055	12.6
95.04984	1.0
95.08610	10.0
97.06543	3.7
97.10148	1.0
98.97591	0.3
99.08087	1.4
103.05460	1.0
105.07040	38.5
107.04973	0.5
107.08601	7.1
109.06532	0.7
109.10159	3.1
111.08096	0.8
115.05496	0.6
116.06210	0.3
117.07027	10.0
118.07806	0.4
119.08591	31.0
121.06521	0.5
121.10156	4.6
123.08060	0.6
123.11716	0.9
125.09649	0.5
128.06219	1.2
129.07014	5.4
130.07803	0.7
131.08577	12.4
132.09348	0.5
133.03539	0.4
133.10139	24.2
135.08057	0.8
135.11699	3.1
137.09677	0.5
141.07028	0.5
142.07784	0.5
143.08563	5.7
144.09311	0.3
145.10132	12.4
146.10867	0.5
147.04391	0.3
147.08055	1.1
147.11702	19.9
149.09642	1.0
149.13266	2.2
151.11179	0.7
156.09338	0.2
157.10149	6.7
159.11707	11.3
160.07712	0.2
160.12515	0.2
161.02417	0.2
161.09700	1.0
161.13271	14.3
163.03917	0.9
163.11189	0.9
163.14838	0.9
165.12833	0.4
168.15279	0.2
169.10150	0.4
170.10867	0.4
171.11711	8.4
173.02425	0.8
173.13268	6.2
175.11234	0.9
175.14848	7.7
177.12773	1.0
183.11682	0.4
184.12495	0.3
185.13280	7.6
187.14839	1.3
189.12801	1.2
189.16406	0.5
191.14352	0.3
193.15796	0.3
199.14836	3.7
201.16432	0.8
203.14336	0.6
203.18007	0.3
213.16360	1.1
215.07036	0.7
215.17920	1.2
217.15938	0.6
217.19572	0.5
231.17413	0.7
231.21063	2.1
238.53030	0.2
241.16896	0.3
241.19528	16.0
259.20590	100.0
260.21024	0.3
276.97318	0.2
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
55.05497	10.5
57.07058	3.5
58.23702	1.5
65.03928	1.8
66.61015	1.7
67.05508	9.9
69.03424	2.0
69.06729	2.6
69.07070	35.4
69.50437	7.7
69.50845	4.0
71.04999	28.6
79.05473	6.0
81.07059	15.8
83.04976	6.5
83.08601	8.0
85.06545	24.2
91.05494	9.1
93.07046	18.5
95.04937	3.6
95.08601	17.7
97.06519	5.5
98.21466	3.5
99.08089	2.0
105.07041	25.6
107.08589	21.0
109.06536	12.2
109.10155	11.9
111.08070	18.4
117.07014	6.6
119.08579	57.3
121.10143	12.6
123.08023	1.9
123.11699	21.1
130.07797	1.6
131.08554	13.1
131.30202	1.9
133.10132	33.2
135.08063	22.0
135.11710	8.5
137.09642	4.4
137.13252	1.8
140.13948	1.7
142.07785	2.3
143.08588	10.1
143.22293	1.8
144.09328	3.3
145.10115	35.2
147.11682	21.5
149.09712	1.7
149.13231	2.7
151.11186	1.8
156.09343	1.9
157.10187	11.9
159.11688	32.2
160.12466	3.5
161.09703	2.4
161.13258	39.6
163.11139	3.4
163.14763	1.8
170.10959	2.0
171.11700	19.3
173.13261	9.3
175.11301	4.3
175.14835	100.0
176.15556	5.8
177.12770	4.6
177.16425	5.0
185.13255	14.3
189.12700	3.9
189.16434	5.0
190.13524	3.7
191.14235	2.6
199.14848	5.5
201.16396	28.1
203.14345	9.7
215.17955	6.3
217.19553	4.8
229.15887	2.3
241.19553	17.5
259.20587	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97581	0.8
51.89962	0.9
52.88816	0.9
55.05265	1.1
55.05509	11.4
57.03441	6.9
57.07061	3.9
57.54908	1.1
58.33361	0.9
59.04972	1.1
65.03930	1.1
67.05502	13.0
69.07070	8.8
69.45169	7.6
71.04992	1.1
71.08619	2.7
79.05490	11.3
81.07061	15.4
83.04993	1.1
83.08624	6.7
85.06529	1.9
91.05482	30.4
93.07046	11.4
95.04972	1.0
95.08608	15.8
97.06521	3.1
97.10159	3.6
99.08097	3.6
100.04704	0.9
103.05458	1.7
103.09520	0.9
104.37066	0.9
105.03380	4.1
105.07033	60.6
107.04970	1.4
107.08606	6.2
109.06515	2.2
109.10181	4.9
115.05457	2.6
117.07019	43.6
117.29322	1.0
119.08581	35.8
121.06490	2.9
121.10143	7.5
123.08040	1.2
125.09653	2.8
125.31487	1.1
128.06195	4.8
129.01794	1.3
129.07016	17.4
130.07765	2.1
131.08571	48.3
133.06502	6.8
133.10136	47.8
135.08026	1.8
135.11703	3.6
142.07753	3.1
143.08574	17.0
144.09386	1.6
145.10126	33.9
145.11282	1.6
147.08063	2.9
147.10510	1.7
147.11691	29.6
149.09599	2.6
149.13257	1.7
150.22050	0.9
151.11143	1.0
155.08531	1.2
157.10121	14.6
159.11700	60.1
161.13271	13.4
163.11166	3.0
169.10245	1.2
171.11708	21.2
173.13271	39.3
175.11333	1.1
175.14850	6.1
177.12827	1.8
183.11549	1.1
185.13235	22.8
187.14835	25.3
189.12744	17.1
199.11304	0.9
199.14810	14.9
201.16406	1.8
207.04424	0.9
213.16402	3.4
241.19533	35.4
259.11340	2.0
259.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35416	2.3
55.05498	8.7
55.36274	2.5
56.84866	2.4
57.07065	6.2
67.05488	10.7
69.07069	36.6
71.04991	33.5
71.58095	3.5
79.05489	10.3
81.07059	21.3
83.04977	8.3
83.08595	7.6
83.97404	2.4
85.06090	2.9
85.06555	28.1
91.05495	12.2
91.64953	2.6
93.07038	16.6
95.04959	6.7
95.08604	19.9
96.23367	2.2
97.06519	4.5
103.29656	2.5
105.03402	4.5
105.07027	30.4
107.08596	23.3
109.06518	9.0
109.10155	14.6
111.08071	19.1
111.11681	2.6
111.66981	2.2
114.23200	2.3
117.07032	10.2
119.08591	64.7
121.06522	2.3
121.10131	15.3
123.11713	29.0
129.01831	5.5
130.07826	3.2
131.08569	14.2
133.10139	42.5
135.08058	17.8
135.11711	5.3
137.09589	6.9
142.07777	4.6
143.08563	7.5
144.09344	4.5
145.10123	33.2
147.11671	20.6
149.09642	5.0
156.09280	3.7
157.10109	12.2
159.11708	29.0
160.12459	4.5
161.13258	39.8
163.11136	2.9
171.11722	19.1
173.13283	11.0
175.11198	7.3
175.14836	100.0
176.15585	7.9
177.12827	4.4
177.16414	5.2
181.06416	2.6
185.13283	15.8
187.14764	3.2
189.12798	4.4
189.16406	7.5
191.14281	3.0
199.14728	2.7
201.16374	24.9
203.14331	8.8
215.18001	6.6
217.19531	5.4
241.19574	17.4
259.11557	4.4
259.20584	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.0
69.33041	5.9
69.33453	2.6
72.08139	1.1
81.04543	1.3
95.06095	1.3
97.02903	1.5
127.03875	1.3
143.08180	1.4
241.15468	1.9
259.04272	100.0
259.16595	4.1
275.70206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26673	1.4
70.72607	1.7
70.72958	2.5
85.28407	1.2
86.11776	1.0
96.43265	1.1
106.74711	1.1
117.23458	1.4
143.08183	1.9
188.46622	1.2
197.53444	1.1
259.04276	100.0
259.16565	4.2
260.65039	1.2
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
51.02373	0.3
53.03953	0.7
55.01874	0.9
55.05513	6.6
56.14005	0.3
56.96562	0.4
57.03433	1.1
57.07071	1.4
59.04997	0.2
65.03951	0.7
67.05508	14.7
69.03413	0.3
69.06720	0.4
69.07071	6.2
70.51934	0.4
70.52267	0.3
71.04991	1.0
71.08637	0.4
77.03932	0.4
79.05496	12.4
81.07059	13.5
83.04990	0.6
83.08627	2.1
85.06553	1.0
91.05483	26.9
93.07043	12.1
95.04977	1.2
95.08611	10.7
97.06526	5.0
97.10172	1.2
99.08083	1.3
103.05465	1.1
104.06371	0.3
105.07034	39.2
107.04957	0.5
107.08593	7.0
109.06531	0.8
109.10162	4.1
111.08093	0.7
113.09675	0.5
115.05487	0.6
116.06264	0.3
117.07027	9.8
117.07856	0.5
118.07819	0.5
119.08585	31.3
121.06539	0.4
121.10154	5.2
123.08053	0.6
123.11670	1.1
125.09595	0.5
128.06226	1.0
129.07005	4.9
130.07780	0.6
131.08572	14.0
132.09337	0.6
133.10133	26.3
135.04428	0.3
135.08061	0.9
135.11693	3.3
137.09657	0.7
137.13242	0.3
139.11226	0.3
142.07790	0.4
143.07469	0.5
143.08565	6.4
144.09390	0.4
145.10124	13.0
147.08043	0.6
147.11688	21.1
149.09615	0.8
149.13251	2.2
151.11174	1.2
157.10129	5.4
159.11702	11.0
160.12436	0.4
161.02423	0.6
161.09590	0.8
161.13266	12.5
163.03909	1.8
163.11191	1.5
163.14825	0.5
165.12727	0.4
169.10164	0.2
171.11694	6.9
173.02357	1.5
173.13269	7.0
175.11232	0.9
175.14841	5.8
177.12752	1.0
183.11664	0.4
184.04730	0.2
185.13274	6.2
186.14027	0.3
187.14717	1.1
189.12772	0.7
191.14334	0.3
199.14807	3.7
201.16443	0.5
203.14381	0.4
203.18082	0.3
213.16422	1.6
213.54655	0.3
215.06992	1.5
215.17970	0.8
217.15974	0.6
230.41194	0.2
231.17445	0.6
231.21046	2.6
241.19525	14.0
259.09836	1.5
259.20575	100.0
260.20920	0.4
277.11121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01878	4.3
55.05515	0.9
56.05029	3.1
56.96566	16.2
57.03442	9.3
58.06593	1.1
58.99852	1.8
59.04995	1.4
60.04521	4.0
61.02640	1.3
61.02929	15.2
61.04837	1.0
62.03259	0.7
67.05496	1.8
68.98294	1.2
69.03430	14.8
69.07059	1.6
70.03751	1.0
70.06595	13.7
70.98127	4.8
70.99850	2.9
71.01340	1.0
71.04982	3.7
71.06925	1.2
71.56226	0.9
71.95243	0.9
72.08154	5.5
73.02921	11.8
74.06078	3.8
77.00871	1.2
79.05498	0.9
81.03420	4.7
82.99804	4.9
83.00777	0.8
83.01339	1.0
83.06089	0.9
84.01573	0.8
84.04510	6.4
84.08147	28.8
84.96052	1.9
85.01433	1.1
85.02910	35.2
85.06510	0.9
86.03236	3.1
86.06054	1.1
86.09708	8.7
86.99333	0.9
87.01891	0.7
87.04465	2.8
88.03985	0.9
88.24142	0.8
88.99137	1.2
89.00864	1.4
90.05523	1.8
91.02451	2.2
91.03954	3.3
95.06100	2.4
96.01566	1.1
96.04498	3.3
97.02340	1.2
97.02888	19.0
97.04810	1.8
98.01317	1.2
98.03223	2.1
98.06069	0.9
98.97588	33.3
99.04446	3.5
100.02217	2.9
100.07639	1.1
101.00885	46.9
102.01612	0.7
102.02392	2.3
102.05543	1.0
102.52395	1.0
103.00632	3.4
103.02413	3.2
104.01292	1.6
105.02099	0.9
108.02390	0.7
109.02249	1.0
109.02907	2.5
109.50831	0.7
110.01302	2.2
110.02104	0.9
110.07187	0.9
110.97570	4.1
111.02049	1.4
111.02879	1.1
112.08733	3.3
112.99148	6.9
113.00877	15.1
113.03469	1.2
113.07121	1.2
114.01009	0.9
115.00617	1.4
115.02434	12.7
115.03921	1.6
115.08682	2.6
116.02520	2.9
116.07104	4.3
116.98629	16.2
117.02124	3.2
117.02911	1.1
117.07419	1.5
118.02853	1.1
119.01924	100.0
120.02031	2.7
121.01657	6.0
124.02807	1.1
124.95498	0.8
125.03577	0.9
126.02602	0.9
126.53516	0.9
126.98754	1.2
127.00758	0.8
127.02435	2.8
127.03940	11.3
127.04886	0.8
127.06137	0.8
128.02364	1.4
128.04352	1.6
128.98593	4.1
129.03993	1.7
129.10251	10.0
130.02846	0.9
130.05022	2.4
130.08652	2.4
131.00325	6.6
131.01912	42.8
131.03493	1.3
132.00804	1.6
132.01973	1.8
132.03468	2.0
132.50906	1.2
132.53545	1.3
133.01692	3.1
133.03468	41.4
134.03551	7.7
134.99681	3.9
135.03191	6.3
136.07509	0.7
137.02954	18.3
138.53441	1.3
139.02440	1.0
139.03345	0.9
139.54367	1.7
140.02339	2.0
140.04036	1.3
140.98601	2.6
141.01318	1.0
141.04010	1.2
142.03569	1.3
142.96547	1.1
143.00172	1.3
143.01900	17.7
143.11810	1.0
144.01985	1.8
144.99883	3.6
145.01682	3.2
145.03477	23.4
145.04970	4.4
146.02637	3.5
146.03757	1.1
146.05121	2.0
146.55084	1.8
146.99649	3.3
147.01375	3.0
147.03067	5.8
147.04993	4.3
147.07689	1.5
147.11316	2.2
147.54073	1.0
148.02034	1.5
148.03796	4.6
148.04787	1.1
148.54022	2.5
148.55013	1.2
149.01195	4.8
149.02954	11.8
149.04686	1.6
151.04535	7.1
152.05730	1.0
153.04082	1.6
154.03802	2.2
155.01860	3.7
155.55748	1.1
156.03651	6.9
156.99815	1.3
157.03543	4.8
157.09663	1.3
158.99641	8.6
159.01390	3.3
159.05064	1.1
161.02959	35.3
161.04314	1.7
161.55666	4.8
162.03212	1.5
162.04385	1.5
162.05542	1.7
163.02722	2.3
163.04509	6.3
164.04703	0.8
165.00760	1.8
167.04025	1.8
167.54434	0.7
168.04575	2.4
168.54663	6.8
168.99861	1.3
169.04515	9.0
170.56218	0.8
170.99895	0.7
171.01331	3.7
172.97652	0.8
173.01393	1.5
173.02969	22.4
174.03108	7.6
174.97836	0.8
174.99222	2.7
175.00912	9.6
175.02760	6.7
175.04533	3.8
175.11882	0.9
176.04395	1.0
177.00742	9.5
177.02464	4.6
177.55171	5.9
178.03253	1.1
178.04933	23.0
179.03979	1.8
180.99841	0.9
181.03560	1.2
182.51724	1.1
183.05046	1.1
184.04935	1.1
185.02946	3.6
186.03113	1.0
187.00938	7.8
187.04521	3.3
188.09190	2.2
189.00752	2.0
189.02463	10.8
189.04126	1.4
189.06128	2.0
190.04143	0.9
191.04047	12.5
191.05737	0.9
192.04196	5.2
192.55638	1.5
193.00313	1.4
193.01978	3.4
193.03810	4.5
194.05257	1.4
195.01810	1.3
198.02782	1.0
198.99086	1.3
199.00900	10.6
199.02473	1.5
199.04570	1.6
199.11957	1.5
200.63628	1.7
203.04088	3.3
204.04405	0.8
205.01976	4.3
205.03799	1.0
205.62917	0.9
207.03558	3.0
209.05212	1.3
211.04544	1.7
214.05695	0.9
215.00400	3.6
215.04071	0.9
217.00195	3.2
217.01955	43.5
217.05481	1.6
219.01631	1.5
219.03583	1.7
220.04138	1.9
221.05067	2.9
227.00432	2.9
229.01831	1.8
231.03575	2.5
233.01469	2.8
233.05078	7.8
234.05270	9.5
235.01186	2.9
235.03027	23.6
235.05003	5.7
237.02902	1.2
240.03546	1.5
245.01520	4.5
245.03465	1.1
246.05309	1.0
247.02939	6.3
247.05072	1.0
249.56630	1.6
250.05127	1.3
250.65573	1.0
252.06499	0.8
258.99829	8.7
259.02994	7.3
259.04163	7.5
259.07761	37.5
259.13568	17.2
259.15875	2.8
259.18472	2.2
260.19736	1.6
263.02631	1.2
264.06381	1.7
265.03848	1.5
277.00906	7.3
277.04111	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97958	0.1
55.05510	0.2
57.07077	4.7
58.06338	0.3
58.06575	0.9
67.05470	0.2
69.07080	0.2
70.06613	0.9
70.30293	0.5
71.08641	2.5
72.08160	17.0
83.08656	0.2
85.10177	0.9
85.21635	0.2
88.07632	1.5
90.09197	14.9
93.07074	0.2
93.64108	0.2
98.21375	0.2
110.47353	0.2
119.79075	0.2
131.08572	0.2
145.10202	0.3
146.10442	0.3
214.25319	1.0
227.12880	0.2
227.52026	0.2
240.18436	0.2
258.27930	100.0
259.28275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01878	4.3
55.05515	0.9
56.05029	3.1
56.96566	16.2
57.03442	9.3
58.06593	1.1
58.99852	1.8
59.04995	1.4
60.04521	4.0
61.02640	1.3
61.02929	15.2
61.04837	1.0
62.03259	0.7
67.05496	1.8
68.98294	1.2
69.03430	14.8
69.07059	1.6
70.03751	1.0
70.06595	13.7
70.98127	4.8
70.99850	2.9
71.01340	1.0
71.04982	3.7
71.06925	1.2
71.56226	0.9
71.95243	0.9
72.08154	5.5
73.02921	11.8
74.06078	3.8
77.00871	1.2
79.05498	0.9
81.03420	4.7
82.99804	4.9
83.00777	0.8
83.01339	1.0
83.06089	0.9
84.01573	0.8
84.04510	6.4
84.08147	28.8
84.96052	1.9
85.01433	1.1
85.02910	35.2
85.06510	0.9
86.03236	3.1
86.06054	1.1
86.09708	8.7
86.99333	0.9
87.01891	0.7
87.04465	2.8
88.03985	0.9
88.24142	0.8
88.99137	1.2
89.00864	1.4
90.05523	1.8
91.02451	2.2
91.03954	3.3
95.06100	2.4
96.01566	1.1
96.04498	3.3
97.02340	1.2
97.02888	19.0
97.04810	1.8
98.01317	1.2
98.03223	2.1
98.06069	0.9
98.97588	33.3
99.04446	3.5
100.02217	2.9
100.07639	1.1
101.00885	46.9
102.01612	0.7
102.02392	2.3
102.05543	1.0
102.52395	1.0
103.00632	3.4
103.02413	3.2
104.01292	1.6
105.02099	0.9
108.02390	0.7
109.02249	1.0
109.02907	2.5
109.50831	0.7
110.01302	2.2
110.02104	0.9
110.07187	0.9
110.97570	4.1
111.02049	1.4
111.02879	1.1
112.08733	3.3
112.99148	6.9
113.00877	15.1
113.03469	1.2
113.07121	1.2
114.01009	0.9
115.00617	1.4
115.02434	12.7
115.03921	1.6
115.08682	2.6
116.02520	2.9
116.07104	4.3
116.98629	16.2
117.02124	3.2
117.02911	1.1
117.07419	1.5
118.02853	1.1
119.01924	100.0
120.02031	2.7
121.01657	6.0
124.02807	1.1
124.95498	0.8
125.03577	0.9
126.02602	0.9
126.53516	0.9
126.98754	1.2
127.00758	0.8
127.02435	2.8
127.03940	11.3
127.04886	0.8
127.06137	0.8
128.02364	1.4
128.04352	1.6
128.98593	4.1
129.03993	1.7
129.10251	10.0
130.02846	0.9
130.05022	2.4
130.08652	2.4
131.00325	6.6
131.01912	42.8
131.03493	1.3
132.00804	1.6
132.01973	1.8
132.03468	2.0
132.50906	1.2
132.53545	1.3
133.01692	3.1
133.03468	41.4
134.03551	7.7
134.99681	3.9
135.03191	6.3
136.07509	0.7
137.02954	18.3
138.53441	1.3
139.02440	1.0
139.03345	0.9
139.54367	1.7
140.02339	2.0
140.04036	1.3
140.98601	2.6
141.01318	1.0
141.04010	1.2
142.03569	1.3
142.96547	1.1
143.00172	1.3
143.01900	17.7
143.11810	1.0
144.01985	1.8
144.99883	3.6
145.01682	3.2
145.03477	23.4
145.04970	4.4
146.02637	3.5
146.03757	1.1
146.05121	2.0
146.55084	1.8
146.99649	3.3
147.01375	3.0
147.03067	5.8
147.04993	4.3
147.07689	1.5
147.11316	2.2
147.54073	1.0
148.02034	1.5
148.03796	4.6
148.04787	1.1
148.54022	2.5
148.55013	1.2
149.01195	4.8
149.02954	11.8
149.04686	1.6
151.04535	7.1
152.05730	1.0
153.04082	1.6
154.03802	2.2
155.01860	3.7
155.55748	1.1
156.03651	6.9
156.99815	1.3
157.03543	4.8
157.09663	1.3
158.99641	8.6
159.01390	3.3
159.05064	1.1
161.02959	35.3
161.04314	1.7
161.55666	4.8
162.03212	1.5
162.04385	1.5
162.05542	1.7
163.02722	2.3
163.04509	6.3
164.04703	0.8
165.00760	1.8
167.04025	1.8
167.54434	0.7
168.04575	2.4
168.54663	6.8
168.99861	1.3
169.04515	9.0
170.56218	0.8
170.99895	0.7
171.01331	3.7
172.97652	0.8
173.01393	1.5
173.02969	22.4
174.03108	7.6
174.97836	0.8
174.99222	2.7
175.00912	9.6
175.02760	6.7
175.04533	3.8
175.11882	0.9
176.04395	1.0
177.00742	9.5
177.02464	4.6
177.55171	5.9
178.03253	1.1
178.04933	23.0
179.03979	1.8
180.99841	0.9
181.03560	1.2
182.51724	1.1
183.05046	1.1
184.04935	1.1
185.02946	3.6
186.03113	1.0
187.00938	7.8
187.04521	3.3
188.09190	2.2
189.00752	2.0
189.02463	10.8
189.04126	1.4
189.06128	2.0
190.04143	0.9
191.04047	12.5
191.05737	0.9
192.04196	5.2
192.55638	1.5
193.00313	1.4
193.01978	3.4
193.03810	4.5
194.05257	1.4
195.01810	1.3
198.02782	1.0
198.99086	1.3
199.00900	10.6
199.02473	1.5
199.04570	1.6
199.11957	1.5
200.63628	1.7
203.04088	3.3
204.04405	0.8
205.01976	4.3
205.03799	1.0
205.62917	0.9
207.03558	3.0
209.05212	1.3
211.04544	1.7
214.05695	0.9
215.00400	3.6
215.04071	0.9
217.00195	3.2
217.01955	43.5
217.05481	1.6
219.01631	1.5
219.03583	1.7
220.04138	1.9
221.05067	2.9
227.00432	2.9
229.01831	1.8
231.03575	2.5
233.01469	2.8
233.05078	7.8
234.05270	9.5
235.01186	2.9
235.03027	23.6
235.05003	5.7
237.02902	1.2
240.03546	1.5
245.01520	4.5
245.03465	1.1
246.05309	1.0
247.02939	6.3
247.05072	1.0
249.56630	1.6
250.05127	1.3
250.65573	1.0
252.06499	0.8
258.99829	8.7
259.02994	7.3
259.04163	7.5
259.07761	37.5
259.13568	17.2
259.15875	2.8
259.18472	2.2
260.19736	1.6
263.02631	1.2
264.06381	1.7
265.03848	1.5
277.00906	7.3
277.04111	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
55.41647	0.2
57.07074	10.7
58.06602	2.2
59.41233	0.3
62.05783	0.5
62.06087	7.1
62.06409	0.4
67.05500	0.5
69.07063	0.4
69.93640	0.7
69.94032	0.4
71.08630	4.9
79.05495	0.3
82.07424	0.3
85.10184	2.3
127.36388	0.2
163.54134	0.3
186.02989	0.3
240.26869	4.9
258.27924	100.0
259.28137	0.6
274.58762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01875	10.2
56.96570	19.2
57.03440	20.6
60.04522	10.6
61.02930	22.2
68.05013	2.4
69.03072	3.4
69.03429	46.1
70.06595	43.7
70.98095	2.9
70.99879	1.9
71.04990	4.2
72.08170	2.5
73.02917	30.4
73.91727	2.3
79.05486	4.6
79.40027	1.7
81.03420	13.1
83.01296	2.3
83.04929	2.4
84.04501	2.6
84.08127	4.7
84.96074	3.0
85.02908	100.0
86.03232	4.4
87.01896	2.7
87.04460	4.0
88.99154	2.8
91.03941	6.8
93.01875	3.6
97.02893	43.7
98.03207	2.6
98.97589	26.0
99.04440	10.3
101.00884	24.3
101.02361	2.6
102.00932	2.7
102.02409	9.9
103.02477	3.2
104.10754	3.6
106.02588	2.2
108.02385	2.5
109.02878	7.6
110.01298	5.6
110.06052	2.5
110.07151	2.2
110.97550	12.5
111.02911	4.3
113.00850	7.9
115.02430	26.2
115.03922	5.1
116.07083	13.7
116.98611	6.0
117.02904	3.5
119.01907	26.0
123.02926	3.2
123.97919	2.0
126.03439	4.5
127.02418	4.3
127.03922	36.3
128.02309	6.7
128.98605	8.3
129.02907	6.0
130.08684	2.5
131.00136	3.6
131.01894	10.0
132.01947	3.1
132.03406	9.5
132.06541	4.2
133.03476	60.5
134.03531	4.5
137.02866	1.9
138.03419	8.9
139.04237	4.7
140.98595	3.1
141.03944	3.0
143.01878	24.2
144.01944	2.7
144.03433	2.0
145.01646	2.9
145.03476	14.4
145.04958	16.7
146.99606	3.4
147.02953	2.7
147.03960	9.0
147.04999	2.6
148.04756	11.9
149.01253	2.5
149.02899	2.5
151.04524	5.6
153.04002	3.3
154.02036	4.3
154.03569	1.9
155.01947	9.7
156.02164	2.2
156.03625	3.3
156.98082	7.5
157.03479	2.3
158.99643	5.6
159.03922	2.9
161.02919	13.7
163.04549	3.7
167.54367	5.4
168.01927	2.7
168.04530	39.5
168.54546	2.6
170.06627	5.1
170.99648	4.0
171.01265	2.7
172.01370	2.2
173.01424	3.4
173.02965	65.3
174.03069	6.8
174.04456	2.6
174.99155	25.0
175.04532	4.2
177.00792	2.8
177.02307	6.8
177.05040	29.5
182.03299	2.1
182.99643	2.1
185.02942	7.6
185.06721	2.5
187.04572	2.4
189.00751	2.2
189.02414	8.6
190.98628	5.7
191.03999	47.1
191.05745	3.2
192.05589	5.7
193.00157	15.7
197.54700	2.2
198.06084	23.4
200.04411	8.2
201.00568	2.3
203.03960	9.7
208.99687	3.6
212.05243	2.1
216.04019	2.4
216.07161	20.9
217.00108	2.3
217.02065	9.8
219.01889	2.5
231.03513	2.5
232.03609	2.7
232.99693	7.2
233.05075	80.2
234.05177	3.4
235.01013	3.1
235.03058	4.1
237.02586	2.2
240.12343	3.5
244.07465	1.8
245.05052	11.7
251.06157	4.2
258.04828	3.0
258.13312	60.2
263.06171	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03936	1.7
55.01861	1.9
55.05502	3.8
57.07038	1.5
67.05513	8.8
69.03404	1.6
69.07043	4.9
71.01347	2.8
71.04980	5.0
79.05480	6.0
81.07055	8.0
85.06544	3.1
91.05481	9.9
93.07047	20.6
93.87372	1.4
95.04951	5.3
95.08620	11.5
98.32517	1.3
98.97569	1.7
100.46073	1.3
103.05442	1.7
105.07037	24.1
107.08602	16.0
109.06519	6.1
109.10157	11.5
111.08078	2.9
113.90301	1.4
117.07018	5.3
119.08584	21.7
121.10152	79.2
123.08056	3.7
123.11716	2.4
129.07010	2.8
131.08571	10.8
133.07645	1.9
133.10153	11.3
135.08055	27.6
135.11713	3.2
137.09616	7.5
141.07010	1.8
142.07782	3.5
143.08556	13.9
144.09377	2.5
145.10129	15.0
147.11707	3.7
149.09624	3.5
151.11143	2.7
153.07089	1.6
155.08575	3.8
156.09364	3.5
157.10149	19.7
158.10918	2.6
159.11707	16.0
161.13278	1.8
163.11218	6.3
168.09348	2.1
169.10139	5.9
170.10889	2.5
170.25446	1.2
171.11682	9.3
172.12372	1.8
173.13274	21.3
175.11160	2.8
175.14822	2.2
177.12706	1.3
183.11642	7.4
184.12331	1.7
185.13228	1.7
187.11180	4.3
187.14877	3.0
189.12720	2.2
197.13225	7.2
199.14822	31.2
201.12805	8.7
209.13197	1.3
213.16345	10.7
215.14403	1.8
215.17894	9.7
239.17924	14.8
249.42076	1.3
256.77411	1.4
257.19012	100.0
257.26602	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01860	1.1
55.05515	7.8
56.96556	1.1
57.03441	4.1
57.07069	1.4
67.05177	1.1
67.05508	18.8
69.03409	0.8
69.07076	6.7
69.73217	4.5
71.04969	2.0
79.05496	8.2
81.07057	13.8
83.04977	1.2
83.08633	4.0
85.06535	2.2
86.70736	0.7
88.07563	0.8
91.05485	17.7
93.07046	6.4
95.04922	1.2
95.08611	11.0
97.06520	1.7
97.10131	0.9
98.97572	2.2
99.08085	1.2
105.07028	12.1
106.77509	0.7
107.08588	5.5
109.06509	1.8
109.10162	5.4
111.08071	1.6
114.84091	0.7
115.05457	2.0
116.06236	1.8
116.98617	1.2
117.07022	28.9
117.07850	1.7
119.08572	11.0
121.06500	1.0
121.10146	6.3
123.08054	1.1
128.06212	4.2
129.07008	18.2
130.07767	3.0
131.08572	44.9
133.06506	1.4
133.10144	10.4
134.99677	0.7
135.08031	3.1
135.11681	2.1
137.09680	1.7
141.06992	6.2
142.07791	4.0
143.08563	18.8
144.09314	1.6
145.06470	2.0
145.10129	58.3
147.08022	2.5
147.11679	4.1
149.09592	2.1
151.11166	1.0
154.07774	1.5
155.08551	8.1
156.09314	2.3
157.10132	25.8
159.08061	1.8
159.11697	36.6
161.09624	4.4
161.13229	2.0
163.11176	1.5
167.08456	1.2
168.09370	2.3
169.10112	13.0
171.11694	23.7
171.62131	0.7
173.09641	2.2
173.11772	1.0
173.13269	17.5
175.11186	3.6
175.14830	0.8
182.10919	0.9
183.11685	17.0
185.13266	10.5
187.11205	3.2
187.14851	2.1
189.12764	1.1
193.00246	0.8
195.11716	1.1
196.12567	0.7
197.13249	14.0
199.11160	1.0
199.14859	6.0
201.12698	3.9
201.16391	2.3
202.97121	0.8
209.13316	0.8
210.14064	1.5
211.14890	4.0
213.16360	3.9
215.14322	2.5
215.17950	2.2
229.15829	0.9
229.19484	4.5
239.17949	35.3
257.19009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05511	5.7
57.03448	2.0
57.07066	1.8
65.03950	1.0
67.05169	1.6
67.05504	21.1
69.07081	5.1
69.76930	3.2
69.77341	3.3
71.04975	4.2
74.08533	1.0
79.05494	8.8
81.07056	14.3
83.04948	1.7
83.08615	1.7
85.06534	1.7
91.05479	13.0
93.07047	14.7
95.04943	3.1
95.08617	10.1
97.06518	1.6
97.10205	1.2
98.20757	2.3
98.97548	1.3
103.05435	1.3
105.07027	22.9
107.08595	12.0
109.06530	4.9
109.10171	9.1
111.08077	3.2
115.05444	3.0
116.06245	2.6
116.98600	1.3
117.07018	24.4
119.08588	16.6
121.10143	60.3
123.08060	2.5
123.11719	1.8
128.06213	5.6
129.07001	19.5
130.07800	4.6
131.08571	46.2
133.06592	1.1
133.10141	11.7
135.07104	1.7
135.08064	20.9
135.11667	2.4
137.09595	3.7
141.06993	7.5
142.07761	3.6
143.08560	21.1
145.10123	57.6
147.11679	3.6
149.09634	4.5
151.11188	2.1
154.07802	1.9
155.08537	10.3
156.09348	1.3
157.10127	23.9
159.11693	28.2
161.09634	1.3
161.13245	1.9
163.11191	4.1
167.08493	1.2
168.09341	2.8
169.10133	14.2
171.11687	24.4
173.09648	2.0
173.13269	20.6
175.11206	2.1
177.12758	1.6
181.10124	1.4
181.67471	1.0
183.11691	21.8
185.13255	5.0
187.11162	2.3
187.14842	2.1
197.13255	15.1
199.14824	23.2
201.12788	2.8
211.14865	3.1
213.16406	7.4
214.17027	1.0
215.14345	1.7
215.17961	4.6
229.19612	2.6
239.17940	33.7
246.23170	1.1
257.19000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.7
56.22835	0.5
57.03188	0.9
57.03443	11.2
57.07077	0.8
67.05173	0.9
67.05508	14.1
67.37142	0.5
69.07078	3.9
70.57809	2.1
78.96142	0.5
79.05492	7.8
81.07066	9.3
83.04987	0.6
83.08609	3.7
85.06539	1.9
88.36986	0.6
91.05489	12.5
93.07049	6.7
95.04943	0.6
95.08617	9.1
95.09185	1.1
97.06516	1.4
97.10146	0.8
98.97585	0.9
99.08118	3.9
100.06475	0.6
103.05446	0.7
105.07030	12.4
107.04967	0.6
107.08601	3.6
109.06532	2.0
109.10162	3.4
111.08045	1.5
113.22598	0.6
115.05462	2.3
116.06239	1.3
117.07021	30.9
119.08584	8.2
121.10199	3.8
128.06209	4.3
129.07010	22.4
130.07796	3.4
131.08577	30.2
131.09352	0.5
133.06564	1.2
133.10126	5.1
135.08064	1.3
135.11682	1.2
140.30922	0.6
141.07004	4.3
142.07774	3.5
143.08572	18.3
144.09279	1.5
145.10130	52.9
147.08058	1.1
147.11696	5.3
149.09601	0.8
154.07826	1.3
155.08598	5.4
156.09331	0.9
157.10144	19.0
158.10889	0.9
159.08098	0.8
159.11697	36.9
161.09625	2.9
161.13271	1.4
163.11270	0.7
168.09390	1.6
169.10141	13.6
170.10945	1.3
171.11693	10.3
173.09624	1.8
173.13257	12.9
175.11198	2.2
181.10175	1.0
182.10928	1.1
183.11694	11.2
185.13271	60.8
187.11189	3.2
187.14818	1.1
189.12933	0.7
197.13261	9.6
199.14775	4.3
201.12869	1.1
201.16376	5.0
210.14130	0.7
211.14818	2.5
213.16403	1.2
214.75293	0.7
215.14394	0.8
215.17926	0.8
229.19463	5.0
229.32224	0.7
239.17953	26.5
257.19022	100.0
257.26593	1.9
258.28055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.27190	0.7
53.03941	1.2
55.01875	1.8
55.05510	9.9
57.03424	2.4
57.07068	1.3
57.56686	0.7
67.05505	23.8
69.07073	5.6
71.04997	2.3
79.05493	10.1
81.03463	0.9
81.07056	16.7
83.04964	1.8
83.08616	3.3
85.06550	2.6
91.05483	16.7
93.07047	8.0
95.04977	2.4
95.08601	13.4
97.06532	2.6
97.10183	2.0
99.08068	1.0
105.07032	14.2
105.08548	0.9
105.70168	0.8
107.04960	2.3
107.08619	5.5
109.02888	3.7
109.06507	0.9
109.10115	5.3
111.08097	1.4
112.99166	0.8
115.05448	3.7
116.06239	1.3
117.07023	27.4
117.07849	1.7
119.08585	10.4
120.46834	0.8
121.10145	4.3
122.00694	0.9
125.09628	1.2
128.06224	4.0
129.07013	13.1
130.07819	3.9
131.08572	49.6
133.06479	2.6
133.10124	9.8
135.08051	3.3
135.11676	1.6
137.09634	1.6
141.06987	6.4
142.07796	3.3
142.31523	0.9
143.08553	17.7
145.06488	3.2
145.10129	78.0
147.08025	3.1
147.11684	5.5
149.09639	1.9
154.07744	1.7
155.08565	7.6
157.10132	22.8
159.08052	3.6
159.11694	28.1
161.09650	4.5
161.13284	1.4
163.11180	1.6
165.12720	1.0
168.09378	1.5
169.10141	13.9
171.11696	20.9
173.09680	2.4
173.13260	12.3
175.11166	3.9
175.14925	1.0
179.10600	1.2
181.10025	1.2
183.11688	13.3
185.13252	4.9
187.11110	3.8
187.14740	1.0
189.12727	2.3
197.13272	13.5
199.14830	2.3
201.12729	1.8
201.16315	1.2
207.10179	2.6
210.13934	1.0
211.14899	4.3
213.16415	2.4
215.14322	3.4
215.18019	1.3
225.11130	1.3
229.19507	2.9
239.17950	31.3
257.04474	1.3
257.19028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	1.2
55.01868	0.8
55.05510	6.8
55.17168	0.7
57.03418	3.3
57.07066	1.6
63.14795	0.8
65.03917	0.8
67.05505	15.7
69.07067	5.5
69.28957	6.5
71.04976	2.2
79.05496	8.2
81.07057	17.9
83.04964	0.9
83.08612	2.8
85.06529	2.1
91.05483	15.8
93.07038	5.5
95.08611	11.2
97.06503	2.4
97.10144	1.0
99.08074	2.2
103.05431	1.0
105.07029	12.3
107.08580	3.9
109.06538	0.9
109.10143	3.0
111.08115	0.8
115.05446	3.5
116.06228	1.9
117.07020	37.2
119.08582	11.1
121.06502	1.0
121.10125	3.4
123.08084	0.8
128.06242	5.6
129.07013	19.2
130.07779	4.1
131.08569	60.5
133.06512	1.5
133.10127	7.9
135.08023	1.9
135.11674	1.3
137.09622	1.1
141.06984	7.8
142.07751	4.1
143.08563	17.9
144.09326	1.5
145.06474	1.7
145.10126	61.3
147.08049	2.0
147.11699	6.6
149.09628	1.8
154.07777	1.8
154.77571	0.7
155.08527	9.0
156.09360	1.2
157.10136	28.5
159.08090	2.5
159.11693	43.0
161.09621	2.8
161.13249	2.1
161.99744	0.8
163.11134	1.3
165.12770	1.8
168.09349	2.0
169.10138	14.2
171.11700	22.7
173.09673	2.1
173.13264	21.8
175.11179	3.8
177.12663	0.8
181.10092	1.3
182.10930	1.2
183.11697	18.0
185.13277	14.0
187.11215	2.9
187.14848	1.2
189.12723	2.7
195.11740	1.4
196.12756	0.9
197.13260	15.8
198.14085	0.8
199.14835	2.0
201.12741	2.7
201.16389	1.1
210.14142	1.5
211.14819	4.0
213.16417	4.3
215.14348	2.5
229.19482	4.5
239.17952	36.7
257.19016	100.0
257.30304	2.0
258.19492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.01886	0.7
55.05519	9.5
57.03434	1.7
57.07072	2.3
60.05536	0.6
65.03954	0.9
67.05509	22.4
69.07077	4.9
71.04992	1.2
71.08257	1.0
79.05499	8.3
81.07067	11.7
83.08634	2.9
84.79470	0.6
85.06541	1.1
91.05483	14.4
93.07060	5.4
95.04975	1.2
95.08611	9.4
97.06544	1.2
97.10191	1.0
98.97576	0.7
104.19956	0.7
105.07041	13.8
107.08602	3.5
109.06498	0.9
109.10165	5.2
111.08060	1.2
115.05477	2.3
116.06232	1.7
117.07027	25.8
119.08594	8.0
121.06506	0.6
121.10159	2.4
123.08060	1.1
125.09678	0.6
128.06216	4.5
129.07018	15.1
130.07802	5.2
131.08580	48.3
133.06502	2.0
133.10146	5.6
135.08069	1.4
135.11723	1.9
141.06985	6.2
142.00803	0.7
142.07817	2.8
143.08569	21.7
143.09706	1.2
144.09314	0.6
145.06451	2.1
145.10135	100.0
147.08038	1.9
147.11708	4.9
149.09593	0.8
153.07054	0.9
154.07791	2.1
155.08556	8.2
157.10146	16.0
159.08061	1.8
159.11705	25.7
161.09639	2.8
161.13264	2.2
163.11209	1.3
167.08575	1.0
168.09314	1.4
169.10144	10.9
171.11713	23.3
173.09660	1.2
173.13284	12.9
175.11218	3.3
182.11024	0.8
183.11719	14.3
185.13269	5.9
187.11186	4.4
187.14867	1.4
189.12709	1.2
196.12511	0.8
197.13261	13.1
199.14795	1.8
201.12775	1.2
210.14046	0.7
211.14824	3.3
213.16362	2.2
215.14389	1.4
215.17937	0.9
229.19528	11.1
239.17963	26.8
257.19028	85.4
258.19379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01850	1.0
55.05509	8.1
57.03439	10.8
57.07056	1.5
65.03936	0.8
67.05174	1.2
67.05504	15.2
69.07069	6.0
69.80434	2.7
69.80851	1.0
71.04990	1.6
73.57485	0.7
79.05488	8.3
81.07056	15.0
83.04961	0.9
83.08632	4.7
85.06522	2.5
91.05485	14.7
93.07048	7.4
95.04974	1.3
95.08607	11.3
97.06523	1.7
97.10155	1.4
99.08098	7.9
103.05476	0.9
105.07033	12.8
107.04993	1.0
107.08565	3.7
109.06508	1.7
109.10162	2.6
111.08090	0.7
115.05457	2.5
116.06215	1.9
117.07015	43.8
119.08582	8.2
120.36737	0.7
121.10126	2.0
122.50268	0.6
123.08096	1.6
128.06229	6.6
129.07004	25.1
130.07803	5.1
131.08569	38.8
133.10123	3.8
135.11720	0.8
141.06956	6.3
142.07777	4.8
143.07492	1.4
143.08560	22.0
144.09343	2.7
145.10120	75.0
147.08014	1.1
147.11725	4.1
149.09663	1.6
153.07016	0.8
154.07755	2.0
155.08545	7.6
156.09328	1.1
157.10129	36.2
159.11691	80.4
161.09573	3.1
161.13243	2.0
163.11162	1.5
167.08560	0.9
168.09309	1.5
169.10133	17.3
170.10909	2.1
171.11681	17.8
173.09630	1.8
173.13263	29.4
175.11200	2.3
177.12712	0.6
181.10141	0.8
182.10898	0.9
183.10089	0.7
183.11702	16.2
185.13260	59.7
187.11147	2.3
187.14786	1.6
189.12752	2.3
195.11621	0.8
197.13261	14.7
199.14832	3.4
201.12762	0.9
201.16356	4.1
210.14032	1.7
211.14845	5.1
213.16428	2.6
215.14229	1.0
229.19518	2.7
239.17941	42.2
257.19003	100.0
257.30292	7.8
258.19467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91035	1.5
52.92982	1.3
53.03927	4.5
55.01869	5.9
55.05274	1.8
55.05518	26.6
56.96545	4.5
57.03427	5.8
57.07080	1.9
59.05014	7.7
61.02921	1.9
65.03957	3.3
67.05510	50.4
69.03412	3.3
69.07078	14.3
69.70184	1.5
71.04995	14.6
71.26767	2.4
71.27096	2.0
79.05058	2.7
79.05494	34.5
79.71530	1.5
80.09584	1.4
80.21828	1.4
81.03423	57.8
81.07059	44.3
83.04989	15.6
83.08628	24.4
85.02906	1.8
85.06534	6.7
91.05485	37.4
93.06541	2.5
93.07050	21.7
95.04984	21.3
95.08620	20.2
97.06543	10.4
97.10152	4.8
98.97570	3.7
99.08073	2.9
105.07032	30.7
107.04941	6.4
107.08614	16.7
109.06520	6.0
109.10172	13.7
111.04420	2.2
111.08096	13.5
113.05973	3.4
115.05493	1.7
116.98625	2.0
117.07000	10.2
119.08590	18.9
121.06547	1.8
121.10148	16.8
123.08089	4.0
125.05918	1.9
128.06255	3.5
129.07013	13.8
131.08572	36.2
133.06474	2.7
133.10149	20.0
133.98616	1.5
135.08037	2.0
135.11682	1.9
137.09641	3.5
141.06949	2.1
142.07784	4.5
143.08565	14.5
145.10132	63.1
147.08075	3.8
147.11703	32.3
149.09647	14.1
155.08583	3.8
157.10147	21.5
159.11731	8.1
161.09688	2.5
165.12790	5.9
169.10120	4.4
171.11729	14.0
173.11755	2.2
173.13239	3.7
175.11189	25.6
179.14221	1.9
181.12245	1.9
183.11676	7.4
185.13261	2.7
193.12256	100.0
197.13271	5.4
197.15361	12.7
199.14821	1.7
207.13773	2.3
225.14874	74.5
239.17999	7.3
243.12328	3.4
257.08185	2.1
257.13724	5.7
257.19162	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	3.7
53.03946	3.8
55.01874	6.5
55.05515	33.6
56.96564	2.7
57.03439	5.6
57.07059	3.1
59.05008	7.6
61.02919	1.3
61.14936	1.1
65.03931	1.9
67.05510	48.6
68.99790	1.4
69.03429	4.4
69.07076	10.1
70.07346	4.3
71.01353	2.4
71.05002	11.4
73.02937	1.7
79.05064	1.9
79.05500	29.5
81.03425	35.1
81.07065	50.0
83.04976	15.9
83.08622	24.1
84.45741	1.0
85.02895	2.4
85.06545	9.6
87.04465	3.7
91.05486	43.4
93.07056	28.1
95.04965	16.9
95.08044	2.0
95.08611	22.3
97.02879	4.0
97.06540	12.9
97.10171	4.4
98.21426	1.4
98.97567	3.9
99.00827	14.6
99.08081	2.9
101.05994	1.3
105.07042	35.6
107.04961	8.7
107.08601	16.6
109.02897	7.0
109.06528	8.1
109.10159	11.9
111.04430	3.5
111.08088	12.2
113.02366	1.8
113.06000	3.1
115.05473	1.8
116.98688	1.3
117.07045	9.0
119.04927	1.4
119.08595	23.3
121.06497	7.3
121.10152	13.9
123.04435	2.0
123.08064	5.9
123.11714	3.5
125.09608	1.4
127.03902	1.8
128.06248	2.8
129.07024	10.4
131.00208	1.6
131.08580	23.2
133.06541	5.2
133.10146	35.5
134.99577	1.3
135.08075	1.5
135.11745	1.3
137.05978	1.8
137.09612	2.6
139.07527	3.1
141.07002	1.4
142.07770	2.5
142.12248	2.3
143.08585	6.4
145.06499	2.6
145.10126	20.7
147.08020	3.8
147.11702	29.3
147.12714	1.0
149.09645	9.5
151.11215	9.0
155.08559	1.5
157.10141	16.8
157.11353	2.1
159.11713	8.9
161.09650	16.4
162.03387	1.4
163.11162	1.3
165.09067	1.3
165.12758	4.5
169.10127	3.2
171.08080	3.7
171.11769	5.5
173.11858	1.4
173.13284	3.5
175.11189	18.2
179.10695	12.0
179.14281	2.3
183.11671	4.8
185.13290	2.4
189.09135	12.3
193.12265	60.8
196.33443	1.2
197.11644	3.4
197.13405	1.7
197.15367	17.0
207.10201	6.1
207.13843	2.8
211.13300	4.0
225.11443	18.7
225.14857	100.0
229.17870	2.2
239.18010	4.4
243.12346	3.5
248.11748	1.6
256.62320	1.2
257.10287	2.4
257.13678	3.2
257.19397	19.4
274.97549	1.8
279.77457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.86410	0.4
56.96554	0.6
57.03442	7.5
59.17112	0.5
65.03935	0.5
67.61649	0.5
69.03425	1.2
69.54230	1.4
69.54655	2.0
70.06587	1.4
72.08154	1.4
73.02917	2.7
75.04489	2.4
78.30988	0.5
79.05502	3.4
81.03434	0.6
81.07057	1.1
84.08150	0.8
85.02879	0.6
86.09704	1.4
91.05491	4.1
93.32018	0.4
95.08596	1.0
97.02918	0.7
98.21455	1.1
98.97604	3.6
103.05458	2.2
105.07040	31.8
107.04945	2.4
109.06550	0.8
110.07165	0.8
111.04383	0.6
115.05416	0.7
116.98607	1.6
117.07018	0.9
119.04954	3.8
119.08540	0.6
121.10139	0.5
122.03675	3.3
123.04405	1.0
124.05206	1.1
128.02646	0.5
128.98639	0.7
133.06502	48.9
135.04388	0.6
135.08069	1.4
137.05988	100.0
145.03494	0.5
146.03635	1.1
147.04417	12.7
147.08072	0.8
150.06766	0.8
151.07545	0.8
158.99704	1.3
163.07576	3.7
165.09123	26.5
170.03706	2.0
175.07515	2.9
177.09186	0.9
181.08626	2.2
183.10158	6.6
188.04755	0.9
203.10712	1.2
209.11778	1.3
221.11780	2.9
236.04195	0.5
236.06198	2.5
236.56403	0.6
237.02861	0.6
239.12787	1.0
245.06778	0.9
245.57153	0.7
257.13858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	24.8
55.01869	9.6
55.05507	10.6
56.96537	7.8
57.07071	8.5
67.05510	56.9
68.06520	6.7
69.07061	15.1
69.96134	15.3
69.96553	23.2
79.05486	34.7
81.03426	59.1
81.07057	100.0
83.04955	8.9
85.06499	8.1
85.49220	6.9
91.05475	29.0
93.07048	65.6
95.04973	12.3
95.08602	40.3
98.21426	9.7
98.98460	41.1
105.07030	14.3
107.04951	40.2
107.08609	14.6
109.06470	13.3
111.08111	15.0
117.07018	19.1
119.08612	10.5
121.06519	16.8
121.10149	9.5
123.08051	15.5
131.08604	9.7
133.10109	15.5
135.11664	33.5
143.08559	9.8
145.06503	16.1
145.10226	8.1
149.13255	25.1
155.08595	10.4
157.10185	11.6
159.11688	34.5
169.10135	15.3
173.09680	12.1
177.12738	61.3
187.11177	28.0
205.12367	14.7
209.11705	9.1
209.15341	21.6
223.13281	13.3
236.19849	7.8
237.11134	9.6
255.17696	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	256.3001
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
57.07075	4.6
58.06358	0.3
58.06588	1.2
59.07375	0.2
60.08167	17.7
67.58788	0.2
69.07049	0.3
71.08636	1.9
71.57235	0.3
81.07063	0.2
85.10172	0.9
88.07623	0.3
90.25545	0.2
93.03230	0.2
93.07045	0.3
97.21154	0.2
112.26978	0.2
224.34618	0.2
241.14816	0.3
256.29996	100.0
257.30368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48945	1.3
51.59563	1.1
53.03929	3.5
55.01855	4.2
55.05515	26.2
56.64856	1.1
56.96570	7.4
57.03441	40.8
57.07080	6.5
59.04982	2.6
65.03932	2.1
67.05509	69.7
69.03407	3.4
69.07073	29.1
71.01344	5.5
71.05002	10.5
71.08616	1.1
71.57442	1.7
72.08156	7.4
73.02916	2.1
77.43600	1.1
79.05503	65.8
81.03426	7.6
81.07064	43.0
83.04548	1.6
83.04990	19.8
83.08615	6.9
84.08137	1.4
85.02895	2.7
85.06548	7.5
91.04972	1.8
91.05488	26.2
93.07050	71.7
95.04985	8.4
95.08617	16.3
97.06540	23.7
97.10175	20.0
98.97565	4.3
98.98467	16.4
99.04442	1.9
99.08096	2.4
105.04512	2.8
105.07062	8.0
107.04940	4.8
107.08601	51.5
109.06517	2.1
109.09572	1.3
109.10167	13.6
111.04426	1.6
111.08102	6.2
111.11700	1.4
116.98600	1.4
117.06997	6.0
119.04929	2.4
119.08601	11.1
121.06477	4.0
121.09426	1.5
121.10149	14.9
123.11665	3.1
125.05983	1.9
125.09583	4.2
127.03798	1.7
129.06969	1.9
130.07825	1.3
131.08504	3.7
133.06546	1.4
133.10126	8.4
135.08035	2.5
135.11700	100.0
137.02310	3.4
137.09616	3.1
139.11217	1.6
143.00180	1.5
145.02838	1.7
145.09084	1.3
145.10136	17.9
149.13231	2.0
151.11154	1.2
153.07069	1.4
153.12688	4.4
155.03400	1.5
157.10130	1.9
158.99559	1.3
159.11656	2.1
163.11172	16.7
165.12770	1.3
181.12242	25.5
187.04567	1.3
195.06538	1.6
199.13335	1.8
213.16693	1.4
219.17352	1.5
219.21144	1.8
234.12569	1.7
237.18520	1.8
248.08739	1.6
254.56369	1.4
255.06549	48.3
255.09247	2.7
255.15851	64.1
255.19185	7.2
255.21654	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.64293	1.4
52.52927	1.3
53.03939	2.2
55.01858	3.5
55.05268	2.2
55.05513	27.1
57.03442	51.0
57.07058	4.2
65.03907	2.1
66.37801	1.4
67.05510	73.7
69.03418	2.2
69.06728	1.6
69.07070	24.8
69.80328	7.6
71.01331	5.1
71.04991	7.5
79.05499	65.9
79.63620	1.4
81.03429	10.8
81.06586	2.2
81.07058	36.4
83.04560	1.5
83.04982	21.1
83.08625	9.5
85.02873	1.7
85.06509	5.3
91.04977	2.4
91.05489	27.7
93.07053	73.5
94.04952	1.4
95.04974	6.9
95.08617	12.7
97.06015	1.6
97.06541	23.3
97.10180	14.7
98.98429	6.3
99.08068	4.6
105.06994	5.3
107.04945	3.0
107.08599	44.4
109.06523	3.3
109.10188	8.0
111.08090	2.3
117.07027	8.8
119.08585	12.4
121.06475	3.1
121.10143	13.0
125.09612	4.3
133.10103	6.6
135.08018	1.8
135.11700	100.0
136.35397	1.3
137.09616	3.6
143.08536	2.8
145.10124	18.6
151.11211	2.3
153.12685	2.6
163.11195	18.9
181.12265	21.0
216.02795	1.3
249.61925	1.5
255.15833	85.4
278.98792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03921	5.5
55.01851	2.9
55.05518	24.1
55.49327	1.2
56.96547	2.3
57.03442	51.5
57.03701	1.8
57.07050	5.2
59.04961	1.4
60.27741	1.3
65.03912	2.0
67.05509	82.1
69.03397	2.6
69.06734	1.6
69.07071	24.3
70.20457	5.5
71.01327	4.7
71.04987	9.3
76.94154	1.3
77.03893	1.4
79.05498	78.7
79.05957	3.6
81.03407	8.2
81.07061	36.0
83.04990	28.5
83.08616	9.3
85.02888	2.8
85.06544	7.4
91.05487	29.9
93.07049	86.5
95.01451	1.4
95.04961	7.6
95.08611	13.4
97.06535	21.2
97.10177	14.9
98.97528	1.5
98.98452	9.4
99.08080	4.1
103.05447	1.4
105.04423	1.4
105.06998	5.2
107.04913	4.2
107.08600	54.9
109.06464	3.8
109.10159	10.2
111.08051	2.2
113.05986	1.6
115.05479	1.4
117.07020	9.6
119.08586	11.4
121.06415	3.9
121.10134	9.3
124.92702	1.3
125.05930	1.5
125.09594	6.0
130.07761	2.0
133.10095	5.4
135.08011	2.2
135.11699	100.0
137.09578	3.5
143.08549	3.0
145.10141	15.3
151.11095	1.6
153.12657	3.1
157.10118	3.1
163.11198	15.1
169.10081	1.6
181.11043	1.3
181.12283	17.7
183.11588	1.7
195.11578	2.1
199.11394	2.0
199.13147	2.0
255.15825	87.6
255.24916	2.5
274.92188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01862	5.0
55.05517	26.8
56.96549	5.3
57.03438	46.7
57.07048	6.1
65.03914	3.2
67.05506	78.9
69.03419	3.1
69.06733	1.8
69.07075	28.3
71.01347	4.7
71.05016	9.6
71.08606	2.6
71.56741	2.7
72.08139	1.5
73.02943	2.0
77.03909	1.9
79.05495	73.0
81.03061	1.3
81.03429	11.8
81.07063	42.3
83.04985	22.7
83.08603	7.7
85.02900	3.3
85.06512	7.4
87.05516	1.7
91.04965	2.5
91.05483	32.7
93.07050	86.6
95.04977	10.2
95.08134	1.5
95.08606	15.8
97.02879	3.1
97.06534	24.4
97.10190	13.8
98.97556	7.5
98.98474	18.0
99.08072	3.1
105.07056	10.3
107.04974	12.2
107.08603	55.0
109.06504	3.2
109.10175	12.4
111.08051	3.8
112.99097	1.9
112.99869	1.6
115.05429	2.0
116.98600	5.3
117.07019	10.6
119.08575	12.5
121.06471	3.7
121.10146	14.3
123.11694	1.7
125.09601	6.5
126.47449	1.5
127.03902	2.0
129.06941	1.9
131.00163	3.1
131.08514	2.2
133.03497	2.8
133.10190	7.7
135.08018	5.6
135.11700	100.0
137.09578	3.7
143.08517	2.9
145.10141	21.9
147.11668	1.9
149.01173	2.8
149.05943	2.2
149.09615	1.7
153.12743	4.0
157.10085	3.5
158.99619	4.6
163.07495	1.5
163.11201	13.4
169.09979	1.5
169.15157	1.5
171.11630	2.5
177.00652	3.2
181.12254	18.5
199.14748	1.9
211.04546	1.7
223.13190	5.2
235.11688	2.5
235.16905	2.7
255.10234	4.5
255.15848	88.8
256.26346	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03931	4.0
55.01852	4.0
55.05513	24.8
57.03436	48.1
57.07051	3.6
65.03883	0.9
67.05505	72.9
69.03411	1.4
69.07066	24.7
71.01369	5.2
71.04993	7.5
71.10997	2.2
78.07156	1.0
79.05492	77.1
81.03417	11.5
81.07054	36.8
82.07365	1.2
83.04488	1.1
83.04981	20.5
83.08629	8.6
85.02904	1.7
85.06545	8.1
91.05479	26.4
93.07043	78.7
95.04961	7.7
95.08611	10.6
97.05926	1.4
97.06531	21.7
97.10172	14.7
98.98430	3.2
99.04438	1.7
99.08060	3.3
105.04488	1.2
105.07037	5.9
107.04989	4.4
107.08596	51.1
109.06499	2.8
109.10170	7.1
111.04411	1.1
111.08064	3.8
111.11713	1.6
117.07024	9.0
119.08579	11.5
121.06475	3.8
121.10152	11.7
125.09638	4.9
130.07831	1.2
131.08548	1.3
133.10144	6.5
135.08029	2.7
135.11691	100.0
137.09586	3.3
143.08537	2.2
143.89218	0.9
145.10124	18.7
153.12711	2.4
157.10248	1.1
163.11180	17.7
181.12238	18.5
191.10684	1.1
211.14786	1.0
223.13254	2.3
237.14610	1.1
255.15834	82.2
269.43378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03930	4.5
53.74094	1.7
55.01864	3.7
55.05511	28.5
56.96537	7.3
57.03439	45.3
57.07072	12.2
60.44731	2.0
67.05507	73.6
69.03413	2.7
69.07074	23.6
70.52115	4.0
71.01334	4.5
71.04966	7.8
77.03892	2.4
79.05496	72.8
79.46328	2.0
81.03429	11.8
81.07065	45.6
81.07533	1.8
83.04553	2.5
83.04974	27.0
83.08618	11.9
85.02872	6.9
85.06532	9.8
91.05489	32.3
93.07045	80.2
95.04968	8.8
95.08618	12.7
97.02869	2.7
97.05983	2.4
97.06523	22.3
97.09645	2.0
97.10174	16.3
98.98471	21.2
99.04416	1.9
99.08084	3.8
105.04508	3.2
105.06998	7.7
107.04916	6.2
107.08601	55.8
109.06483	8.4
109.10168	12.7
111.08042	4.9
117.07008	10.3
119.08566	12.6
121.06474	6.7
121.10143	15.3
125.09586	5.7
131.08527	4.3
133.10080	7.6
135.08064	2.3
135.11699	100.0
137.09593	4.4
142.07663	1.9
143.08507	4.7
145.06499	2.0
145.10132	19.6
153.09076	2.2
159.11589	3.4
163.11214	16.2
169.10083	3.0
170.99033	3.0
177.12686	1.8
181.08562	4.3
181.12218	16.5
187.11075	5.0
188.99974	2.1
190.42157	1.8
199.09604	6.8
205.12195	2.4
223.13387	9.8
237.14746	5.3
255.06296	2.8
255.15797	78.5
256.26245	5.1
276.31094	2.0
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
51.02356	1.9
53.03935	3.3
55.01851	5.8
55.05259	2.0
55.05509	23.5
57.03439	53.5
57.07070	4.8
65.03906	2.8
67.05506	74.6
69.03429	2.6
69.07071	21.0
69.32019	14.5
71.01341	6.0
71.05000	9.7
79.05494	70.9
81.03419	11.5
81.07063	33.7
83.04560	1.9
83.04987	24.9
83.08603	7.4
85.02872	3.6
85.06524	6.2
91.05486	28.4
93.07049	84.6
95.04980	8.8
95.08603	12.7
97.06020	1.9
97.06532	20.1
97.10172	16.5
98.98476	10.7
99.08076	3.8
105.07009	6.9
106.07681	2.0
107.04917	5.2
107.08597	54.3
109.06474	3.5
109.10126	7.7
111.08065	3.7
117.07034	9.5
119.08629	11.1
121.10146	15.6
125.09596	6.4
129.06941	2.3
133.10106	5.1
135.11694	100.0
137.09563	2.6
143.08559	2.9
145.10126	21.3
153.12682	1.8
163.11221	12.4
178.47871	2.1
181.08421	1.8
181.12248	17.7
191.10583	3.2
255.15840	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96502	0.2
52.06175	0.2
54.77199	0.2
55.01878	1.9
57.03439	3.0
59.04982	0.3
61.02929	0.7
69.03442	1.8
70.06580	0.2
70.74531	0.5
71.01337	0.9
73.02915	2.0
78.03444	1.3
80.05009	1.7
85.02898	2.1
87.04440	0.7
96.04513	0.7
97.02891	1.0
98.97579	0.4
103.03943	0.3
106.02921	6.0
110.07138	0.4
115.03925	1.5
119.01897	0.2
123.05556	100.0
124.03951	0.9
124.05880	0.3
133.04976	2.7
138.05540	1.2
141.78314	0.2
152.93509	0.3
190.98643	0.3
192.93051	0.3
214.03900	0.4
231.34918	0.2
232.04997	0.3
255.06299	1.0
255.09811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58386	0.2
55.01875	2.4
56.96567	3.7
57.03437	3.1
58.06568	0.3
59.04985	0.4
61.02922	1.5
69.03436	1.9
69.06010	0.2
69.07063	0.6
70.06588	1.2
70.58580	0.6
70.98121	0.4
71.01347	1.0
73.02915	2.2
73.04745	0.3
78.03455	1.2
79.05501	0.3
80.05016	2.0
80.49261	0.3
82.99860	0.4
84.08125	0.4
84.96040	0.3
85.02902	2.9
86.09715	3.3
87.04463	0.5
96.04501	0.5
97.02889	1.7
97.06539	0.7
98.97581	4.6
98.98670	0.3
100.02490	0.4
101.00885	2.5
102.48678	0.3
106.02927	6.1
110.07169	1.0
110.97575	0.7
113.03463	0.4
115.03928	1.2
116.98658	1.6
118.03541	0.6
119.01927	4.4
123.05556	100.0
124.03928	0.7
127.03935	0.5
128.98642	0.5
130.93257	0.3
131.01923	0.4
133.04968	2.4
134.99651	0.3
137.02975	0.4
147.03131	0.4
152.04964	0.7
156.07668	0.5
158.99794	0.3
161.05547	0.4
169.98763	0.5
172.97614	0.5
177.00914	0.3
186.04373	0.5
186.09766	2.1
187.99791	0.5
189.03642	0.4
203.05292	0.4
204.05431	0.3
204.10863	0.6
206.00844	0.6
207.96582	0.3
208.99686	0.6
213.03549	1.1
214.03842	1.5
214.09253	4.3
214.95471	0.4
219.01877	0.3
231.00385	0.7
232.05109	0.5
232.10304	8.2
232.96582	0.6
243.04871	0.3
243.55499	0.3
255.06544	0.4
255.09883	0.4
255.14604	0.4
273.03043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05507	1.1
56.96569	4.0
57.03436	5.5
61.02934	5.1
67.48956	0.9
69.03426	2.4
69.07088	0.9
70.06596	1.1
70.69887	2.9
71.01353	0.8
73.02914	4.4
78.03473	0.9
80.05005	1.2
85.02922	6.6
91.03951	3.2
93.05520	2.1
94.97273	0.9
97.02895	2.8
98.98502	1.9
100.99174	1.6
101.00884	1.5
106.02917	6.2
109.11789	0.9
110.07216	1.3
110.97576	1.0
115.03955	2.2
119.01927	2.1
123.05568	100.0
127.03943	2.8
128.98618	1.2
131.01913	1.5
133.04977	3.4
138.05531	2.6
144.99753	0.9
145.03522	1.2
145.04974	1.9
146.03627	1.7
163.04561	1.2
163.05911	1.1
164.04700	1.9
165.00941	0.9
184.34256	0.9
185.02885	1.2
190.98642	2.9
205.01971	0.9
208.99754	3.7
232.03622	1.8
255.06349	10.2
255.13292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	10.8
68.92854	8.0
70.19786	23.9
70.20197	19.0
110.62872	8.7
112.89610	87.5
170.48224	8.7
171.94188	9.4
195.74384	8.4
254.97510	38.2
255.00549	13.7
255.06291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51857	1.0
56.96557	2.2
60.04528	8.2
61.02929	6.7
61.04834	1.2
67.05511	1.1
67.28398	1.0
69.03422	2.9
70.06578	1.7
70.27186	4.0
71.01355	6.8
71.05000	2.2
75.04485	14.6
81.18041	1.3
84.08113	1.3
85.02927	7.0
87.04463	4.6
89.02410	2.2
91.05439	1.4
97.02885	2.4
98.97636	1.2
98.98442	1.9
103.03947	17.5
109.02872	1.3
120.08105	5.3
121.08480	7.4
127.03913	1.8
131.03391	3.5
145.05005	2.4
147.04401	1.1
155.62170	1.6
159.02901	42.1
164.62802	10.7
166.08644	2.6
167.08990	8.0
173.14157	1.8
180.13893	1.8
187.02408	2.6
210.14908	4.4
219.05006	100.0
253.22691	3.4
254.11981	1.5
254.17621	6.2
254.23039	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	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36573	0.2
55.01877	0.3
55.05518	2.0
56.05026	0.5
56.41895	0.3
56.96560	1.7
57.03414	0.4
57.07054	0.5
58.02953	0.6
60.04511	1.1
60.08144	0.3
67.05496	1.4
68.05032	0.6
68.79920	0.3
69.03412	0.9
69.07058	1.5
70.06583	1.5
70.14853	1.3
70.15201	0.3
71.04999	0.4
71.40724	0.2
73.02888	0.4
79.05494	2.5
80.05003	1.0
81.03421	0.5
81.07050	2.3
82.06559	0.8
83.04986	0.7
83.07346	0.4
83.08626	0.9
84.08144	0.9
85.02893	0.6
86.06070	0.5
86.09705	1.1
88.03981	1.2
90.05544	0.3
91.05470	2.2
93.07043	4.5
94.06560	1.0
95.08618	1.4
96.08124	0.5
97.02894	0.5
98.97569	2.0
98.98442	1.2
102.96826	0.3
104.10701	0.3
105.07033	0.9
107.08596	2.4
108.08125	2.7
109.08914	0.4
109.10151	0.8
110.09681	1.1
110.97622	0.4
114.05552	0.7
116.98651	0.3
119.04938	1.7
119.08558	0.9
120.08076	1.1
121.10154	0.9
122.09667	5.4
123.10462	0.4
123.11700	0.6
124.99999	1.1
126.05493	0.5
128.07091	0.4
129.52455	0.7
131.08591	0.4
132.06535	0.4
133.10123	0.6
134.09682	0.5
135.10634	0.4
135.11699	3.4
135.58878	0.3
136.11198	2.5
137.13181	0.4
138.05481	1.0
138.12776	0.3
138.52989	1.4
138.80115	0.3
140.07094	0.5
142.08630	1.3
143.00192	0.4
147.04404	6.8
147.11525	0.3
150.12788	2.6
151.13570	2.6
152.07053	0.8
153.07811	0.5
154.08626	0.9
154.12204	0.3
154.61339	0.3
156.03638	0.6
156.06529	0.4
156.10162	0.9
158.99606	0.6
163.03941	0.4
163.12723	0.4
163.61995	0.5
164.13074	0.4
164.14375	5.7
164.62761	0.9
166.08633	1.8
166.12256	0.3
167.03622	0.4
167.09453	0.3
168.10191	2.0
169.01747	0.3
171.03226	0.4
172.13318	1.0
177.00644	0.6
179.14282	0.4
180.10162	2.8
181.10947	1.6
182.11754	1.4
184.07347	1.1
189.00890	0.3
189.12868	0.4
200.12831	0.4
208.13309	1.9
208.16887	0.4
210.14888	100.0
211.15205	0.4
212.16447	5.9
213.07744	1.0
222.07596	0.4
224.57507	0.7
227.05838	1.1
233.08701	0.5
233.57861	2.5
236.16418	0.5
236.20029	1.4
240.09972	1.1
245.06902	0.5
245.64711	0.4
254.17511	54.4
254.20937	2.2
254.23209	1.0
259.21622	0.3
260.90146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
61.02929	5.4
62.06099	1.7
69.52502	8.2
71.01354	4.9
71.04987	1.4
75.04483	11.9
85.02912	4.2
87.04474	2.9
89.02409	2.2
95.08592	1.2
97.02921	1.4
98.21478	2.5
98.98454	2.2
103.03953	14.8
106.07488	1.2
120.08101	1.4
131.03435	3.8
137.41835	1.1
154.93080	1.0
159.02901	44.7
164.62766	3.4
185.11725	1.2
187.02454	3.8
219.05029	100.0
253.22827	1.7
254.08606	1.6
254.17473	9.2
254.23093	2.8
267.33569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
51.17857	1.5
53.03939	3.9
53.29423	1.4
55.01870	3.2
55.05515	67.2
56.96565	11.5
57.03426	5.2
57.07073	16.0
65.03909	1.9
67.05510	61.2
69.03423	1.8
69.07073	100.0
69.66853	5.0
69.67283	5.5
69.98134	1.9
70.07396	1.5
71.04997	8.6
71.08616	4.9
79.05062	2.2
79.05500	31.4
81.03423	4.5
81.07062	93.4
83.04983	7.7
83.08623	71.4
85.06554	12.0
85.10179	4.8
91.05486	24.5
93.07052	39.2
95.04957	5.3
95.08612	76.6
97.02840	1.7
97.06536	13.4
97.10178	48.8
98.97605	5.5
98.98473	84.3
99.08068	9.7
101.06014	2.5
105.07039	22.2
107.04957	2.3
107.08603	30.4
109.06513	10.4
109.10162	38.0
111.08076	9.9
111.11716	22.0
113.09617	2.9
116.98640	2.5
116.99487	1.8
119.08588	29.6
121.10155	41.4
123.08062	6.5
123.11720	16.5
125.09631	10.0
125.13252	8.4
127.07607	2.3
129.07007	2.2
131.08604	2.4
133.10141	29.8
135.11710	33.6
137.09627	8.3
137.13301	11.2
139.11211	9.8
141.09071	2.1
145.10036	2.0
147.08049	1.9
147.11687	23.9
149.13271	8.7
151.11191	13.4
151.14789	8.8
153.12727	6.4
155.10686	2.0
157.12288	2.4
158.13994	1.5
161.13255	18.4
163.14819	2.1
165.05721	1.8
165.12773	9.8
169.12280	2.2
174.99200	3.5
175.14871	8.7
179.14293	7.4
186.74315	1.8
189.11188	2.8
189.16391	2.9
191.17918	5.8
193.15862	2.2
193.19557	8.2
193.53688	1.6
197.11714	3.0
217.19531	43.1
221.15337	3.2
235.17038	9.4
235.20566	30.8
253.08746	3.0
253.11320	11.5
253.13977	12.3
253.18661	2.8
253.21487	40.4
259.66690	1.7
271.12262	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	253.18
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
54.26506	1.0
55.01867	1.8
55.05517	5.9
56.96560	8.9
57.03433	2.0
57.07067	3.5
62.03304	0.9
63.35410	0.9
67.05507	16.6
69.03432	100.0
69.07079	6.1
69.73196	3.2
69.73602	1.4
71.04993	2.0
78.68137	0.9
79.05495	10.3
81.03414	2.5
81.07064	19.7
83.04983	1.9
83.08614	4.6
85.06535	2.7
91.05491	15.1
93.07051	13.4
93.78490	0.8
95.04964	3.6
95.08614	11.0
97.02893	0.9
97.06543	7.0
97.10181	2.0
98.20692	1.0
98.98472	82.1
99.08105	1.1
105.07038	11.1
107.08612	10.0
109.06540	5.4
109.10159	8.3
111.08085	3.3
117.07012	1.2
119.08584	10.6
121.06525	2.3
121.10155	6.7
123.08076	5.4
123.11673	4.1
125.06051	1.1
125.09629	1.7
127.07448	1.0
129.07014	2.0
131.00175	1.7
131.08566	3.1
133.10147	22.5
135.11716	2.4
137.09604	2.9
137.13242	0.9
140.01050	0.9
141.05571	1.4
143.08522	1.1
145.10138	1.0
147.11688	5.9
149.01230	2.9
149.09642	3.7
149.13234	2.7
151.11197	6.7
157.10081	2.9
159.11641	1.3
161.09639	1.0
161.13274	1.0
165.12730	2.0
171.11635	1.1
173.13261	1.2
174.80829	0.9
174.99210	2.0
175.11179	1.6
175.14822	2.2
176.98961	1.5
179.10660	1.0
179.14378	1.5
189.12709	1.0
189.16368	3.2
193.12218	1.7
197.11713	2.2
199.14830	3.2
207.17451	2.9
212.10780	5.1
217.15990	5.2
221.11197	1.8
221.15439	1.5
230.07594	1.1
232.62000	1.9
235.16924	38.3
253.14165	2.1
253.16187	2.4
253.18068	3.7
253.22694	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	253.1799
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.03949	0.8
55.01872	3.5
55.05520	7.7
56.96570	6.9
57.03445	4.8
57.07077	2.5
59.04979	0.9
67.05508	22.8
69.03435	100.0
69.07069	9.0
71.04996	2.1
71.57284	0.8
73.06570	0.6
79.05497	14.9
81.03435	3.3
81.07062	26.1
83.04994	3.1
83.08626	5.6
85.06557	3.4
87.04416	0.8
91.05486	20.3
93.07054	16.1
95.04967	5.2
95.08622	13.9
97.06548	7.4
97.10206	2.5
98.98474	66.8
99.08124	1.3
105.07034	15.6
107.04976	2.0
107.08600	14.1
109.02898	0.9
109.06548	6.7
109.10164	11.3
111.04423	0.8
111.08116	3.6
112.99198	0.8
113.06034	0.8
117.07047	2.8
119.08596	13.4
121.06516	2.3
121.10171	8.1
123.08071	7.1
123.11745	2.9
125.05998	1.4
125.09639	1.8
127.07519	1.0
129.07028	1.7
131.00204	1.5
131.08603	3.4
133.10141	26.6
135.08128	1.3
135.11740	3.4
137.09636	5.0
140.01231	0.9
145.10146	1.5
147.08049	1.3
147.11707	5.6
149.01279	3.1
149.09682	3.4
149.13278	3.9
151.11224	7.2
155.10681	0.9
157.10175	2.8
159.11777	1.6
161.13272	1.4
163.11179	1.1
165.12738	1.7
167.02292	1.2
174.99210	1.4
175.11281	2.9
175.14882	2.6
176.98964	1.2
179.10716	1.2
179.14319	3.7
188.07054	0.9
189.16418	5.2
193.12328	2.3
197.11774	1.6
199.14783	4.4
207.17438	4.3
208.20906	0.8
212.10768	3.8
217.15892	5.4
221.11330	2.1
221.15459	2.7
225.14821	1.6
230.07813	1.0
232.62083	1.0
235.16940	43.0
241.12958	0.9
253.13939	8.8
253.16400	3.9
253.18562	4.0
253.22864	4.7
271.12125	0.8
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	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03948	1.0
55.01861	1.4
55.05517	6.6
56.96566	3.6
57.03443	1.0
57.07069	1.7
65.03947	0.7
65.10674	0.6
67.05170	1.0
67.05511	13.6
67.05874	0.9
69.03432	40.4
69.07075	8.7
71.04985	1.8
73.06566	0.6
79.05501	10.1
81.03419	4.1
81.07061	15.9
83.04993	3.1
83.08633	5.3
85.06554	1.3
91.05478	9.2
93.07052	10.3
95.04967	5.0
95.08608	12.6
97.02885	0.7
97.06538	4.1
97.10178	3.9
98.20714	1.1
98.98473	100.0
100.98920	1.3
105.03417	1.2
105.07031	7.2
107.08607	6.0
109.06542	2.4
109.10160	6.1
111.04485	0.6
111.08052	1.5
111.11708	1.5
116.99522	2.0
117.07019	2.3
119.08591	5.3
121.06519	1.8
121.10155	5.5
123.08062	3.1
123.11716	2.8
125.09660	1.7
129.07050	1.3
131.08568	2.7
133.10138	11.1
135.08090	1.5
135.11725	3.5
137.09618	2.0
137.13356	0.9
139.11232	0.8
140.01131	1.2
143.08656	0.9
145.10129	1.0
147.11697	4.2
149.09651	1.3
149.13309	1.7
151.11156	3.1
153.09114	0.6
157.10178	1.6
159.11728	1.0
161.13283	2.3
163.07678	0.8
165.12764	0.7
174.99228	2.6
175.11249	1.3
175.14813	1.6
176.98901	2.5
185.13287	1.1
189.00661	0.5
189.16403	1.8
193.12305	1.2
193.15991	0.7
197.11794	1.1
199.14752	1.3
200.06831	1.1
207.17502	2.0
212.06837	0.9
217.15910	1.8
217.19429	2.5
218.07750	0.9
221.15382	9.9
229.07558	1.9
230.07845	8.7
235.16940	15.2
235.20679	1.7
247.08580	1.2
248.08891	4.0
253.09372	1.1
253.17836	4.6
253.23111	2.6
263.10971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05482	1.1
56.96567	0.5
67.05486	1.8
69.03409	1.0
69.07057	0.6
69.47018	1.9
69.47435	1.4
79.05492	1.1
81.07053	2.6
83.08595	0.6
91.05476	1.4
95.08587	1.7
97.02919	0.5
98.21523	0.8
98.97569	0.5
98.97734	0.5
98.98464	9.3
102.53675	0.5
105.07030	2.5
107.08572	1.0
109.10145	1.1
117.03419	0.5
119.08562	0.9
121.10172	0.5
131.05710	0.5
133.10152	3.1
135.11731	0.7
137.78162	0.4
145.02846	1.7
147.04413	1.3
151.11194	0.5
161.09560	0.8
177.05496	2.9
197.11784	0.7
212.38110	0.5
231.08887	1.1
235.13156	0.7
253.14125	100.0
253.22784	2.3
271.13910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01882	1.1
55.05498	1.2
56.96568	3.2
57.03442	2.8
57.07075	0.9
59.05003	2.8
60.04531	1.7
61.02923	2.2
67.05515	2.1
69.03441	7.9
69.07076	1.0
69.75522	2.9
70.06606	4.0
70.98119	0.9
71.04996	1.7
72.08162	1.8
73.02927	1.2
73.06561	100.0
79.05494	1.1
80.05046	0.8
81.03429	1.9
81.07064	2.8
82.06571	0.6
83.08614	0.8
84.04514	2.4
84.08144	4.2
85.02911	26.9
86.09713	2.6
87.04482	1.2
88.99135	0.6
91.03986	1.2
91.05491	1.1
91.07603	6.5
93.07038	1.4
94.06585	0.7
95.04992	0.7
95.08630	2.0
96.08141	3.3
97.02909	5.7
97.06509	1.0
98.06094	0.7
98.97662	1.8
98.98474	52.6
99.04482	1.2
102.05568	0.7
105.07023	1.0
109.02907	2.3
109.10173	0.7
110.07189	2.5
116.98695	1.3
116.99507	0.7
119.04959	1.3
119.08650	0.8
120.08146	4.1
121.10139	0.7
123.04445	0.9
124.07579	0.6
127.03923	4.2
129.10280	2.6
134.06035	1.3
136.06256	0.8
136.07610	2.4
136.45418	0.5
139.09625	0.7
141.05469	1.2
145.04961	3.7
147.04459	1.6
150.05482	0.5
152.07112	2.1
152.14378	0.5
158.99698	0.7
163.62062	1.1
164.62718	0.6
166.08655	0.9
172.13420	0.9
174.99199	1.3
176.99017	1.0
178.15930	0.8
197.11751	1.8
208.20633	1.5
236.20113	1.3
253.12210	2.9
253.14413	0.6
253.15836	0.6
253.18347	0.6
253.22783	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	252.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05515	0.6
56.96566	0.3
57.03450	0.5
59.35535	0.3
67.05510	0.4
69.07097	0.4
69.25901	1.9
69.26305	0.5
70.06601	0.8
74.02444	0.5
79.05500	1.3
80.05009	0.3
81.03411	0.3
81.07066	3.5
84.08153	0.9
86.06110	0.4
86.09719	1.5
88.03995	1.6
91.05491	3.3
93.07074	0.3
94.04069	1.0
97.98350	0.3
98.06072	1.7
98.97589	0.6
98.98473	1.0
103.05472	1.1
103.48447	0.3
104.03483	0.2
105.07018	0.3
107.04982	0.7
116.03469	0.4
118.06559	1.7
119.03524	2.6
119.04958	1.1
120.08114	13.9
129.10258	0.8
134.04492	1.5
136.06195	100.0
137.04593	1.1
146.06026	2.3
147.04401	3.3
148.04680	0.3
149.09622	0.4
170.11813	0.3
188.07092	2.5
192.06596	0.4
206.08153	8.6
222.08353	0.4
231.08855	0.9
231.59006	0.5
234.07506	0.5
234.11086	0.5
234.13503	16.5
252.14543	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	253.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	17.0
55.05502	1.9
56.96555	1.8
57.03439	11.8
57.07078	1.9
67.05497	1.8
69.03419	2.4
69.07063	1.6
69.71339	5.3
70.06583	1.7
71.04994	1.8
73.02891	0.9
75.04493	6.4
79.05479	3.0
80.06267	1.0
81.03401	1.8
81.07077	4.8
84.04529	1.2
84.08103	1.3
85.02881	1.7
86.09705	1.6
87.00813	1.3
91.05484	22.0
93.07028	2.8
95.04961	2.8
95.08593	1.1
97.02879	1.2
97.08907	1.6
98.06033	0.9
98.97556	1.9
98.98471	27.9
103.05462	4.4
104.05746	1.0
105.07037	11.5
107.04960	2.1
107.08602	1.5
109.10120	1.2
110.09666	2.0
115.05468	2.0
118.04165	3.8
119.04955	29.2
119.06848	1.8
119.08573	2.2
120.08108	15.8
121.06468	1.4
121.08453	24.3
121.10108	0.9
123.04436	2.5
131.04895	1.6
133.06499	11.7
133.10104	4.0
135.04379	1.2
136.05176	3.7
136.06178	8.9
137.04604	11.9
137.06496	6.4
137.09560	0.9
146.03650	10.9
146.05957	1.7
147.04416	61.8
147.06142	5.5
147.11786	0.9
151.07472	1.7
151.11171	0.9
161.05986	47.4
163.03886	2.1
164.04701	9.9
172.08260	1.0
177.05429	2.6
178.15945	1.3
179.07040	100.0
189.07433	5.7
197.11766	1.3
203.07117	1.2
205.08664	1.3
206.08101	1.8
207.08482	22.8
208.20613	1.5
217.08679	2.1
224.20166	1.0
235.09802	2.1
235.13641	2.4
236.20152	1.3
253.10826	8.2
253.14891	12.6
253.22771	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
56.96561	0.9
57.03439	0.7
67.05505	0.6
69.07060	0.8
70.02936	0.7
70.06593	1.2
70.71255	1.6
71.04990	0.6
73.02918	0.6
78.35605	0.5
79.05495	1.7
81.07047	1.3
83.04952	0.6
84.08170	0.7
85.02921	0.5
86.09706	0.9
87.00816	2.7
91.05495	1.7
93.07051	2.2
97.02917	0.6
97.06563	0.6
98.06063	1.2
98.20908	0.7
98.97604	1.5
98.98470	2.1
103.05474	7.1
104.03466	1.3
106.06588	0.8
107.04952	2.6
118.06543	10.4
120.08109	100.0
126.05499	0.6
128.04976	1.4
128.98637	0.6
131.04924	1.5
136.06192	18.3
137.25041	0.5
146.06021	16.9
147.04433	1.2
149.01207	0.6
158.99583	0.5
164.07057	1.1
166.08661	2.2
170.99699	0.7
177.00729	0.7
188.07066	16.4
189.00780	0.7
192.06503	2.6
206.08133	73.1
211.07283	1.0
216.06505	0.7
220.07819	0.9
220.16318	0.8
234.07642	2.5
234.13516	1.8
252.09140	1.4
252.14287	8.1
252.19492	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	251.2006
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03953	1.9
55.05508	5.3
57.07057	0.7
59.05009	1.1
65.03929	1.4
67.05508	42.6
67.24472	0.7
69.03436	0.9
69.07069	4.2
69.90548	3.8
73.06528	0.9
78.12510	0.8
79.05500	15.1
81.07059	100.0
83.05000	1.3
83.08622	2.6
85.06551	2.1
91.05476	4.1
93.07048	12.4
95.05055	0.9
95.08612	70.0
97.06520	1.2
97.10175	1.2
98.98470	31.1
99.08138	0.7
105.07031	3.3
107.08595	7.5
109.06538	1.5
109.10159	30.3
111.08099	0.8
111.11682	0.7
119.08562	5.7
121.10142	11.5
123.08067	2.5
123.11705	7.0
125.09631	1.2
131.08562	4.7
133.10139	3.7
135.08029	1.6
135.11688	10.7
137.09613	4.2
145.10141	6.9
147.11656	0.8
149.09627	2.0
149.13309	1.2
155.10684	1.0
159.11676	4.1
161.13231	1.1
163.11244	3.4
167.10716	1.1
169.12309	1.0
173.13274	2.3
174.99162	1.2
175.14842	1.5
177.12866	1.0
177.16411	4.2
181.12161	0.8
191.17970	1.3
195.13809	1.0
197.76144	0.7
201.16391	18.6
219.17458	13.7
251.20056	24.4
251.61461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
53.48060	0.4
55.05529	1.0
56.96579	1.3
67.05517	0.7
69.03431	0.6
69.07076	0.9
70.02971	0.7
70.06612	0.6
72.08150	0.3
78.15381	0.3
79.05516	1.0
81.07052	1.7
84.01567	0.5
84.04522	0.6
84.08154	1.3
85.02916	0.5
86.06070	0.5
86.09721	0.7
87.00826	3.5
91.05502	1.3
93.07050	2.7
94.04076	0.6
95.08616	0.5
97.02915	0.8
98.06052	1.7
98.20777	0.9
98.97597	2.1
98.98495	2.1
103.05472	6.2
103.06052	0.6
107.04939	0.7
110.09712	0.4
110.97552	0.4
116.98619	0.4
117.03373	1.1
118.06551	10.2
119.01891	0.4
119.03601	0.5
119.04977	0.5
120.08108	100.0
121.10143	0.6
123.80385	0.3
127.03896	0.4
128.02368	0.4
128.04967	1.4
129.10258	0.5
131.00163	0.9
133.10191	0.4
136.06189	37.9
145.02802	2.1
146.06009	18.3
147.03133	0.9
147.04387	1.2
148.07559	0.5
149.01228	0.9
149.05956	0.6
156.02483	0.4
156.03664	0.9
162.20439	0.4
164.85042	0.4
166.08658	2.2
167.43130	0.4
171.06720	0.6
177.05466	3.0
179.48695	0.4
180.07248	0.8
186.87679	0.4
188.07065	17.4
192.06570	1.3
206.08128	69.0
211.07175	1.3
216.10342	0.4
220.07784	0.4
222.08305	0.6
229.00800	0.4
231.08798	1.3
234.07600	2.0
234.13368	5.5
252.09380	3.0
252.14476	23.5
252.19621	1.6
252.23041	0.7
252.59467	0.5
253.22708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Deodardione
Peak:m/z	Relative Intensity
51.63687	0.4
53.03946	0.9
55.01861	1.2
55.05511	6.7
56.96572	2.8
57.03408	0.6
57.07071	1.0
58.58438	0.4
59.04985	1.8
67.05507	5.3
69.03427	1.7
69.06722	0.8
69.07072	10.3
69.33940	0.7
69.34348	2.8
71.04987	1.8
73.02894	0.5
77.16612	0.4
77.70499	0.3
79.05491	6.3
80.33430	0.4
81.03404	1.0
81.07063	9.9
83.04984	10.0
83.08598	1.7
85.02924	1.0
85.06559	0.7
91.05482	4.5
93.07049	21.9
95.05014	2.0
95.08040	0.7
95.08610	7.7
97.02889	0.6
97.06537	2.9
97.10156	0.9
98.97582	4.5
98.98471	31.6
100.02505	0.5
105.07036	7.0
107.04956	0.8
107.08598	5.6
109.02824	0.6
109.06519	2.3
109.10156	3.0
110.97561	0.4
111.04443	11.4
111.08051	0.7
111.11066	0.6
111.11713	2.8
112.99149	1.0
113.06024	0.5
116.98631	1.4
116.99458	0.6
117.07011	0.7
119.01827	0.4
119.04907	0.6
119.08594	3.5
121.06534	0.9
121.10146	35.3
123.04416	0.5
123.08041	2.1
123.11705	1.3
124.99052	0.4
125.06002	0.6
125.09638	1.2
127.03899	0.6
129.06989	0.9
131.00194	2.1
131.08560	1.7
133.07593	0.6
133.10118	1.8
135.08066	0.7
135.11693	1.6
137.09682	1.0
137.13263	0.6
139.11211	3.0
145.10138	2.4
147.03204	0.4
147.04402	2.0
147.08080	0.6
147.11702	3.2
149.01241	1.7
149.09625	14.3
149.13249	0.8
156.03648	0.6
157.10132	0.6
158.99655	1.5
159.08084	0.7
159.11765	0.6
163.11201	1.4
167.10681	100.0
168.58783	0.4
173.01244	0.8
173.09669	0.5
173.13300	1.5
173.56946	0.4
174.99246	1.8
175.11177	0.9
175.14919	0.5
177.00647	0.9
177.09087	0.7
179.06456	0.6
187.14877	1.0
189.12688	0.6
191.02190	0.5
191.14314	0.7
202.64034	0.5
205.06293	0.8
205.15938	0.4
214.06711	0.5
215.14334	0.8
215.18031	0.6
219.08301	0.5
230.08118	0.9
231.08772	0.8
233.15273	2.6
233.18961	1.3
242.14473	0.6
244.99715	0.8
251.08571	11.2
251.12685	3.3
251.16405	13.4
251.20070	1.9
260.09244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03939	6.2
53.87948	1.7
55.01854	6.7
55.05518	15.0
56.96574	9.7
57.03430	6.2
59.04983	2.0
65.03939	4.6
67.05509	55.2
69.03430	1.9
69.07077	16.5
70.23717	3.4
70.24102	3.5
71.04981	8.5
79.05500	66.3
81.03421	11.6
81.07064	70.8
83.04969	7.8
83.08617	6.8
85.06556	4.0
91.05487	74.8
93.06487	2.4
93.07056	40.3
95.04984	20.3
95.08613	35.7
97.06548	3.9
98.98475	100.0
100.03561	2.0
103.05457	6.3
105.07037	66.6
107.04961	20.7
107.08609	17.0
109.06528	16.9
109.10181	17.3
115.05453	3.3
117.07014	22.3
119.08591	48.6
121.06518	11.8
121.10150	11.4
123.08074	6.4
123.11686	4.3
125.09566	2.0
129.07014	8.2
131.08580	45.7
133.06467	6.8
133.10170	10.6
135.08055	6.6
137.09631	3.8
141.06964	5.4
143.08514	3.2
145.10123	13.3
147.08046	4.8
147.11719	2.7
149.09605	4.1
155.08566	5.4
157.10136	2.1
159.08142	2.7
159.11678	5.4
163.11183	3.8
167.00099	1.9
169.10182	5.4
171.11682	9.9
173.11885	2.1
173.13277	8.5
174.99237	5.3
180.86667	2.1
187.11203	3.5
187.14833	11.1
196.64493	1.8
197.13240	12.0
205.15886	7.2
213.08022	3.4
213.40256	1.9
215.14351	10.9
225.07730	1.8
231.09143	2.6
233.15396	53.1
233.18964	2.1
251.09508	3.8
251.16423	20.7
251.19978	8.2
269.10519	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	251.1644
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03942	2.0
55.01864	1.7
55.05518	5.1
56.96553	3.2
57.03418	0.7
57.07081	6.7
59.04994	2.6
67.05511	7.8
69.03439	3.8
69.07081	6.9
71.04996	69.1
71.29974	1.0
71.30322	0.8
79.05492	6.3
81.03408	2.7
81.07063	10.6
83.04991	12.5
83.08620	5.1
85.02935	0.9
85.06532	1.4
91.05499	5.4
93.07051	10.4
95.04975	15.8
95.08619	10.6
97.06539	12.0
97.10139	1.1
98.98472	63.0
99.04427	1.2
105.07040	8.5
107.04940	2.0
107.08601	10.6
109.06497	3.0
109.10146	5.6
111.04457	0.9
111.08072	2.0
113.05988	3.5
116.98690	0.8
116.99488	1.5
117.07012	2.9
119.08570	7.8
121.06525	3.5
121.10142	17.3
123.08078	6.8
123.11689	4.7
125.06000	41.6
125.09603	1.4
129.07014	1.5
130.07780	1.0
131.08568	6.2
132.30939	0.7
133.06468	0.7
133.10141	4.0
135.08083	3.6
135.11717	4.5
137.05981	1.4
137.09615	3.0
143.08575	1.4
145.10143	8.5
147.08029	1.7
147.11658	3.5
149.09634	9.4
149.13264	1.1
151.07565	9.1
151.11183	1.7
153.09152	1.0
155.01855	0.8
155.10683	1.0
157.10066	1.7
159.11720	2.0
161.13335	1.1
163.11189	53.7
165.09148	1.3
165.12726	1.2
167.10707	1.2
169.10089	0.8
171.11742	0.9
173.03032	1.3
173.13278	2.2
174.99246	3.3
175.11211	2.5
177.09099	5.3
181.12244	25.3
187.14877	2.2
189.12762	2.4
191.14351	1.9
193.12210	3.1
195.10143	2.2
197.13287	1.0
205.15947	1.6
207.13855	1.1
215.14302	4.2
233.15372	13.9
233.18962	1.5
239.01932	0.7
251.12770	5.7
251.16449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
56.96563	6.3
57.03432	3.0
58.99868	2.1
59.92570	0.8
61.02929	13.8
62.19848	0.8
66.01982	0.8
69.03428	6.2
69.95093	3.3
70.06606	1.8
70.98109	1.1
70.99860	3.0
71.04995	0.9
72.08154	1.5
73.02913	5.2
74.06087	1.3
79.05520	0.8
81.03401	1.3
82.01446	28.0
85.01429	2.0
85.02908	10.7
86.99297	0.8
87.04479	1.6
89.00868	1.4
91.02467	1.2
91.03957	1.1
97.02890	12.4
98.97572	6.3
98.98465	12.7
99.04479	1.6
100.02480	37.7
101.00902	2.9
103.00592	1.1
103.02477	2.8
104.05334	1.3
105.02184	1.7
109.02914	1.4
111.02968	1.6
113.00870	1.0
113.02394	1.1
115.02416	1.8
116.07076	1.0
116.98586	1.9
117.02081	1.1
117.02936	1.4
118.03526	8.9
119.01882	4.7
126.98772	11.4
127.03922	3.3
128.98615	2.6
131.00195	2.1
131.01907	1.7
133.03465	18.0
133.04393	1.5
135.03215	3.5
138.05511	2.2
139.04190	7.6
143.01930	2.1
144.99837	17.5
145.01581	1.0
145.03415	1.0
145.05003	1.6
146.99669	1.4
147.01430	1.3
147.03174	1.8
148.04750	18.2
148.54886	1.3
149.01244	2.5
149.02901	1.0
150.00432	2.3
151.04541	4.3
154.98251	5.8
157.02487	1.5
158.99640	1.4
159.01379	1.9
159.05032	1.1
159.55559	1.5
161.05609	8.3
163.00885	1.1
163.02731	1.7
168.01434	12.3
168.99889	1.1
169.55475	1.2
170.03398	1.6
170.06149	2.0
172.99332	37.6
173.02910	1.2
174.99275	1.0
175.00948	1.4
175.02824	1.2
175.04539	3.8
176.93501	6.0
177.00877	1.8
177.02469	7.3
177.99825	5.4
178.65076	0.9
182.03157	1.6
187.00890	5.8
187.04567	2.6
189.00830	1.3
189.04340	2.7
191.00404	12.6
191.02115	1.6
191.03882	2.1
196.00925	100.0
198.02783	1.3
198.05571	1.7
200.04257	1.2
205.00206	1.7
205.01950	7.3
205.03780	1.6
208.99707	1.8
210.02524	3.6
212.02681	1.0
212.05309	5.5
214.01962	29.5
217.05602	1.2
219.02348	3.5
219.07198	2.6
223.03009	1.8
228.03523	53.9
233.03200	2.1
242.06281	4.1
245.03575	2.1
246.04582	5.1
251.04921	2.8
251.07809	2.1
254.50816	1.0
269.03586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03931	0.9
55.01871	3.4
55.05507	1.0
56.96568	3.1
57.03422	0.8
67.05510	3.7
67.73107	0.5
68.05019	1.9
69.03415	1.9
69.07047	1.5
70.02942	0.5
70.06319	0.4
70.06594	4.7
70.20854	1.5
71.04991	3.2
71.45827	0.5
72.08159	0.7
78.09738	0.4
79.05496	11.7
81.03407	0.6
81.07059	38.5
82.06578	0.7
83.04994	0.6
85.02879	1.0
86.99237	0.5
88.07610	1.6
91.05468	2.2
93.05779	0.5
93.07038	3.6
94.06567	1.6
95.04947	2.1
95.08599	2.1
96.08112	2.2
96.08903	0.4
97.02888	1.1
97.06552	0.5
98.21392	0.7
98.97590	2.9
98.98484	3.3
99.08064	0.7
100.07592	0.5
105.07031	1.2
106.06525	1.1
107.04919	1.4
107.08580	1.6
108.08111	0.7
109.05795	0.9
109.06520	16.6
109.07257	1.0
109.10149	1.0
110.65536	0.5
112.07635	1.0
114.05534	2.1
116.98605	1.0
117.07014	0.9
118.06520	0.8
119.08566	1.6
120.08066	1.2
121.10124	0.9
122.06034	10.4
124.07573	0.7
128.07045	0.8
131.00142	0.6
133.10146	1.1
134.09647	2.1
134.99643	0.5
135.08040	1.1
135.11734	0.6
136.07571	1.2
137.09627	0.7
140.07066	39.6
142.08609	4.3
148.07576	1.6
148.11183	1.1
150.06198	0.5
153.04205	0.9
158.99634	0.8
162.09100	1.0
164.07039	1.8
168.06567	30.1
176.14355	1.7
177.00737	0.8
178.08653	0.6
180.06602	2.9
180.10159	1.7
189.04214	0.5
199.06090	0.6
204.13870	7.0
213.07924	0.7
222.14935	2.6
232.13353	0.8
250.14392	100.0
250.21371	3.8
261.66650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05511	0.6
57.03435	0.8
60.04525	0.3
61.02926	0.5
66.64575	0.3
69.03424	1.8
70.06598	2.3
70.47932	0.7
72.08155	0.5
81.03426	0.5
84.08098	0.3
85.02908	13.1
88.07636	100.0
97.02896	2.3
98.97569	0.4
98.98495	0.5
99.04447	0.4
104.50590	0.3
109.02871	1.9
110.09708	0.4
127.03928	2.2
136.06210	1.2
144.35394	0.3
145.04976	1.3
147.04393	0.3
160.67401	0.3
168.14645	0.3
188.12860	0.3
232.11803	0.3
250.12971	2.0
250.21664	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	250.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
55.05511	0.6
56.96561	0.9
57.03439	0.5
57.07063	0.3
57.82270	0.2
67.05479	0.4
69.03429	0.5
69.07066	2.9
69.89191	1.2
70.06604	0.7
71.04975	0.2
72.08151	0.4
73.06552	0.4
76.41182	0.2
79.05497	0.9
80.29942	0.2
81.07063	1.1
84.08132	0.6
85.02916	0.4
86.09700	0.6
88.07617	0.4
91.05452	0.5
94.04053	0.3
97.02856	0.4
97.06545	3.1
98.97617	1.4
98.98441	0.8
107.04958	1.7
108.44019	0.3
110.03487	0.3
110.09709	0.4
110.97551	0.5
112.87309	0.3
116.05787	0.5
117.07796	0.2
119.03516	1.4
120.08092	0.3
128.98630	0.3
134.09634	0.3
135.03033	0.5
136.06186	87.5
137.04602	0.8
137.05952	0.6
138.05301	0.5
143.04904	0.4
144.05260	0.9
147.04427	1.4
148.04779	0.3
152.05676	5.5
153.04034	0.5
162.06319	0.5
170.99628	0.3
172.04764	0.5
174.07762	1.1
175.07588	0.3
176.07875	0.9
177.05363	0.3
183.03061	1.5
189.00723	0.3
192.03674	0.6
204.07414	1.8
209.01601	0.4
218.05348	0.3
229.07257	0.8
232.11852	0.7
233.11641	0.7
250.12987	100.0
250.21510	2.9
251.13266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45601	0.2
55.05520	0.3
56.96576	0.8
57.03446	0.7
61.02944	0.2
61.68988	0.2
64.97726	0.2
67.01546	0.2
67.01866	1.0
69.03445	0.6
69.07067	0.3
70.06596	0.8
71.35642	0.4
71.36015	0.2
72.08163	0.5
73.02931	0.2
81.03456	0.2
81.07061	0.6
82.07423	0.2
85.02906	1.6
88.07091	0.4
88.07638	8.8
90.68530	0.2
91.05519	0.4
94.04077	0.3
95.49046	0.2
96.04514	0.2
97.02914	0.7
97.06561	0.3
97.08902	0.3
98.97591	1.0
98.98466	1.5
109.02856	0.2
110.07199	0.2
110.09701	0.4
110.97524	0.3
116.98608	0.3
118.06564	0.2
119.03539	0.6
123.11689	0.2
127.03912	0.2
128.98630	0.2
134.09663	0.3
136.06195	100.0
136.70096	0.2
137.04613	0.4
140.42145	0.2
147.04436	1.1
148.04721	0.3
158.99673	0.3
161.01205	0.3
163.50587	0.2
176.07845	0.2
177.00731	0.2
179.11789	0.4
185.02898	0.2
204.07368	0.5
204.10059	0.3
219.01816	0.2
232.08217	0.3
250.09352	18.1
250.12810	2.2
250.19363	0.4
250.21661	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	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
57.03435	0.7
61.02926	0.8
61.39363	0.2
69.03432	2.3
70.06258	0.5
70.06611	2.4
71.12572	0.2
72.08155	0.4
81.03431	0.7
85.02906	14.1
88.07633	100.0
97.02898	2.0
99.04461	0.3
109.02877	1.6
115.03917	0.3
127.03930	2.5
136.06218	0.9
145.04965	1.3
202.44467	0.2
216.83495	0.2
250.12982	1.1
250.21657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02372	0.6
53.03948	5.9
55.01876	0.8
55.05502	2.9
59.04998	0.5
60.30854	0.4
65.03932	1.2
65.70948	0.3
67.05507	25.7
67.30904	0.3
69.07072	3.3
73.06570	0.8
77.03917	2.4
79.05495	35.8
81.03403	0.8
81.07058	10.5
83.04989	0.9
83.08615	1.4
83.26215	0.4
85.06561	2.6
91.05485	39.5
93.07046	100.0
95.04970	6.9
95.08607	7.9
97.06526	1.0
97.10157	0.8
99.08102	1.3
101.06001	0.5
104.39625	0.4
105.04539	3.1
105.07030	7.2
107.08597	18.6
109.06501	0.6
109.10149	3.3
111.08107	0.6
115.07581	0.8
117.07011	4.0
119.06107	0.5
119.08579	10.7
121.06529	0.9
121.10146	32.1
123.08086	0.9
128.78484	0.4
129.07030	1.8
131.08559	5.4
133.10136	14.1
135.08090	3.5
135.11696	7.0
137.09651	1.9
143.08589	2.1
145.10173	2.0
145.11198	0.5
147.08171	0.5
147.11671	1.2
149.09644	1.4
151.11176	2.5
157.10121	3.2
161.09645	0.6
167.10666	1.1
171.11722	2.2
173.13260	1.6
175.11182	0.8
175.14832	6.4
189.12756	1.5
189.16391	4.8
199.14830	9.7
217.15919	7.3
248.93494	0.5
249.18520	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03949	6.9
55.01874	1.1
55.05510	4.8
56.96548	0.8
57.07080	0.6
59.05010	1.1
61.98507	0.5
65.03935	1.5
67.05508	25.6
69.03410	0.6
69.07073	4.8
69.42141	3.0
69.42551	1.2
72.13174	0.6
77.03931	2.1
79.05496	39.5
81.03412	1.2
81.07059	12.2
83.04967	1.2
83.08640	1.5
85.06545	2.5
91.04895	1.3
91.05484	43.1
93.07047	100.0
94.54816	0.5
95.04979	7.0
95.08034	1.1
95.08611	10.8
97.06533	1.6
97.10168	1.0
99.08091	1.4
101.06020	0.6
105.04526	2.3
105.07033	9.0
107.04961	1.5
107.08604	21.3
109.06542	0.9
109.10160	2.5
114.03531	0.5
115.07549	0.6
116.58532	0.5
117.07006	3.6
119.08589	10.5
121.06527	1.4
121.10150	33.8
123.08064	0.7
129.07051	1.8
131.08578	5.3
133.06491	0.7
133.10136	15.5
135.08075	3.5
135.11702	7.5
137.09630	2.1
139.11263	0.6
143.08572	2.7
145.10126	2.0
147.08026	0.8
147.11688	2.1
149.09633	1.6
151.11185	2.7
157.10152	3.6
157.38147	0.6
161.09615	0.6
161.13170	0.6
171.11676	2.0
173.13284	2.1
175.11203	1.0
175.14824	7.2
189.12825	1.4
189.16389	4.1
199.14839	9.4
203.14325	0.8
217.15891	8.5
231.13879	0.9
233.15329	1.0
249.14813	2.0
249.18512	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02374	1.3
53.03949	6.4
55.01873	0.9
55.05508	3.8
56.96582	0.6
59.04987	0.8
65.03946	1.5
67.05508	23.9
67.50388	0.6
69.03436	0.9
69.07073	3.1
71.07979	1.1
73.06567	1.2
77.03936	1.6
79.05494	34.8
81.03439	1.1
81.07058	11.5
83.04977	1.2
83.08624	2.3
85.06543	2.2
87.26654	0.5
91.05486	42.9
93.07047	100.0
95.04974	6.7
95.08604	7.0
97.06482	1.0
97.10159	0.7
99.08081	1.5
105.04521	3.2
105.07031	8.7
107.04987	0.7
107.08601	18.8
109.06492	1.3
109.10163	2.2
115.05494	0.5
115.07568	0.6
117.07060	2.9
119.08588	10.6
121.06514	1.3
121.10148	31.0
123.08083	1.1
129.07013	2.0
131.08560	4.1
133.10133	13.8
135.08066	3.7
135.11699	7.3
137.09624	1.3
143.08543	2.5
145.10147	2.6
147.08096	0.5
147.11671	1.1
149.09665	1.8
151.10121	0.5
151.11179	2.8
153.09119	0.6
157.10146	3.5
161.09618	0.5
167.10707	1.3
171.11751	2.4
173.13263	1.9
175.11307	1.1
175.14862	5.8
178.33159	0.5
182.91589	0.5
189.09099	0.5
189.12730	1.6
189.16415	3.9
199.14830	9.0
217.15891	8.4
249.14767	1.3
249.18513	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	249.0759
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
55.01864	0.7
56.63651	0.7
66.60390	0.6
69.03443	1.5
69.51598	4.3
81.03419	1.5
85.02889	2.3
86.59803	0.6
87.00829	1.1
91.05473	1.6
97.02888	1.2
98.97589	0.9
99.04433	1.0
103.29831	0.6
105.07024	3.6
108.75175	0.6
115.05462	26.4
117.07042	3.2
119.04951	2.5
127.03893	1.4
131.04961	1.1
131.50687	0.7
132.05705	2.1
133.06461	2.1
136.06189	1.1
137.05978	1.2
143.04933	55.1
144.05687	1.2
145.06503	2.1
146.03648	5.3
147.04448	5.0
147.07982	0.7
160.05183	13.4
161.06000	24.9
171.04422	34.1
173.05916	0.7
175.07567	53.3
177.09184	0.7
179.07053	2.3
188.04710	2.2
189.05478	11.7
189.07068	1.1
203.07047	100.0
217.04956	14.9
221.08122	5.4
231.06522	1.3
249.07607	76.7
250.08020	0.6
265.07077	0.6
267.03848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	7.7
54.69756	2.1
55.01871	10.6
55.05515	20.6
56.96583	14.3
57.03418	3.8
57.07075	5.5
59.04991	10.2
65.03927	4.0
65.69489	2.1
66.60670	2.1
67.05180	2.9
67.05509	50.0
69.03426	5.0
69.06725	3.3
69.07069	37.5
69.61234	14.5
71.04988	8.5
73.46056	2.1
76.76428	2.3
77.31927	2.3
79.05497	82.0
81.03448	11.1
81.07063	72.4
83.04968	8.2
83.08617	13.4
85.06528	7.9
91.04909	2.6
91.05480	53.6
93.07046	100.0
95.04974	23.5
95.08608	49.4
97.06534	15.2
97.10168	5.0
98.97621	3.1
99.08115	2.0
105.04515	3.4
105.07037	35.4
106.46967	2.2
107.04946	8.3
107.08602	78.1
109.06524	71.7
109.10162	50.8
111.04419	4.1
111.08087	5.0
111.11725	5.7
113.09698	2.7
117.07041	7.6
119.08586	33.7
120.05612	2.2
121.06508	7.0
121.10149	61.4
123.04446	3.2
123.08071	13.2
123.11727	13.4
127.11163	4.5
129.06985	6.8
130.07848	2.9
131.08578	15.0
133.06496	3.9
133.10126	29.3
135.05916	2.5
135.08073	24.0
135.11693	36.6
137.05986	3.5
137.09628	6.0
143.08559	10.0
145.10138	14.1
147.08060	6.5
147.11699	15.1
149.09639	7.7
149.13269	5.7
151.11166	12.5
153.09058	2.9
153.12726	5.3
157.10165	17.3
158.10866	3.8
159.11699	5.7
161.09581	6.6
161.13261	4.7
163.11116	3.3
171.11711	9.6
173.13272	17.3
175.11183	10.0
175.14842	8.3
179.10728	3.2
185.04742	2.8
185.13300	3.4
189.09010	4.3
189.12688	6.3
189.16393	4.6
191.14270	3.0
193.12190	3.5
199.14868	3.3
203.05942	6.8
203.14381	4.1
203.17940	3.4
205.15923	2.5
207.13887	3.6
213.16367	13.5
217.15822	6.0
226.11163	3.4
231.13832	6.4
231.17470	16.4
231.21016	3.2
244.12183	2.8
249.14830	17.8
249.18521	78.2
249.22061	15.5
267.09073	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	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
58.18530	0.2
65.30682	0.1
67.63783	0.2
69.07075	0.2
71.28582	0.3
71.72879	0.2
85.58514	0.2
89.32298	0.1
95.66938	0.2
98.97597	0.2
107.08585	0.2
112.99048	0.2
117.05809	0.3
118.06548	4.7
132.08083	2.2
133.08841	0.5
134.09669	0.5
144.08076	0.4
145.08841	0.2
146.09662	1.7
146.61893	0.2
160.11215	0.7
174.12766	0.7
176.14352	11.1
190.08641	10.1
191.09354	0.3
202.15903	1.7
203.16614	0.8
204.10208	5.7
205.11031	1.6
206.11819	0.4
218.11757	3.9
219.12514	0.2
232.13426	0.3
248.16467	100.0
249.16707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79920	3.7
56.96573	9.3
61.02928	4.9
68.62623	3.4
69.03433	6.9
69.90497	19.2
70.06590	35.9
73.02921	4.9
76.97231	4.0
85.02915	14.8
92.70283	3.9
94.93025	33.4
97.02924	5.6
98.21511	4.4
98.97585	30.8
108.23797	4.4
108.68198	3.9
110.31837	4.4
110.97604	6.3
116.07107	50.7
116.98666	6.0
127.03962	5.6
128.98631	8.7
131.53394	7.0
137.53401	5.4
143.00134	4.1
158.53900	11.3
167.54457	34.2
168.04639	5.1
168.65453	4.8
170.99655	6.0
172.02896	10.2
176.55009	10.6
176.60912	4.4
182.99677	5.4
190.03906	6.2
201.00700	9.2
206.88638	9.8
214.03926	15.9
232.04947	23.6
248.89728	10.4
249.03723	100.0
261.02872	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	248.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00513	0.7
51.54842	0.5
55.01868	1.0
55.05516	0.7
56.42333	0.7
56.96571	28.1
57.03441	1.6
61.02924	4.9
69.03435	2.4
70.06581	2.6
70.16106	2.5
70.16502	1.4
70.98125	2.8
71.04984	0.7
71.95269	1.6
72.96046	2.1
73.02923	1.5
74.06067	0.9
81.03416	1.2
83.01662	0.7
83.97641	1.0
84.08145	3.7
84.96013	1.8
85.02901	4.2
86.09715	6.8
87.10044	0.9
88.99146	1.8
90.02419	1.0
91.02375	0.8
92.03476	0.7
97.02892	2.6
97.06553	0.9
98.97591	100.0
101.00880	3.2
102.00970	1.9
110.02111	1.4
110.97578	1.8
112.99045	0.7
115.02480	1.2
116.00238	1.0
116.07121	0.7
116.98631	40.8
117.01865	2.7
117.02883	0.7
119.01907	3.7
119.02681	1.6
120.02025	3.0
121.01662	1.0
125.01876	0.9
125.02661	4.7
126.02265	1.7
126.03497	1.5
127.03959	1.2
128.98592	2.4
129.10233	0.9
130.05074	1.0
130.08684	1.7
130.98608	0.7
131.00233	0.8
131.01878	0.8
132.01846	0.8
133.01665	0.8
133.03484	1.4
134.01375	0.9
134.99680	8.6
137.00853	4.2
137.02876	0.7
138.01656	0.8
139.02374	0.9
139.77850	0.7
140.00221	1.7
140.03830	2.2
142.05435	2.2
143.01923	1.3
144.01645	1.2
144.03368	0.9
145.03473	0.8
146.01378	3.7
146.99675	2.0
147.01398	1.1
149.02950	0.9
150.01645	1.3
152.01373	1.6
153.02219	1.6
154.03893	2.8
157.03473	0.7
158.01401	1.3
158.04901	1.8
158.99680	1.6
159.02164	4.3
160.06471	5.1
161.02995	1.4
162.02994	0.9
165.00833	1.0
165.02165	1.5
167.01892	3.2
170.04919	1.6
171.03326	4.9
171.04645	0.8
175.00928	1.7
176.02522	0.9
177.02382	1.3
179.01860	3.3
180.02701	1.0
181.03438	1.0
183.04987	1.2
188.00992	1.3
188.02464	11.8
188.04219	1.1
188.05978	3.2
189.00693	1.5
189.02608	1.1
189.04355	9.5
197.03049	5.4
202.02501	1.3
202.07460	1.4
202.54070	0.8
206.07011	8.4
207.01746	0.8
207.05370	3.3
212.05917	0.9
212.07706	1.0
216.00499	0.9
217.02013	1.1
219.01675	1.0
223.01294	0.8
224.08089	7.1
230.07022	41.8
230.13718	0.9
231.05406	2.1
245.05119	0.8
248.05865	2.8
248.08090	57.1
248.15028	2.5
266.09171	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2059
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.84651	0.8
53.03934	2.7
55.01867	3.0
55.05272	1.0
55.05515	13.7
56.96557	3.7
57.03438	4.9
57.07085	4.0
60.21813	0.9
65.03932	2.2
67.05508	43.6
69.03422	2.5
69.07070	12.7
70.35699	0.7
71.04990	3.3
71.57025	1.3
77.03881	1.2
79.05499	33.4
81.03406	3.1
81.07062	100.0
82.75478	0.8
83.04976	4.0
83.08617	4.7
85.06533	3.4
91.05486	18.7
93.07050	27.3
95.04978	6.7
95.08610	23.2
97.06522	3.2
97.10181	2.4
98.98482	14.2
99.08073	2.0
104.99274	3.2
105.07045	14.6
105.76662	0.7
107.04944	3.3
107.08604	23.0
109.06528	34.5
109.10170	8.5
111.08041	1.1
117.07029	6.9
119.08588	14.4
121.02873	2.6
121.06517	4.0
121.10149	18.4
123.08104	4.6
123.11711	10.5
125.09614	2.0
126.97031	1.0
129.06999	1.6
131.08577	12.2
133.10156	10.5
135.08064	6.9
135.11676	9.0
137.09650	5.0
137.13292	2.0
143.08501	0.9
145.06404	0.9
145.10133	11.6
147.11703	7.2
149.09679	3.9
149.13277	10.5
151.11186	2.9
157.10089	1.7
159.08057	1.4
159.11711	7.8
161.13289	4.9
163.11266	4.0
163.14850	4.3
165.12729	2.7
169.05135	1.7
171.11790	1.0
173.02084	3.1
173.09616	0.9
173.13286	7.0
175.14868	3.0
177.12752	3.2
177.16530	0.8
179.14287	1.7
187.14803	4.4
189.16336	1.5
191.14317	2.6
197.13171	0.9
201.00684	1.6
201.12805	1.1
201.16406	2.0
203.18045	1.3
205.15881	1.2
205.19638	1.4
211.14767	1.2
215.06474	0.9
219.17334	1.0
219.21022	1.3
229.12076	1.1
229.15921	1.1
229.19553	14.4
247.05791	1.4
247.13304	2.4
247.16968	7.4
247.20586	78.3
259.13675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03938	4.4
55.01867	5.8
55.05518	11.7
56.96557	5.3
57.03429	3.8
57.07081	9.9
59.04990	3.9
65.03935	1.8
67.05513	24.9
67.12569	1.8
68.71030	1.9
69.03425	8.6
69.07069	14.4
70.68562	3.2
70.68889	2.6
71.05003	3.2
73.70245	1.8
79.05498	14.7
81.03414	5.1
81.07071	24.1
81.18829	1.6
83.04975	10.4
83.08608	3.8
85.02902	2.2
85.06544	11.7
91.05491	30.8
93.07046	33.3
95.04979	26.0
95.08615	37.0
97.02881	2.4
97.06529	3.5
98.97580	2.3
99.08138	2.3
105.00163	1.7
105.07041	38.4
107.04954	3.4
107.08602	40.0
109.02877	3.5
109.06523	23.7
109.10161	18.5
109.92026	1.5
111.08108	1.6
115.05434	4.0
117.07013	16.8
119.04956	3.4
119.07805	3.2
119.08591	46.4
121.06516	9.4
121.10163	36.8
123.08057	6.7
123.11703	4.8
125.09632	3.2
128.06264	3.5
129.07036	10.6
130.07814	11.3
131.08574	27.6
133.06477	2.3
133.10136	24.6
135.08064	25.5
135.11687	8.0
137.05945	2.7
137.09627	5.2
139.11197	3.8
141.07005	3.5
142.07776	2.5
143.08559	9.4
144.09363	6.0
145.06462	3.9
145.10136	75.3
145.11284	4.0
147.04420	5.4
147.08049	30.1
147.11684	15.5
148.04692	3.0
149.09633	24.0
151.11212	3.3
153.09064	2.7
155.08629	9.1
156.09328	4.6
157.10168	8.3
158.07263	2.9
158.10910	2.7
159.08063	8.1
159.11691	35.5
161.09622	10.0
161.13278	7.8
163.07533	4.4
163.11198	13.6
163.14763	2.1
165.09103	1.9
169.10124	10.2
170.10947	2.8
171.11707	13.5
172.08789	2.7
172.12445	2.4
173.09630	29.7
173.13264	10.4
175.14908	3.5
181.10155	5.0
183.11678	5.1
185.13277	10.2
186.10422	3.0
186.14099	3.1
187.07515	3.7
187.11224	14.4
187.14870	9.4
189.12721	9.2
191.10710	16.0
193.21188	2.0
194.12587	2.3
196.12476	5.3
199.11198	8.1
201.00768	1.9
201.04294	4.4
201.12711	5.1
201.16400	20.6
203.14426	3.9
205.15747	3.4
211.14818	16.6
212.13647	3.9
214.13528	12.3
217.08467	2.6
229.12439	2.3
229.13750	2.6
229.15910	63.2
247.09709	6.8
247.13054	5.2
247.16943	100.0
247.20692	3.3
247.24280	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	247.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37471	0.5
59.73437	0.4
60.08169	66.7
63.38023	0.4
69.75913	1.7
69.76319	1.0
91.05483	0.8
115.05434	1.3
117.07022	1.6
118.06555	28.2
142.06519	2.2
143.07315	3.1
144.04456	0.6
144.08095	16.7
146.06021	76.8
160.07605	0.6
170.06012	6.1
188.07082	100.0
244.71599	0.5
247.14461	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	246.1449
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
56.96563	7.4
57.03433	2.3
58.47963	1.6
60.05633	2.2
61.02937	1.8
69.03429	3.9
69.07069	60.3
70.02956	20.4
70.06582	12.7
71.56156	2.0
72.08159	12.6
73.02911	3.8
73.04053	2.2
73.06550	4.8
75.05619	8.3
79.05497	2.3
81.03462	2.5
84.04513	8.4
84.08153	20.7
85.02911	7.3
85.04020	20.1
86.09709	92.3
87.05592	84.2
88.04008	3.0
96.04507	3.6
96.08147	4.0
96.97746	1.6
97.02859	3.0
97.06537	6.2
98.02427	26.2
98.97572	3.4
105.93433	1.7
109.06487	2.5
110.02403	70.2
110.09675	2.6
113.10765	49.1
114.05569	2.9
114.48802	1.8
115.05032	2.8
124.03970	12.3
124.11163	1.8
129.10234	5.4
130.05035	2.9
130.08647	3.5
132.10225	26.4
138.09131	4.0
141.10226	98.1
143.11810	31.0
143.12912	2.4
147.04442	2.2
147.11287	3.0
155.11809	8.6
156.10207	3.0
156.13811	2.4
164.63713	3.1
166.08644	100.0
169.09746	10.1
170.11765	9.2
171.11282	6.3
173.01208	2.5
173.06551	1.8
175.11813	3.0
183.11288	15.5
184.09709	2.3
187.10780	74.1
200.13977	35.3
201.12212	3.0
202.10767	8.5
202.14336	2.2
211.10744	13.0
212.09186	99.1
225.07098	2.9
228.13509	8.7
228.15660	2.1
229.11809	66.7
246.14658	12.6
246.18330	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	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83472	0.6
55.05496	1.1
56.96567	1.0
57.07070	0.6
58.80881	0.6
67.05499	4.7
69.03429	0.7
69.07072	6.5
69.90569	2.6
70.06593	0.8
71.04996	1.8
75.04471	0.6
79.05448	0.6
81.07079	3.4
83.08638	0.7
85.06553	0.8
91.05492	1.4
93.07053	1.5
95.04965	6.2
95.08607	5.9
96.36216	0.6
98.21482	1.1
98.97595	1.2
105.07039	1.4
107.08625	1.2
109.10159	100.0
109.84049	0.6
111.11771	0.7
119.04957	1.1
119.08602	4.5
119.80803	0.6
121.06525	1.8
123.11723	14.3
127.11199	42.2
131.12007	0.8
133.10135	5.4
135.11658	1.0
137.09608	9.3
139.07538	1.2
143.08522	1.1
147.04419	4.0
151.11166	3.6
155.10674	7.1
161.09616	7.4
167.03484	0.7
168.03769	0.7
169.12274	1.4
173.11732	8.3
179.10680	22.3
181.05885	0.7
183.13838	2.1
186.93732	0.6
197.11737	55.9
208.18178	0.6
208.20287	0.7
211.13286	18.9
229.14340	5.4
246.09387	0.9
246.15050	1.3
246.18411	0.9
246.24577	0.9
253.13446	0.6
259.07227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.9
70.45935	2.8
72.08153	4.3
80.23726	0.7
82.99841	1.7
83.04681	0.8
84.08126	0.8
86.09718	3.8
88.03986	0.9
91.87997	0.8
101.00893	9.7
103.00639	0.9
104.10750	2.1
113.00839	1.1
115.02478	1.0
119.01924	11.7
121.01657	1.5
126.98752	1.3
131.01910	2.7
132.10225	1.3
133.03476	2.4
137.02991	1.2
148.06081	1.3
161.03009	1.2
168.99852	2.6
173.02930	1.1
175.02672	0.9
178.43582	0.8
187.00887	5.4
187.02385	1.4
196.99321	1.7
201.02281	1.2
201.12390	1.5
215.00349	7.5
229.03215	27.5
233.05130	0.8
247.04286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
52.36378	0.2
54.03011	0.2
56.05046	0.2
56.56900	0.2
56.96564	0.8
57.03448	0.5
57.05822	0.4
58.06583	0.2
63.87934	0.2
66.37675	0.2
69.03421	0.4
69.07072	8.9
70.06609	0.3
70.84243	0.3
70.84553	0.3
70.85316	0.2
73.02911	0.5
83.31729	0.2
85.02911	0.6
86.09710	100.0
91.05535	0.2
97.02901	0.4
97.06540	0.2
98.97593	2.0
104.77147	0.2
105.51259	0.2
110.97623	0.4
115.03979	0.2
116.98653	0.9
119.20224	0.2
130.06566	0.4
132.10201	1.7
134.99677	0.3
141.02240	0.3
153.02229	0.3
157.07605	0.5
158.06122	0.3
164.13539	0.5
171.03253	1.1
189.00775	0.3
189.04410	0.8
193.54718	0.3
199.08698	0.3
199.18130	0.9
201.37392	0.3
204.06609	0.6
213.07039	1.7
222.07596	0.5
245.18614	6.4
253.22792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	Ile Ile
Peak:m/z	Relative Intensity
56.63732	0.3
56.96555	0.4
57.03415	0.5
58.60917	0.3
60.04468	0.4
69.03417	0.6
69.07059	0.5
71.20946	0.4
71.21262	0.3
71.67963	0.3
72.49834	0.3
81.03452	0.4
85.02915	1.2
86.09708	100.0
97.02888	0.3
98.97559	0.4
124.14548	0.3
132.10208	3.3
146.12558	0.5
147.04417	0.6
155.13071	0.5
161.22795	0.3
164.13632	1.3
199.18037	1.8
245.18620	8.0
253.22868	0.8
261.59775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93679	6.1
56.96572	10.6
60.03894	6.0
69.29237	8.5
69.29642	54.5
73.72051	7.1
82.99870	7.1
86.06017	7.9
94.93014	9.2
98.97599	8.1
101.00883	58.1
104.10751	100.0
105.11084	14.8
107.88122	7.6
112.05085	18.7
113.00842	8.3
113.03490	10.7
113.05442	9.5
116.98610	8.9
119.01934	58.2
124.95497	7.2
131.01883	17.2
143.01918	34.9
145.03476	22.5
147.23799	6.9
155.01947	42.1
157.03474	16.7
161.02924	43.2
163.17934	5.8
167.01915	18.1
169.03528	7.5
171.50415	6.6
173.03014	23.3
185.02960	69.7
186.39117	10.2
187.04648	7.6
188.97020	8.2
197.02998	28.9
199.04633	7.0
203.03983	26.1
213.24889	6.7
227.03970	12.7
245.00589	14.2
245.05066	48.2
263.71793	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99849	0.3
68.98275	0.5
69.03413	1.1
71.57522	0.3
72.93766	0.3
79.27288	0.2
81.03404	0.6
82.99811	1.7
84.99601	0.3
86.99349	0.6
90.94823	0.5
94.99851	0.3
97.01431	0.5
97.02883	1.4
98.97567	0.8
99.04443	0.7
101.00886	16.3
102.00967	0.9
102.96886	1.5
103.00663	2.6
105.00394	0.4
113.00867	1.9
115.02425	0.8
116.98567	0.3
119.01923	25.1
119.75580	0.3
120.02015	2.7
120.97929	0.8
121.01680	4.7
121.02479	0.3
127.02388	1.0
127.03899	1.2
129.00339	0.3
129.03969	0.7
131.01910	5.1
131.05539	0.4
133.03461	2.2
136.99677	0.6
137.00818	0.3
137.02969	2.9
138.03046	0.3
138.78992	0.3
138.98943	0.4
139.02545	1.2
141.03905	0.3
142.03493	0.8
142.98640	0.8
143.01901	14.7
143.03590	0.6
145.03474	4.6
147.01401	0.9
149.02977	0.5
149.06606	0.5
149.96123	0.4
155.00752	0.5
155.01889	3.3
157.03484	9.2
159.01523	0.7
159.05075	0.5
160.99670	3.4
161.02960	31.7
162.03107	0.8
163.04506	0.8
167.01915	1.5
167.97215	0.3
167.99420	0.3
169.03473	1.2
171.05093	0.5
172.97818	0.4
173.02969	6.2
175.02992	0.5
175.04536	7.9
177.00955	0.7
177.02565	0.6
177.09705	0.7
178.01027	0.8
179.00696	18.8
179.03944	1.7
180.04199	1.2
181.03528	0.3
184.04572	0.6
184.99586	0.6
185.02969	13.5
187.04527	3.2
189.06114	0.5
191.03992	2.4
197.03036	2.5
198.05956	0.3
199.00789	0.4
199.04510	1.7
203.00887	2.5
203.04004	14.6
203.11330	0.5
209.02872	0.4
213.31776	0.3
215.03983	4.2
217.02081	0.3
217.05659	1.5
219.01942	0.7
219.03902	2.6
220.02136	0.6
221.01775	23.3
221.04849	2.1
222.01871	1.2
226.05499	0.3
227.00539	1.9
227.04012	4.3
233.05099	2.8
239.98474	0.4
245.01859	11.2
245.05064	27.5
245.12318	2.6
261.03076	0.8
263.02881	100.0
264.03085	0.9
265.03314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13403	1.1
55.01866	2.2
56.96567	27.4
57.03422	3.7
58.99862	2.1
61.02907	4.6
68.05003	1.8
68.98298	3.2
69.03407	5.1
70.06607	8.3
70.28759	4.6
70.29096	1.1
70.98109	3.2
70.99844	4.5
71.95288	6.3
72.08130	4.6
72.96026	2.5
73.02895	3.5
77.00871	1.4
81.03404	2.9
82.99818	10.2
84.04506	2.1
84.08141	5.9
84.96028	3.1
85.01391	1.3
85.02882	5.2
86.06078	6.7
86.09666	3.7
86.99311	2.5
88.03918	1.2
89.00894	2.5
92.76537	1.3
94.10345	1.2
97.01399	2.3
97.02890	9.0
98.97589	30.5
100.11256	3.1
101.00881	79.0
102.00948	1.8
103.02457	3.8
104.10757	5.8
105.00360	1.5
105.11097	1.5
109.02889	2.1
110.97591	1.8
112.05102	10.1
113.00880	14.6
113.03496	24.8
113.04721	1.7
113.05452	8.7
115.02438	7.6
116.07101	2.4
116.98636	12.3
119.01925	100.0
120.01942	1.4
124.02415	1.6
124.95501	6.0
125.00893	1.4
127.02400	9.6
127.03920	3.8
127.53350	1.1
128.98601	1.9
129.00327	1.9
129.03964	4.3
129.10205	2.2
130.05017	1.5
130.08615	1.4
131.00180	3.0
131.01035	2.1
131.01917	23.2
133.01680	1.6
133.03479	14.4
134.99644	3.3
137.00864	2.9
137.02965	8.3
139.02390	6.0
141.02225	1.5
141.03990	1.9
142.03474	2.3
142.96552	6.1
143.00206	2.1
143.01917	40.1
143.03033	2.2
145.01662	2.2
145.03465	33.2
146.03491	1.7
146.99690	1.8
147.01360	4.5
147.05011	1.7
149.01204	5.7
149.02930	2.4
151.04507	2.4
152.12212	1.2
152.94922	1.4
153.03966	1.9
154.54852	1.8
155.00645	2.1
155.01898	38.8
157.03473	31.7
158.03590	1.7
158.99628	1.4
159.03174	1.4
159.05014	7.5
160.97542	1.9
161.02962	63.9
162.03055	2.1
163.02623	1.6
163.04497	7.1
167.01923	23.5
169.03488	7.1
170.96098	6.1
171.01414	2.3
171.05045	9.5
173.02971	38.7
173.04478	2.0
174.03105	1.5
174.99144	2.7
175.04524	16.9
177.02426	2.5
179.01883	11.4
179.03986	1.7
184.04546	2.8
184.97569	2.9
185.02963	95.9
187.04527	17.3
188.97058	18.6
189.00734	2.3
189.02374	1.4
189.06041	1.9
191.03957	4.3
193.00211	3.8
197.02957	31.2
199.00883	1.9
199.04568	3.6
202.98712	6.9
203.02283	3.0
203.04005	36.0
205.05560	2.4
206.98088	7.7
208.04549	1.6
215.03998	12.5
217.05634	6.0
220.99707	3.8
221.03328	1.6
221.05077	13.9
222.05260	3.6
227.04001	10.8
227.10147	2.1
230.98245	2.6
231.03488	5.6
233.05034	3.3
240.06314	3.4
245.05057	87.3
245.11522	3.5
263.03436	1.9
263.05899	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	244.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01876	6.6
55.05509	9.7
56.05033	4.3
56.96569	42.8
57.03440	21.0
60.04526	5.0
61.02932	21.6
64.82108	2.0
67.05500	8.5
68.05038	4.1
68.98291	2.2
69.03433	49.1
69.07063	4.9
69.76657	12.3
70.06595	70.3
70.98123	6.5
71.01360	2.1
71.05001	5.1
71.95274	3.0
72.08163	64.7
72.93770	3.7
72.96033	2.3
73.02930	13.1
73.06551	2.4
74.06077	4.0
77.00892	2.0
78.26800	2.2
79.05498	4.6
79.94382	2.1
80.05034	11.4
81.03429	22.6
81.07072	4.3
82.06584	6.9
83.04979	4.1
83.07365	7.2
83.08633	2.7
84.01597	2.8
84.04496	11.8
84.08154	70.2
84.96037	6.3
85.02913	100.0
86.06067	4.9
86.09707	18.1
87.04463	9.6
88.03986	3.6
90.94823	2.6
91.03958	6.1
91.05492	7.7
93.05791	2.5
93.07054	5.5
94.06581	10.1
95.04977	2.6
95.06078	4.7
96.08141	28.2
97.02898	45.0
97.06534	2.7
97.96822	5.3
98.06072	11.8
98.97596	60.3
99.04465	7.2
100.07629	7.9
100.11278	17.7
100.99168	3.0
101.00900	18.8
101.10798	4.1
102.00959	2.6
102.05549	3.4
102.96889	4.1
103.03899	2.6
105.07043	3.2
107.04962	3.1
108.08162	3.3
109.02890	9.7
110.06044	2.6
110.07167	2.5
110.09689	9.1
110.97581	7.1
111.10431	2.7
112.04342	4.9
112.05098	64.8
112.07607	6.2
112.08759	4.5
112.99136	3.5
113.00859	5.5
115.02388	4.0
115.03904	4.2
115.08718	3.4
115.97791	3.2
116.07095	7.8
116.98631	29.3
117.02014	1.9
117.59682	2.4
118.01113	3.5
118.11261	2.4
119.01925	45.6
120.02000	4.8
120.08163	3.2
121.01615	2.1
121.06503	3.9
122.09730	5.2
123.04485	2.5
124.11246	2.3
126.10995	20.7
127.02471	3.0
127.03944	26.7
128.02321	3.4
128.07095	2.8
128.98604	7.6
129.10248	20.9
129.52094	2.1
130.04999	2.5
130.08641	7.1
130.11247	7.6
131.00194	5.5
131.01900	10.2
131.12039	4.1
133.01817	2.6
133.03526	3.0
134.09612	2.4
134.99689	11.4
136.06166	2.9
136.11223	12.5
137.02959	8.2
137.05968	5.3
138.12872	2.5
139.02426	5.1
140.07048	2.4
140.10762	2.1
142.03551	3.2
143.00183	6.5
143.01894	12.1
145.01691	4.4
145.03481	7.0
145.04990	12.6
145.11761	17.2
146.99677	7.2
147.03189	5.0
147.11302	4.9
149.01259	6.6
149.06059	2.4
150.12781	5.9
152.07016	2.3
153.55914	2.3
154.03764	4.9
154.04861	3.4
154.12273	13.6
155.01845	14.8
155.04657	9.2
156.03595	9.2
156.53844	4.5
157.03484	8.6
157.99048	4.8
158.01198	2.2
158.08098	6.2
158.99677	12.8
160.95386	2.4
161.01254	2.9
161.02980	20.1
162.03505	1.8
162.99068	5.0
163.02740	6.2
163.04404	9.5
163.12820	40.4
164.05251	2.0
167.01837	3.0
170.99641	3.5
173.01598	2.5
173.02997	15.0
175.02698	2.1
175.04605	3.0
176.00099	2.4
177.00742	9.8
177.04138	4.5
177.05504	3.6
178.15982	3.3
179.04057	8.0
180.17525	6.8
182.03362	2.7
184.02885	3.8
184.04669	2.5
185.02972	10.0
185.98473	3.3
186.04579	3.7
188.97110	13.1
189.00713	2.8
190.05502	3.0
190.98715	3.2
191.02315	2.9
191.03995	9.3
192.17476	2.7
197.03044	4.3
198.05960	2.2
200.04387	3.0
201.00699	3.1
202.01343	5.5
202.04005	5.0
202.98674	3.6
203.02339	5.0
203.04033	12.0
205.05606	2.9
206.98193	5.7
209.12881	2.7
209.16444	4.2
211.98813	2.2
217.05496	4.2
219.01898	5.5
220.02097	2.9
220.99706	6.0
221.03259	5.4
221.05110	24.0
221.20134	2.6
223.05469	4.7
226.15532	2.5
227.11487	3.7
227.13924	7.0
234.18492	3.3
237.02759	4.4
239.06129	26.1
244.02652	8.1
244.04668	4.7
244.06473	12.0
244.09918	2.8
244.13979	4.5
244.16605	39.1
244.20242	14.9
245.05125	5.9
251.21208	36.3
262.07736	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	244.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.2
57.99920	0.2
64.54241	0.2
69.39941	1.4
82.99862	0.7
83.99924	0.3
98.21502	0.3
98.97590	0.7
99.40652	0.2
99.97896	0.4
100.02409	0.2
101.00887	6.8
102.00958	2.9
113.14892	0.2
116.98670	0.5
117.98931	0.6
118.63314	0.2
119.01929	12.4
120.02003	4.1
121.01666	0.3
124.02480	0.4
131.01877	0.2
134.99783	0.2
136.00002	0.5
137.02975	1.5
138.03061	0.4
140.98865	0.3
141.98909	1.3
142.03499	1.6
143.01881	0.5
157.03435	0.3
158.31764	0.2
158.99889	0.6
159.99976	4.0
160.04492	0.2
160.99643	0.2
161.02965	4.0
173.02904	0.3
176.03162	0.3
177.00961	3.2
178.01057	16.8
179.00694	1.5
179.04024	3.4
183.99942	1.2
184.04507	0.6
185.02957	0.4
200.03075	0.3
201.00977	0.3
201.02684	0.3
202.01060	3.1
202.05560	0.3
203.00629	0.4
203.03981	0.4
218.04211	2.9
219.01991	1.7
220.02142	21.7
221.01746	4.3
221.04977	0.4
226.00992	2.3
229.98636	0.2
235.00887	0.6
238.98421	0.3
243.03728	0.3
244.02133	11.4
244.95049	0.2
245.01794	0.3
245.05106	0.5
261.02811	0.3
262.03217	100.0
263.02890	5.2
264.03683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
50.57749	1.2
53.03944	2.9
55.01870	3.0
55.05514	16.1
55.71931	1.2
56.96559	2.4
57.03431	5.9
62.06444	1.4
67.05503	17.6
69.03425	5.5
69.07068	7.0
70.80485	2.7
70.80860	2.8
71.04987	4.0
73.87415	1.3
79.05499	16.1
79.65630	1.4
81.03419	67.7
81.07059	23.2
83.04987	23.0
83.08618	21.3
85.02890	8.1
85.06573	1.5
91.05485	22.3
93.07040	11.2
95.04967	25.5
95.08616	8.3
97.02879	3.5
97.06536	3.8
97.10166	5.9
99.08143	1.7
105.07030	17.2
107.04969	3.8
107.08594	5.7
109.06509	5.0
109.10182	3.9
111.08073	15.1
113.05986	1.4
119.08587	15.1
121.06539	1.5
121.10176	6.5
123.08062	2.0
123.11674	1.7
126.82765	1.5
129.07030	8.1
131.08580	8.4
133.06554	1.6
133.10152	7.4
137.09665	1.7
142.07787	3.1
145.10135	2.0
146.85425	1.2
147.08043	2.6
147.11699	14.8
149.09633	6.8
157.10146	13.7
160.95303	1.3
165.12770	3.4
175.11186	19.3
193.10439	3.0
193.12253	90.2
211.13301	100.0
225.14854	17.4
243.20961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
52.00583	1.7
53.03945	1.8
55.01876	9.3
55.05515	13.9
56.96560	3.6
57.03432	6.1
57.07065	5.5
67.01511	1.6
67.05176	2.1
67.05508	28.8
69.03454	2.2
69.07065	15.1
69.59593	3.1
69.59995	8.6
71.04982	7.0
71.08633	2.6
73.06543	2.4
73.61057	1.7
79.05486	18.9
81.03416	11.3
81.07056	99.5
82.02026	2.0
83.04987	14.0
83.08604	10.8
85.06538	5.7
91.05477	27.6
93.07038	14.2
93.07533	1.9
95.04964	7.1
95.08605	21.5
97.06553	10.1
99.08060	1.9
105.06385	3.4
105.07030	38.5
107.08600	15.6
109.06497	6.2
109.10149	3.2
111.08041	2.6
115.07579	1.8
117.07026	1.9
119.08577	33.1
121.10161	19.9
123.08060	5.6
123.11713	26.2
127.07567	1.9
129.07014	3.5
131.08549	5.6
133.10123	8.2
137.13261	6.2
138.26024	1.8
141.09065	2.8
145.10123	3.8
147.11693	100.0
157.10101	5.1
165.12759	81.0
175.11150	6.6
193.12254	28.5
197.15358	14.9
211.13258	13.1
229.14371	2.7
243.09000	2.1
243.17514	3.4
243.19476	4.1
243.21564	3.0
243.28773	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	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
55.01872	10.3
55.05516	9.2
57.03432	4.4
59.05003	1.4
63.01921	1.4
65.03923	1.9
67.05173	1.9
67.05508	26.3
69.07069	13.7
69.89500	4.8
69.89920	2.8
71.04986	3.5
72.99646	1.2
79.05504	17.0
81.03412	2.1
81.07061	100.0
83.04971	6.5
83.08630	9.7
85.06535	5.4
88.97957	1.5
91.05486	31.6
93.07046	12.9
95.04989	2.8
95.08610	21.1
97.06557	9.7
99.08115	3.5
101.06053	1.5
105.07040	43.6
107.08590	17.9
109.06512	5.4
119.08588	33.6
121.10156	21.6
123.08089	5.1
123.11721	34.3
127.03848	1.4
127.07573	1.6
129.07048	2.6
131.08568	1.5
133.10149	5.1
137.13252	4.8
141.09103	2.0
142.07875	1.4
147.11696	99.8
148.05682	1.5
151.11263	1.7
157.10135	5.5
165.12762	89.2
175.11205	6.6
193.12267	18.2
193.13838	1.6
197.15361	15.5
211.13306	3.7
220.61678	1.4
225.14879	4.0
229.14377	8.4
237.27390	1.3
243.15863	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	243.1594
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.18554	1.4
53.03950	5.4
55.01870	7.9
55.05262	2.2
55.05516	30.4
57.03440	6.3
57.07077	3.2
59.05007	24.1
60.20578	1.7
61.02922	3.7
65.03952	1.9
66.56893	1.5
67.05511	57.5
69.03428	4.4
69.07067	19.7
70.02647	7.4
71.01331	2.2
71.05000	44.3
71.30433	1.7
79.05064	2.4
79.05502	49.3
81.03429	33.2
81.07063	67.7
83.04979	15.7
83.08623	13.8
85.02921	4.8
85.06537	13.0
87.04476	7.7
87.08108	1.9
91.05488	63.6
93.07055	37.1
95.04974	20.6
95.08620	25.6
97.06540	17.5
97.10178	4.2
98.21450	1.9
98.97621	2.2
99.04459	2.5
99.08141	1.8
101.05997	3.1
105.07038	41.7
107.04969	5.4
107.08599	46.5
109.06532	15.2
109.10184	3.8
111.04477	4.3
111.08089	8.7
113.06001	6.1
115.05492	1.7
119.08591	28.9
121.06520	2.7
121.10151	32.7
123.08080	7.4
123.11729	3.7
125.05980	2.0
127.07600	3.0
129.07005	17.4
131.08568	31.9
133.06490	3.0
133.10139	42.6
137.09589	1.9
139.11237	2.1
142.07779	4.1
143.00220	1.6
145.10144	2.0
147.08046	5.6
147.11691	52.2
149.09628	50.5
151.11198	3.7
152.14032	1.4
157.10152	31.9
164.19492	1.8
165.12761	7.2
167.10716	10.5
175.11192	35.6
177.30414	1.5
179.14328	2.8
193.03252	1.6
193.12262	46.4
197.15367	20.1
199.13370	8.8
211.13313	38.5
225.14865	100.0
243.08783	3.2
243.15785	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	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.4
65.64695	0.1
70.40769	0.1
70.59074	0.3
82.99825	1.0
89.08495	0.1
98.21489	0.1
98.97591	3.7
99.97940	0.1
100.98053	0.1
101.00891	6.8
113.00873	0.1
116.98631	1.4
119.01929	9.2
122.97803	0.1
134.99846	0.7
136.99112	0.1
137.02974	1.1
140.34692	0.1
140.98830	1.6
142.03566	0.1
153.00949	0.1
157.01935	0.2
158.99905	4.8
159.99998	0.1
165.99731	0.3
175.03056	0.3
177.00963	19.3
178.01100	0.3
179.01422	0.2
182.99904	1.3
189.00777	0.1
193.04099	0.1
195.01903	0.1
199.03040	0.3
200.02605	0.2
201.00937	4.0
202.01007	0.1
204.71625	0.1
209.98404	0.1
214.95599	0.2
217.04092	3.4
219.02019	24.2
220.02174	1.3
221.02406	0.2
225.00859	2.3
231.01677	0.1
234.00745	0.4
238.03339	0.1
238.28204	0.1
240.05533	0.1
242.03687	0.1
243.02007	12.5
244.02090	0.1
261.03073	100.0
262.03229	1.1
263.03372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01865	4.3
55.05513	21.7
57.03424	4.9
57.07042	2.7
67.05167	4.8
67.05507	51.0
69.03418	9.1
69.07076	12.7
69.62000	14.2
71.04988	11.9
72.97084	2.6
79.05495	44.3
81.03427	14.5
81.07063	57.4
81.15714	2.4
83.04981	31.5
83.08618	10.8
85.06550	5.9
87.04446	16.1
91.05484	56.0
93.07050	37.0
95.04975	100.0
95.08602	20.6
96.60654	2.6
97.06532	18.5
97.10225	2.6
98.21474	5.3
101.02333	3.0
105.07035	44.2
107.04957	16.4
107.08600	24.2
107.63407	2.9
109.06530	27.8
109.10165	4.4
111.04420	13.1
111.08038	3.6
113.06066	4.7
115.05463	2.7
117.07027	15.5
119.08582	21.4
121.10156	11.0
123.04336	2.3
123.08067	4.9
123.11749	7.1
125.09624	7.4
127.07543	3.2
129.07002	35.2
131.08592	21.6
133.06480	7.7
133.10127	54.4
135.08063	31.0
135.11653	7.8
137.09621	3.0
142.07797	4.1
145.10164	3.0
147.08037	4.2
147.11688	47.2
149.09639	24.5
151.11169	38.4
157.10132	29.2
165.12788	18.2
175.11186	54.0
193.12239	71.6
211.13275	38.9
225.07323	2.5
225.14722	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	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01872	2.7
55.05513	6.4
56.02654	1.3
56.96564	3.0
57.03424	1.2
57.07076	2.0
65.03935	1.1
65.79787	0.8
67.05507	25.8
69.07073	6.4
70.74704	0.7
71.01362	0.8
71.04995	100.0
71.56868	1.0
77.93545	0.7
79.05499	13.9
81.03430	1.9
81.07059	40.6
82.37049	0.7
82.94581	0.7
83.04992	2.7
83.08620	4.1
85.06561	6.0
91.05492	9.6
93.07050	25.2
95.04993	3.7
95.08607	19.6
97.06529	5.2
98.97599	8.3
99.08121	2.9
105.07031	7.6
107.04977	2.1
107.08602	10.2
109.06513	2.1
109.10178	3.4
111.04480	1.8
111.08086	3.6
116.98628	5.0
117.07021	10.5
119.08607	3.6
121.06557	1.6
121.10190	4.3
123.08073	1.3
125.09690	1.1
129.07030	4.4
129.09175	0.8
131.08569	11.3
133.10147	8.9
134.99701	3.0
135.08090	1.5
135.11699	19.4
140.00198	1.0
143.08582	3.2
145.10106	4.9
147.11713	1.5
149.09656	1.6
149.13272	8.4
151.11256	1.3
157.10176	2.6
158.01305	1.7
159.11697	20.5
161.13234	1.4
163.11192	6.0
169.10210	1.1
171.11707	5.1
173.13293	1.8
177.00827	1.8
177.12776	10.6
181.12256	1.8
185.13240	4.4
191.10727	1.2
194.92471	1.4
199.14839	3.7
209.11813	2.4
209.15439	3.4
227.12804	8.6
227.99979	0.8
241.08749	0.8
241.15884	2.0
241.19589	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	241.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99474	0.5
53.03948	1.6
55.01873	1.0
55.05510	4.7
56.02673	1.3
56.96570	1.7
57.03461	0.5
57.07071	1.1
58.06466	0.4
59.04992	0.4
65.03940	0.7
67.05507	25.6
69.07072	5.1
71.04997	100.0
73.06552	1.1
79.05499	11.7
81.07062	38.6
82.94557	0.7
83.04991	2.8
83.08622	1.9
84.25008	0.5
85.06544	6.9
91.05485	9.4
93.07050	25.3
95.04979	2.3
95.08616	19.3
97.06535	3.8
98.97594	5.8
99.08107	2.4
105.07028	4.9
107.04971	1.3
107.08598	8.5
109.06529	2.3
109.10162	2.1
111.04450	0.9
111.08104	2.4
115.07608	0.6
116.98631	3.9
117.07015	7.7
117.07752	0.7
119.08614	1.6
121.06540	1.0
121.10165	3.7
123.08114	0.7
125.09676	0.6
127.07578	0.9
129.07039	0.8
129.09131	0.7
131.08574	9.3
133.10149	7.7
134.99683	1.9
135.08093	1.7
135.11699	18.5
135.12709	1.0
140.00226	0.6
143.08585	0.9
145.10141	2.0
149.09633	1.1
149.13269	11.5
151.11253	0.6
157.10168	0.9
158.01282	0.7
159.11700	20.8
161.13344	0.9
163.11195	4.1
171.11749	1.3
173.13255	0.7
177.00706	0.6
177.12767	10.6
180.39087	0.4
181.12222	1.1
185.13306	1.1
189.51064	0.4
191.10719	0.6
192.77647	0.4
194.92601	0.6
199.14879	1.1
204.48723	0.4
207.30762	0.5
209.06093	0.8
209.11801	1.7
209.15404	3.3
227.12814	5.1
241.19841	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44151	0.2
57.31336	0.2
58.06592	1.5
60.08165	3.5
70.06593	1.7
70.45200	0.4
70.45537	0.2
75.77956	0.2
84.08146	0.5
85.02930	0.2
93.78046	0.2
94.06585	0.9
97.02900	0.2
101.00926	0.2
103.48185	0.2
104.10746	100.0
105.11128	0.3
116.07063	1.2
138.05569	0.2
152.07065	0.5
185.02898	0.2
196.09760	0.2
198.06190	0.2
205.03146	0.2
241.15477	6.3
245.05171	0.6
247.33215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01865	3.0
55.05510	7.2
57.03435	1.9
57.07051	0.5
65.03926	0.7
67.05507	9.6
69.03431	0.7
69.07069	4.5
70.24618	1.2
71.04994	1.9
73.02921	0.7
76.18377	0.3
79.05495	16.6
81.03421	2.2
81.07058	12.2
83.01311	0.4
83.04984	2.6
83.08622	6.1
91.05481	4.8
93.07046	22.8
94.47324	0.5
95.04968	3.9
95.08607	23.4
97.02876	2.0
97.06522	1.7
98.21553	0.4
98.97572	0.7
99.04460	3.3
103.05452	0.5
105.04475	0.5
105.07035	4.6
107.04955	5.9
107.08593	15.9
109.06506	1.5
109.10152	1.7
110.18606	0.4
111.04441	1.9
111.08062	0.8
113.06028	0.7
117.07021	5.1
119.08586	5.5
121.06514	4.5
121.10146	8.0
121.71196	0.4
125.05975	2.4
129.03175	0.4
130.07771	0.9
131.08607	0.7
133.10110	1.2
135.08078	1.6
135.11693	31.4
139.07549	1.4
143.08524	0.6
143.27995	0.4
145.10124	18.7
153.12758	1.0
163.11180	47.3
173.09676	0.8
181.12230	10.5
191.10713	0.5
209.11729	2.8
227.12781	100.0
241.14340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01862	3.0
55.05512	6.2
55.05759	0.9
56.96577	0.6
57.03424	1.5
57.07080	0.7
67.05503	11.0
69.03422	1.1
69.07058	5.6
69.39680	3.2
69.40112	2.5
71.04983	2.1
76.14451	0.7
79.05058	1.1
79.05493	14.3
81.03399	3.2
81.07061	12.4
83.04969	2.7
83.08635	6.7
83.72842	0.7
85.06566	0.7
91.05475	4.4
93.07047	23.7
95.04971	4.5
95.08609	23.4
95.09061	0.4
97.02888	2.1
97.06535	2.6
98.97593	2.6
99.04449	2.9
105.07023	2.8
107.04968	5.3
107.08606	15.3
109.06532	1.4
109.10148	1.0
111.04433	1.2
111.08077	0.9
113.09635	0.8
115.10411	0.6
117.07019	5.0
119.08588	6.3
121.06515	4.4
121.10154	8.2
125.06027	1.9
130.07799	0.8
131.08549	1.2
133.10103	1.6
135.08029	1.5
135.11694	28.8
145.09042	1.3
145.10126	15.6
149.09566	0.6
153.12685	1.0
163.11186	38.1
173.09583	1.2
181.12236	11.2
191.10736	1.8
209.11742	4.7
227.12785	100.0
241.08769	0.8
241.12125	1.0
241.14366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36478	0.2
54.12776	0.3
55.05500	0.7
56.05027	0.3
56.96544	0.2
67.05495	0.7
69.07060	0.6
70.06577	0.4
70.11130	0.4
70.11526	0.5
72.04516	1.0
72.08140	0.2
74.06088	0.5
79.05464	0.5
80.05021	0.2
80.92940	0.2
81.07053	1.3
82.06551	0.4
83.08619	0.4
93.07047	1.3
93.07535	0.2
94.06555	0.4
95.08606	1.5
98.06044	0.3
98.20719	0.2
98.97574	0.5
100.07598	0.4
104.33850	0.2
107.08574	0.7
108.08108	0.8
109.08886	0.3
112.07610	0.5
114.09165	0.4
120.08100	0.2
122.09635	0.7
123.10431	0.3
123.11649	0.3
124.07587	4.3
126.09148	0.5
128.10713	0.6
135.11670	0.8
136.11197	1.8
137.13263	0.6
138.09120	0.9
139.09898	0.9
140.10649	0.5
142.12242	1.2
150.12779	1.3
151.13570	0.8
152.10713	1.8
152.14368	0.3
153.11501	1.0
154.12282	2.1
162.98943	0.2
164.14240	0.2
166.12260	3.9
167.13083	1.7
168.13867	1.1
178.15948	0.4
179.75101	0.2
194.15431	2.1
196.16966	100.0
197.17336	0.6
198.18477	1.0
222.18646	0.2
240.19580	62.1
241.19879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	29.3
55.05521	15.8
55.08244	1.8
56.96560	3.9
57.03440	5.4
57.07073	2.9
65.03938	3.0
67.05511	36.0
69.03429	3.1
69.06739	2.3
69.07062	15.4
71.04984	9.9
71.56935	1.8
71.57420	3.3
72.52206	1.8
79.05504	23.9
81.03383	5.6
81.07060	29.5
83.04987	66.9
83.08633	12.4
85.02908	6.3
85.06533	6.6
91.05499	12.6
93.07047	34.7
94.72886	2.0
95.04968	5.6
95.08596	16.4
97.02908	3.1
97.06544	15.6
98.97597	13.9
99.04467	5.2
99.08084	3.3
105.06994	4.6
107.04947	8.5
107.08607	23.9
109.10160	22.4
111.04445	100.0
111.08082	29.4
115.05465	2.4
116.98609	7.7
117.07008	11.9
119.08585	11.7
121.06488	3.3
121.10159	20.8
125.05962	3.5
129.06987	8.6
131.08545	14.9
133.10138	4.2
135.08122	3.7
135.11691	34.5
139.11180	3.0
143.08597	4.8
145.10133	23.9
147.11688	6.5
149.09607	7.1
151.00618	1.9
153.12753	63.4
155.08600	2.6
157.10068	4.6
159.11653	3.2
163.11191	62.8
163.12547	4.7
171.11696	6.2
173.09601	12.2
173.13249	3.8
177.00836	3.3
181.12251	72.8
185.13245	6.2
191.10683	48.9
199.07628	2.4
199.14787	4.7
200.08859	2.6
205.12239	3.1
209.11737	41.4
223.13295	7.3
226.06459	2.4
227.10497	3.9
227.12790	76.3
241.08627	7.6
241.12224	2.7
241.14349	7.6
241.19493	23.9
242.28459	4.0
247.87952	2.1
247.90558	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	239.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03954	7.5
55.01869	3.5
55.05262	1.5
55.05516	22.7
57.03437	3.2
60.27251	0.7
65.03947	2.3
67.05508	46.1
69.06786	0.8
69.07078	11.5
69.65025	3.6
69.65428	1.7
71.04985	3.3
73.06557	3.0
77.03897	1.8
79.05498	82.6
81.03442	5.5
81.07061	38.8
83.04987	30.0
83.08628	8.2
85.06542	3.5
87.04459	1.1
91.05485	60.8
93.07050	100.0
95.04984	16.6
95.08049	1.5
95.08617	22.1
95.47221	0.9
97.06553	6.4
97.10182	3.4
105.04523	1.9
105.07035	47.1
107.04956	4.0
107.08602	18.2
109.06525	6.7
109.10162	2.3
111.08092	2.6
113.06012	1.0
115.05405	1.2
116.96486	0.8
117.07045	6.5
119.08583	23.6
121.06508	3.1
121.10156	4.7
123.08064	8.8
123.99490	1.0
127.07557	2.2
128.06218	3.1
129.07007	21.3
131.08560	3.8
133.10143	8.9
135.11707	1.6
141.06953	1.1
141.09128	2.0
143.08572	12.6
143.09589	1.7
145.10126	14.0
147.08080	3.0
147.11694	67.5
156.09396	1.1
159.11665	1.3
161.09621	6.1
161.13258	18.2
163.11180	2.8
171.11700	45.5
179.08728	1.0
179.14313	2.1
189.12752	21.5
207.13835	27.4
209.41046	1.1
239.08966	3.7
239.18181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
52.96820	0.4
53.00296	0.5
53.03951	1.1
53.99829	0.5
55.05514	15.1
57.07079	100.0
65.03946	0.8
65.28886	0.5
67.05508	37.8
69.07072	18.8
70.52225	0.9
70.52570	0.5
71.05003	0.6
71.08636	62.6
79.05499	4.3
81.03437	0.7
81.07063	43.7
83.08622	23.3
85.06546	3.0
85.10189	31.9
89.06049	1.1
90.55804	0.4
91.05468	1.2
93.07050	3.3
95.04996	0.7
95.08613	61.2
97.10176	9.9
98.20849	0.7
99.04452	0.7
99.08099	1.1
99.11723	0.8
102.63950	0.5
105.07034	1.3
109.10164	20.7
111.11735	1.7
117.07028	0.9
119.08582	1.0
123.11704	6.2
125.13306	0.6
128.06198	0.5
129.07021	2.4
131.08588	0.7
133.10153	0.6
137.13255	2.3
141.07019	2.3
143.08563	1.8
145.10121	1.2
147.11685	1.2
151.14844	0.5
154.07722	0.7
155.08592	2.7
157.10103	3.1
159.11693	1.4
165.16359	0.7
167.08585	0.5
168.09367	0.6
169.10129	3.4
171.11722	4.1
172.98334	0.4
173.13370	0.4
175.20726	0.4
183.11702	4.2
189.12805	0.4
197.13292	4.2
207.13892	0.8
211.14809	1.0
239.08885	3.6
239.12744	0.7
239.17982	16.3
239.23665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03947	1.1
55.01881	0.9
55.05515	6.5
56.96575	0.7
57.07077	2.2
60.04518	0.7
62.86287	0.7
65.03950	2.0
67.05511	43.0
69.03424	1.6
69.07075	6.2
70.68766	2.1
71.04997	1.1
71.08627	0.7
79.05501	12.3
81.03429	0.8
81.07063	100.0
83.05000	1.4
83.08622	5.4
84.61510	0.6
85.02911	0.8
85.06557	1.6
91.05478	4.9
93.07048	10.4
95.04984	4.6
95.08614	71.6
97.06541	2.8
97.08907	0.8
97.10160	2.5
99.04449	0.8
105.07044	2.2
107.08589	7.7
109.06530	1.5
109.10165	28.9
110.09725	0.9
111.08087	1.4
112.11245	1.6
117.07066	1.2
119.04977	1.4
119.08626	3.9
121.10152	9.3
123.08087	3.0
123.11734	6.4
125.09680	1.0
131.08585	2.7
131.12024	1.7
133.10147	2.1
135.08102	0.7
135.11720	6.4
137.09631	3.1
137.13272	1.4
145.10168	4.0
147.04439	4.7
149.09616	1.6
149.13251	2.1
151.11191	0.8
153.05557	0.9
155.13068	2.3
159.11723	2.8
160.46423	0.8
163.11198	3.2
163.14906	0.7
165.05521	0.8
167.10757	1.0
173.13304	1.1
175.14958	0.9
177.12701	1.0
177.16426	2.4
181.10063	1.0
181.12274	2.4
191.10638	1.0
191.17953	1.4
195.11728	1.7
195.13791	1.1
195.72511	0.7
201.16351	6.3
204.62463	0.7
207.11656	0.9
209.11749	1.5
219.17389	4.7
219.21056	1.7
222.14003	1.0
223.21764	1.6
237.12772	1.3
237.14822	2.3
237.16466	2.1
237.18512	22.6
237.22057	5.1
249.16043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
56.96559	4.5
57.07063	3.5
58.10867	1.0
60.04491	1.4
65.03942	1.0
67.05495	5.0
69.03431	1.8
69.07051	3.8
70.06565	1.7
71.05000	5.5
71.05319	1.0
71.56602	1.0
72.08154	1.4
73.02921	1.2
74.06088	1.1
79.05464	1.8
81.03459	1.1
81.07051	9.4
83.04974	1.5
83.08598	2.9
84.08150	2.6
85.02902	2.0
85.06506	2.2
86.09707	2.3
87.04459	1.4
88.80027	1.0
89.06048	1.9
90.82259	1.0
91.05497	5.6
93.07049	1.6
95.04980	1.8
95.08606	7.7
97.10154	1.8
98.97583	3.1
105.03399	1.2
105.06996	1.7
109.10120	2.9
119.04963	5.1
119.08553	2.3
120.08035	1.3
123.11736	2.3
124.99141	2.7
126.05511	1.4
129.10199	1.2
133.08606	2.4
133.10170	2.1
135.08054	1.6
143.00148	3.0
147.04424	24.2
147.11601	1.1
155.54352	1.0
161.01202	2.4
179.10669	1.5
193.12294	1.7
203.10782	1.6
221.11600	1.6
239.08911	100.0
239.18314	2.1
239.21802	5.5
240.08665	3.2
249.02989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.03941	6.8
55.01884	6.4
55.05513	29.5
55.62964	3.3
56.96563	11.7
57.03432	5.5
59.04995	10.7
67.05173	4.3
67.05509	53.3
69.07074	29.0
69.26070	37.0
71.04990	28.4
79.05499	44.2
80.94846	4.7
81.03416	11.7
81.06590	4.0
81.07060	61.5
83.04993	17.4
83.08633	22.4
85.02898	14.3
85.06548	7.2
89.06022	7.1
91.05490	46.8
93.07043	54.7
93.74935	3.2
95.04978	82.1
95.08603	47.7
97.06545	43.4
97.65189	3.0
98.21569	6.9
99.04449	12.8
99.47488	3.6
105.03381	5.0
105.07033	45.3
107.04959	33.4
107.08601	31.5
109.02925	5.3
109.06525	15.4
109.10135	20.9
111.04438	13.0
111.08074	6.1
117.07038	18.4
119.08593	35.4
121.06505	10.5
121.10139	12.4
123.08084	8.6
128.06169	5.0
129.07002	15.0
131.08569	8.3
133.06499	27.2
133.10136	13.7
135.11694	11.7
137.09586	7.4
141.06981	10.1
142.07777	4.1
143.08542	19.4
145.10121	13.7
147.08028	7.7
147.11725	8.1
155.08514	10.8
157.10120	15.9
159.11716	13.8
161.09602	4.6
161.13271	27.2
163.11195	14.2
165.12755	5.4
168.09404	5.0
169.10168	15.9
171.11708	18.3
172.58110	4.2
175.14856	6.3
177.12775	9.3
179.14317	55.6
183.11720	23.9
185.13255	15.3
195.11835	3.8
197.13255	16.2
203.14355	19.9
207.13742	4.6
210.13983	4.0
210.92386	3.5
211.14897	4.4
221.11922	5.1
221.15369	85.3
221.17268	3.5
239.06917	6.6
239.08937	100.0
239.18106	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1235
Annotation	3061-90-3
Peak:m/z	Relative Intensity
54.49437	0.8
55.01862	0.9
55.05504	2.6
55.05935	1.0
56.96571	5.3
57.03418	1.9
57.07067	1.7
60.04509	1.1
61.02924	1.2
62.84813	0.9
67.05492	3.0
69.03412	2.6
69.07056	3.6
70.06596	6.6
71.04969	1.4
71.56410	1.3
71.56781	1.0
72.08147	3.5
72.93790	0.8
73.02912	0.9
74.02422	1.5
75.04465	2.1
76.18378	0.8
79.05487	2.8
80.05037	0.9
81.03406	1.2
81.07070	4.4
83.04976	1.8
84.08135	4.6
85.02900	2.2
86.09697	3.1
91.05476	4.3
93.07047	2.9
94.06568	3.1
95.04949	1.6
95.08603	3.4
95.09412	0.8
97.02881	1.5
97.06543	1.1
98.97601	6.0
102.75580	0.7
103.05457	3.3
104.04984	1.2
105.07015	2.4
107.04962	1.5
107.08575	1.5
109.02872	1.2
109.06537	1.4
109.10131	1.9
110.97538	0.9
111.08062	1.2
111.11713	0.8
116.98586	2.3
118.06532	3.7
119.08656	1.0
120.04488	1.8
120.08114	100.0
121.10144	2.6
127.03889	1.0
129.10220	1.3
130.06532	1.0
131.04942	3.9
131.08597	1.7
132.04471	0.9
134.99756	0.9
135.08054	1.0
136.07588	7.5
137.05957	1.4
137.09607	1.1
145.10138	0.9
146.06029	30.5
147.04436	1.3
148.03909	1.9
149.01213	1.2
149.05984	3.1
149.09674	1.3
150.05542	1.4
156.03601	1.3
158.99625	1.2
159.08112	1.0
159.11703	0.9
161.05966	1.3
163.03896	1.2
163.07524	1.5
166.08653	77.6
172.94258	2.1
174.05484	5.7
176.97075	1.0
177.00650	1.0
177.05432	1.3
190.95302	2.6
191.08327	1.9
191.11745	4.4
192.06598	4.3
196.81810	0.7
202.04996	2.7
204.55019	0.9
213.96899	2.0
219.06491	1.1
220.06059	1.7
237.08736	2.4
237.12369	8.3
237.14848	3.1
237.20174	1.4
237.22241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03949	2.2
54.84666	0.7
55.01880	1.0
55.05512	18.7
56.96567	2.5
57.03438	1.5
57.07079	7.0
59.04980	1.1
60.04517	1.0
65.03942	2.0
67.05507	61.5
67.09942	0.6
69.03429	1.6
69.07069	20.3
69.70600	1.4
69.71012	2.7
71.04983	1.8
71.08631	2.4
73.06563	0.8
79.05497	23.6
81.03427	1.9
81.07059	85.9
83.04992	3.9
83.08614	14.7
85.06551	4.2
87.08144	0.6
91.05486	8.0
93.07050	27.1
95.04978	6.1
95.08610	100.0
97.06522	6.0
97.08917	1.0
97.10168	8.7
99.08082	2.3
105.07028	7.3
107.04987	1.3
107.08597	20.1
107.09297	1.3
109.06534	4.0
109.10158	39.3
110.09700	1.0
111.04472	1.0
111.08096	5.5
111.11732	1.5
112.11269	2.2
113.09679	1.2
113.38644	0.8
117.07010	2.9
119.04935	3.3
119.08541	4.7
121.06524	2.2
121.10144	29.6
123.08078	3.7
123.11706	10.3
125.09631	1.7
127.11212	0.8
131.08578	9.9
131.11990	2.2
132.12790	1.0
133.06491	0.7
133.10136	2.5
135.08049	3.1
135.11684	11.6
137.09587	1.3
137.12007	1.1
137.13252	2.3
139.11206	1.2
140.25926	0.8
141.09099	1.0
145.10130	9.0
147.04419	8.0
147.11685	2.3
149.02368	0.9
149.09639	4.1
149.13249	4.4
155.10683	1.1
155.13023	2.3
159.11702	3.5
161.13234	4.4
163.11172	2.8
163.14841	8.6
173.13249	1.9
177.16385	4.7
187.14833	20.4
188.59865	0.7
191.14334	1.5
194.18982	1.2
195.11703	1.8
201.12726	0.8
205.15872	11.7
207.24869	0.7
209.13351	1.1
219.13789	2.7
219.17540	1.2
219.21063	10.8
223.21667	1.9
237.14618	7.7
237.16747	1.2
237.18527	12.0
237.22116	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32489	1.2
53.03942	1.4
53.85388	1.0
55.05509	11.2
56.96572	5.8
57.07083	15.7
57.33110	1.0
58.96111	4.6
59.04996	2.0
64.85821	1.1
67.05178	1.5
67.05508	24.2
69.03423	2.3
69.07078	18.4
71.04657	1.2
71.05003	17.6
71.57280	1.5
79.05502	11.8
81.03410	1.5
81.07060	36.1
83.08611	5.1
91.05493	9.9
93.06475	2.1
93.07049	33.7
95.04972	2.6
95.08612	100.0
97.06519	2.7
97.10148	3.5
99.08094	5.1
99.98726	3.0
105.07021	14.1
107.04935	3.4
107.07862	2.5
107.08599	49.8
109.02808	1.3
109.06547	1.5
109.10158	40.5
111.08115	1.3
111.11703	1.8
113.96357	2.2
117.07025	2.5
117.99804	2.1
119.07800	1.9
119.08585	30.3
121.10150	31.4
123.04406	3.7
123.07996	1.4
123.11714	10.6
125.09676	1.4
127.11196	15.3
129.06999	1.5
131.08553	4.1
131.97411	1.6
133.10139	36.8
135.08052	1.6
135.11693	8.7
137.09631	3.8
137.13264	8.2
141.12709	1.5
145.10109	3.2
146.10440	1.6
147.11697	19.4
149.13269	70.1
151.03818	1.5
151.07492	1.4
151.11208	1.4
156.76154	1.2
159.11688	2.2
161.06013	2.0
161.09662	2.3
161.13268	14.9
163.03906	2.6
163.14844	6.3
165.12727	1.6
175.07620	1.9
175.11188	2.1
175.14838	7.5
177.16414	2.5
179.10681	8.3
179.14301	1.3
189.00749	1.4
189.04329	3.4
189.12761	2.1
189.16414	2.7
191.17882	1.4
193.12285	5.7
217.14143	3.1
217.16040	1.9
217.19533	31.4
223.04346	2.0
235.09564	2.6
235.13177	3.1
235.16922	40.8
235.20551	45.7
238.40706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
52.90718	1.3
53.03926	2.8
55.05312	1.2
55.05513	13.2
56.96552	4.1
57.03448	1.5
57.07078	13.4
58.96115	2.7
59.04988	1.9
65.03937	1.2
67.05174	1.8
67.05507	23.7
67.26565	1.3
69.03413	2.4
69.07072	19.5
69.28554	13.3
71.04994	20.0
79.05486	13.9
81.03397	1.5
81.07059	53.6
83.04950	1.7
83.08601	8.2
85.06561	2.6
87.28909	1.2
91.05493	11.2
93.07046	36.5
95.04964	3.3
95.08611	100.0
97.06532	2.9
97.10162	7.2
99.08076	5.6
99.98747	2.2
105.06507	1.3
105.07033	16.1
107.08598	55.0
109.06509	3.1
109.10155	52.0
111.08092	3.0
111.11694	3.2
113.09647	1.8
117.06965	1.7
119.08585	25.3
121.10150	35.6
123.04356	1.5
123.08032	2.0
123.11711	16.3
123.80913	1.2
125.09623	6.3
125.13296	1.6
127.11185	16.6
129.06987	1.3
131.08537	3.3
133.10132	36.9
135.11710	8.1
137.09593	2.1
137.13286	14.2
147.04422	1.8
147.11684	21.0
149.13266	79.3
151.14793	2.6
153.12695	3.4
157.10025	1.3
161.09576	2.1
161.13263	16.8
163.14841	6.7
165.12785	2.6
175.14835	7.8
177.16408	2.6
179.10663	5.2
189.04419	2.1
189.16408	3.0
191.17940	2.1
217.16003	2.1
217.19531	32.1
235.13229	2.1
235.17003	26.4
235.20569	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
52.28828	1.3
55.05507	12.1
55.49870	1.4
56.96557	4.8
57.03434	1.7
57.07074	20.1
58.96131	5.2
67.05502	22.9
68.39194	1.5
69.03384	1.7
69.07072	20.5
69.20585	5.5
69.21009	9.3
71.04996	23.5
79.05498	11.3
81.03435	2.1
81.07058	40.0
83.08613	5.8
85.06525	2.1
91.05470	10.1
93.07043	39.2
95.04956	4.2
95.08607	100.0
97.02918	1.8
97.06531	4.6
97.10172	2.5
98.97560	1.9
99.08072	4.9
99.98730	3.8
105.07037	16.5
107.04990	1.9
107.08598	56.0
109.06538	2.9
109.10155	42.4
111.04492	1.5
111.08071	2.1
111.11710	2.0
113.96462	2.0
117.07030	3.2
117.99781	2.4
119.08583	35.4
121.06490	1.9
121.10149	38.3
121.11028	2.0
123.04413	4.9
123.08060	2.6
123.11704	8.7
125.09643	2.4
127.11189	18.2
128.06242	1.5
131.08585	4.9
133.09109	2.2
133.10123	44.7
135.11737	8.6
137.09622	2.4
137.13275	10.6
139.03957	1.7
139.11182	2.1
145.10121	2.5
147.08092	1.7
147.11681	20.6
149.13261	82.1
151.11201	2.7
153.12715	1.9
157.10136	3.4
159.11684	1.8
161.09647	2.1
161.13228	14.6
163.03928	4.3
163.14836	6.5
170.99614	1.6
174.09886	1.9
175.07573	1.9
175.11217	2.4
175.14819	9.6
177.16434	3.3
179.10646	8.8
179.14262	1.8
189.00717	2.2
189.04350	5.8
189.16298	2.9
191.18048	1.7
193.12303	7.0
217.12221	2.8
217.14134	3.5
217.16093	2.4
217.19525	35.6
235.09642	4.1
235.13144	6.0
235.16943	38.2
235.20583	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.90837	0.9
53.03936	3.9
55.01873	1.6
55.05268	1.0
55.05514	13.8
56.96575	4.4
57.03421	1.3
57.07077	8.2
58.96132	6.8
60.95847	1.6
62.53746	0.8
62.67846	0.9
65.03941	2.2
65.40065	1.0
67.05508	38.0
69.03410	1.1
69.07069	12.8
70.95486	1.8
71.04974	3.8
77.03930	1.1
79.05495	70.1
81.03407	4.0
81.07060	38.9
83.04974	3.2
83.08627	7.5
85.06535	3.8
91.04907	1.1
91.05483	43.8
93.07045	86.3
95.04987	8.6
95.08610	30.0
95.09134	0.5
95.09229	0.9
97.06517	5.5
97.10170	4.3
99.08074	2.5
99.98753	4.6
105.04504	2.2
105.07034	22.8
105.08109	0.9
107.04977	5.5
107.08599	47.8
109.06510	4.2
109.10161	8.8
111.08067	2.5
117.07029	9.7
117.99770	1.7
119.08581	21.6
121.06499	3.2
121.10146	62.1
123.08089	4.5
125.09629	1.6
128.06224	1.4
129.06987	5.3
131.08559	15.5
133.10141	21.8
135.08051	6.3
135.11696	13.6
137.09598	4.0
139.07538	1.9
143.08575	5.4
145.10129	4.4
147.08012	2.1
147.11717	5.5
149.09628	4.2
151.11192	1.3
153.09097	3.4
156.09309	1.0
157.10146	6.4
159.11668	1.7
161.09605	3.5
161.13257	4.9
162.41579	0.9
163.11162	1.1
171.11661	4.4
173.09123	1.4
173.13274	5.8
175.11195	3.5
175.14845	8.3
179.10710	7.1
182.07980	0.8
182.09612	4.1
185.13213	2.1
189.04366	1.3
189.12689	2.1
189.16368	11.4
191.10075	2.6
191.14301	2.2
193.12230	1.3
193.60335	1.3
194.10767	0.9
199.14832	12.8
203.14351	2.1
207.17537	2.2
217.15900	15.5
235.09637	2.2
235.13142	2.5
235.16928	100.0
236.17366	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	Caulolactone B
Peak:m/z	Relative Intensity
53.03948	2.6
55.01875	3.4
55.05514	9.1
56.96565	5.2
57.03441	1.8
57.07082	9.0
59.04995	1.2
62.96474	0.8
65.03940	1.8
67.05509	30.1
69.03433	100.0
69.07072	12.5
70.98135	1.6
71.04992	3.3
73.06561	0.7
77.03944	0.9
79.05496	37.0
81.03434	1.1
81.07061	37.1
83.04987	2.5
83.08621	6.6
85.06553	3.1
87.04470	0.8
91.05486	31.8
93.07049	44.3
95.04996	6.0
95.08610	23.1
97.02872	0.9
97.06540	9.8
97.10172	2.6
99.08112	1.3
102.03436	0.9
103.05472	0.8
105.04508	1.2
105.07040	21.1
107.04964	1.6
107.08602	32.4
109.06536	7.5
109.10167	8.8
111.04434	1.3
111.08093	2.6
117.07027	5.4
119.08587	17.2
121.06513	3.1
121.10152	25.3
123.04442	0.9
123.08079	7.9
123.11727	2.9
125.09647	1.0
128.04842	0.8
129.07010	3.0
131.08574	7.6
133.10143	32.2
135.08072	3.9
135.11714	5.6
137.09659	4.0
137.13248	1.0
143.08563	4.1
145.10135	2.5
147.08128	0.9
147.11691	5.8
149.09628	2.2
149.13280	2.5
151.11188	7.0
153.09134	2.0
157.10129	3.9
159.11685	2.7
161.09656	1.4
161.13272	6.8
165.12842	1.1
166.08229	1.1
171.11713	1.4
173.09065	1.3
173.13274	2.0
175.08862	1.1
175.11195	3.3
175.14856	4.7
179.10674	6.0
182.09583	6.2
182.59892	1.5
185.13280	3.5
189.09132	1.0
189.12775	0.9
189.16425	7.9
191.10124	7.2
191.60126	0.8
193.12167	2.1
193.60384	3.4
194.10498	1.4
199.14804	7.0
200.10664	1.5
202.60896	2.0
203.14326	3.3
207.17430	4.7
214.11766	1.7
217.15927	9.4
217.19464	1.6
235.09601	2.4
235.16936	81.3
235.20720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
50.02491	1.1
51.02340	0.8
52.13784	0.9
53.03933	3.7
55.01866	2.4
55.05511	11.7
56.96558	2.7
57.03436	0.9
57.07078	5.5
58.96155	0.8
59.04999	1.0
65.03931	2.5
67.05507	40.1
69.06724	1.2
69.07068	11.5
69.61870	4.4
71.04981	3.3
71.86148	0.8
77.03939	1.4
79.05495	79.2
81.03411	4.2
81.07059	40.0
83.04999	4.1
83.05404	1.0
83.08620	7.7
85.06532	3.4
91.04896	1.9
91.05483	44.1
93.07046	89.7
95.04965	6.7
95.08609	29.3
97.06532	6.1
97.10163	4.4
99.08109	1.8
99.98681	0.8
101.06007	1.3
103.05455	0.8
105.04513	1.9
105.07030	22.3
107.04948	1.9
107.08601	51.6
109.06521	5.4
109.10149	8.7
111.08096	2.3
117.07019	9.7
119.08583	28.9
121.06521	4.4
121.10143	59.6
123.04416	1.3
123.07307	0.8
123.08030	4.1
123.11678	2.1
129.07040	4.2
131.08572	16.4
133.06528	1.4
133.10136	23.6
135.08075	6.8
135.11691	12.5
137.09654	5.3
139.07516	1.4
143.08556	5.2
145.10138	4.7
147.08028	1.5
147.11723	6.8
149.09601	2.9
149.13364	0.8
151.11198	2.2
153.09065	3.5
157.10129	6.6
159.11687	1.7
161.09630	3.3
161.13269	4.3
171.11673	4.2
173.13290	7.0
175.11194	3.4
175.14795	12.2
179.10683	4.3
182.07855	1.0
182.09637	2.1
185.13269	3.2
189.12794	2.2
189.16400	10.3
191.14404	1.0
193.12270	2.5
199.14827	16.4
203.14302	2.6
207.17433	1.2
217.15871	17.6
235.16930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02372	0.4
53.03949	6.3
55.01880	0.6
55.05513	1.8
56.96574	0.5
57.07084	0.8
58.96139	0.4
65.03937	1.0
67.05508	18.8
68.64620	0.3
69.01837	0.4
69.07077	2.3
69.36758	2.7
71.04994	0.6
73.06597	0.4
77.03935	1.5
79.05499	24.5
81.03423	0.4
81.07058	5.6
83.04968	0.7
83.08617	1.0
85.06557	0.8
91.05486	32.6
93.07049	100.0
94.07393	0.5
95.04978	6.8
95.08617	6.4
97.06561	0.5
97.10186	0.7
98.21515	0.8
99.04485	0.4
105.04528	2.5
105.07042	4.3
107.04981	0.4
107.08601	11.6
109.06517	0.4
109.10154	2.6
117.07011	1.6
117.07771	0.3
117.44955	0.3
119.08592	2.9
121.10149	15.9
129.07008	0.7
131.08539	2.6
133.10133	4.8
135.08078	1.9
135.11719	3.3
137.09648	0.4
139.07576	0.4
143.08577	1.1
145.10117	1.0
147.11703	0.7
149.09633	0.8
151.11180	0.6
153.09073	1.1
153.91254	0.4
157.10155	0.9
161.09669	0.4
171.11736	1.1
173.13211	0.6
175.11197	0.9
175.14839	1.5
179.10738	0.6
188.96587	0.4
189.12773	0.6
189.16362	0.8
193.12297	0.4
199.14793	2.0
205.04237	0.4
217.15912	2.3
235.09689	0.4
235.16937	16.0
242.02443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
53.07187	2.0
55.05503	7.5
56.96554	4.3
57.07074	12.6
58.96127	4.1
59.04982	3.9
67.05503	13.1
69.03427	3.9
69.07078	13.1
70.13131	7.0
71.04978	6.4
79.05492	13.4
81.03415	2.8
81.07058	15.2
81.39890	1.7
83.08616	5.8
85.06533	4.4
90.94591	1.6
91.05476	18.2
93.07053	24.9
95.04971	9.0
95.08602	22.6
97.06511	6.3
105.07034	31.3
107.08593	30.8
109.06511	6.9
109.10170	15.9
111.08126	2.3
117.07004	5.6
119.04864	2.1
119.08587	92.8
121.06522	2.5
121.10144	17.1
122.17918	1.7
123.08039	5.9
123.11679	3.2
128.06248	3.3
129.07014	5.5
130.59746	2.5
131.08551	12.9
133.06505	4.1
133.10143	46.4
135.08078	13.3
135.11668	8.6
137.09613	7.5
142.07777	5.1
143.08534	9.6
145.10129	14.7
147.08018	6.1
147.11694	20.0
149.09590	4.6
149.13269	4.5
151.11176	7.0
155.08519	2.2
156.09285	3.1
157.10114	12.0
158.10866	3.5
159.11734	13.9
160.08839	3.6
161.09610	56.0
161.13271	4.2
170.10994	3.4
171.11732	8.7
173.13263	22.9
175.11230	11.7
175.14856	16.5
177.12724	4.3
179.10687	16.7
184.12468	2.5
186.83607	2.2
187.11121	2.0
187.14882	4.7
189.00673	2.0
189.04375	1.9
189.12727	3.6
189.16362	18.4
193.15932	4.9
199.14815	15.2
202.13689	2.1
217.15883	100.0
217.19313	3.6
235.13326	3.9
235.16925	94.6
235.20631	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	235.1693
Annotation	Caulolactone B
Peak:m/z	Relative Intensity
50.68166	0.6
52.16265	0.6
53.03944	2.7
55.01875	2.4
55.05514	9.5
56.96570	3.7
57.03433	1.3
57.07082	6.0
58.96127	1.7
59.05006	0.7
60.30945	0.5
65.03951	1.8
67.05507	27.4
69.03432	100.0
69.07071	10.5
70.98126	1.6
71.04994	2.4
71.29095	1.4
71.43176	0.5
77.03941	1.2
79.05496	41.8
81.03416	1.3
81.07059	35.4
83.04995	3.3
83.08618	5.2
85.06543	4.2
87.04483	1.0
91.04897	1.4
91.05484	34.5
93.07048	49.5
95.04984	6.1
95.08607	25.8
97.06535	9.4
97.10158	3.1
98.97592	1.2
99.08104	1.2
99.98737	1.2
101.06002	0.8
105.04515	1.2
105.07034	22.1
107.04926	1.4
107.08599	35.0
109.06525	5.9
109.10165	10.1
111.04448	1.1
111.08114	3.1
116.98566	1.1
117.07014	5.7
119.08588	20.6
121.06524	3.0
121.10149	25.1
123.08080	9.0
123.11668	3.5
125.09594	1.4
128.06230	0.8
129.06981	2.4
131.08571	6.8
133.10138	31.0
135.08083	3.2
135.11681	6.1
137.09644	3.7
138.85005	0.6
139.07532	0.8
142.07767	1.0
143.08571	4.2
145.10120	2.0
147.08089	1.3
147.11681	6.0
149.09619	2.5
149.13249	2.0
151.11208	6.1
153.09065	0.8
157.10159	4.2
159.11667	2.8
161.09630	2.0
161.13254	9.4
163.14873	0.9
165.12820	1.2
166.08258	1.5
171.11729	1.3
173.09039	0.9
173.13237	1.1
175.07533	0.7
175.08885	1.3
175.11212	3.8
175.14865	5.2
179.10709	4.5
182.09552	4.3
185.13245	7.4
189.00505	0.8
189.12747	1.0
189.16380	6.9
191.10085	5.0
193.12274	1.7
193.60359	1.4
199.14850	6.4
202.60934	1.2
203.14304	6.0
207.17419	5.1
214.11630	0.7
217.08656	0.7
217.15892	8.0
217.53914	0.6
230.91951	0.6
234.62086	0.8
235.16930	72.3
235.20714	1.8
236.17233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.8
56.05028	0.8
56.96565	1.6
57.03433	0.4
57.07074	0.6
57.53284	0.2
58.99577	0.4
60.04515	0.2
67.05475	0.6
68.05009	0.5
69.03425	1.7
70.06587	3.5
70.85219	0.8
71.01335	0.3
72.08160	12.6
73.02924	0.6
74.06081	1.8
75.06416	0.8
80.36365	0.3
81.03414	0.3
81.07047	0.8
83.04978	1.9
84.04509	0.5
84.08160	1.7
85.02911	0.7
85.06563	0.3
86.00639	0.4
86.05582	0.4
86.06078	5.7
86.09707	0.8
86.99055	0.6
87.04472	17.4
87.10046	0.4
88.02201	0.4
88.07610	0.3
89.06023	0.6
91.05491	0.4
93.07021	0.4
95.08618	0.4
97.02863	0.8
98.01299	0.6
98.06060	24.2
98.97584	1.7
101.06016	1.1
107.04974	0.3
110.09727	0.3
110.97577	0.6
111.04451	3.5
113.06013	0.5
116.98614	0.7
120.08112	1.9
121.06535	0.4
126.00814	0.4
126.12790	3.1
127.07502	0.4
128.98584	0.3
129.05429	0.8
130.08633	0.4
131.95068	0.3
132.95825	1.0
133.10587	0.3
136.06232	0.4
138.05533	0.4
140.10706	16.4
143.00197	0.4
147.01280	0.6
147.04388	0.6
150.96913	0.9
155.07030	4.4
156.01785	1.0
158.11771	100.0
158.99738	0.4
159.12138	0.4
161.01230	0.4
163.12320	1.2
167.07043	1.2
170.11729	0.5
172.13374	4.4
173.08104	5.1
177.00734	0.5
190.03633	1.1
191.97180	0.5
193.00189	0.3
199.09608	0.7
199.72511	0.3
202.01329	0.3
202.04985	1.0
202.14371	1.2
210.96626	0.4
211.05656	0.4
216.05135	0.4
216.12352	0.7
216.15981	1.0
217.10713	12.3
217.15373	0.4
225.07103	0.6
234.07956	0.7
234.11288	0.4
234.13307	0.9
234.15071	0.4
234.16736	2.0
234.19800	0.4
234.21930	2.0
235.16934	0.6
242.78166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1489
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
55.05498	0.6
55.66571	0.2
56.96549	0.4
57.03429	0.2
60.04205	0.2
61.22747	0.2
67.05492	0.3
69.07059	0.2
69.22308	1.4
70.06596	0.3
72.08140	0.3
76.57064	0.2
79.05498	0.3
81.07047	0.4
83.04958	0.2
84.08102	0.2
85.96119	0.2
91.05456	0.4
91.86964	0.2
93.06976	0.2
93.22892	0.2
98.97579	0.6
105.07006	0.3
111.04424	0.6
118.06555	0.3
118.38224	0.2
119.08550	0.3
128.98598	0.2
130.06557	0.4
131.07324	0.2
132.08070	0.5
133.10085	0.2
136.06148	0.2
144.08156	0.2
145.08775	0.2
146.09592	0.4
152.37759	0.2
155.06982	0.6
160.11226	0.7
169.59187	0.2
173.08124	0.6
176.07068	20.5
177.07811	0.4
178.08620	0.2
188.06944	0.3
189.15152	0.8
190.08630	8.8
191.09404	2.2
192.10185	0.8
204.10197	7.0
205.11008	0.5
216.07434	0.2
216.13898	0.4
217.10678	1.5
218.11760	0.5
222.06496	0.5
222.56479	0.3
234.14886	100.0
235.15221	0.5
236.31160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03939	2.8
55.05512	14.3
56.96548	4.9
57.07058	1.3
59.04998	1.4
62.88116	1.3
67.05507	15.2
69.03439	6.1
69.07069	11.1
71.04998	7.9
71.57375	1.8
73.82497	1.2
74.06065	3.6
77.03905	1.2
78.72054	1.4
79.05482	15.1
81.07062	25.9
83.04964	4.2
83.08591	4.7
85.06546	2.9
91.05479	26.0
93.07044	26.6
95.04959	9.8
95.08602	21.1
97.06511	5.8
99.08105	1.6
103.05468	1.2
104.14009	1.5
105.07034	46.4
107.04920	6.9
107.08598	26.0
109.06509	4.1
109.10155	23.4
110.63718	1.2
111.08064	3.2
115.31384	1.4
116.06264	1.6
117.07005	8.8
119.08582	50.7
121.06490	3.9
121.10155	20.7
123.04353	1.6
123.08051	3.8
123.11756	6.2
125.09604	3.1
127.11230	1.7
128.06253	1.6
129.06984	2.8
130.07729	1.8
131.08578	20.0
133.06508	3.0
133.10136	17.2
135.08037	3.5
135.11703	15.1
137.09596	4.7
137.13231	1.4
143.08534	3.3
145.06497	2.9
145.09045	2.0
145.10127	25.4
147.08012	3.0
147.11690	100.0
149.09631	6.3
149.13243	6.9
151.11115	1.6
155.08525	1.9
156.71606	1.4
157.10075	2.6
159.08032	3.6
159.11693	21.6
161.13271	8.6
163.11197	2.6
164.95493	1.6
171.11667	3.1
173.05983	2.3
173.09644	3.4
173.13274	17.6
175.11186	3.1
175.14836	14.5
177.09096	1.6
177.12727	3.8
182.10867	1.8
186.95148	1.3
187.02742	4.1
187.07611	1.4
187.14915	6.1
189.12704	2.8
189.16330	1.7
191.03429	7.9
191.14305	7.2
197.13210	4.3
205.15933	1.6
205.19511	3.3
215.07063	1.3
215.14574	6.9
215.17950	33.1
233.08122	8.8
233.11601	5.8
233.15381	36.6
233.18982	43.6
233.22874	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	233.1538
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
55.01865	1.3
55.05516	3.5
56.96555	2.1
57.03434	1.0
57.07071	1.5
59.04982	0.9
67.05504	6.7
69.03434	4.5
69.07066	3.6
70.06599	0.8
71.04982	1.6
71.57362	1.1
72.08146	0.7
74.06083	1.3
79.05506	6.9
80.36292	0.6
81.03413	1.1
81.07069	7.1
81.08359	0.6
82.07378	0.6
83.04973	1.8
83.08636	1.3
84.08183	0.7
85.06515	1.5
86.09698	1.5
91.05483	8.6
93.07053	6.7
95.04973	6.0
95.08619	5.2
97.02839	0.8
97.06526	1.1
98.97589	1.7
103.05486	0.9
105.07030	11.1
107.04969	5.7
107.08601	7.6
109.02892	0.8
109.06496	2.7
109.10161	4.3
111.08051	1.1
115.05444	2.0
116.98597	1.1
117.07035	4.2
119.08598	11.8
121.06512	6.6
121.10216	4.6
123.08048	1.5
123.11673	0.8
129.06995	2.3
130.07776	1.6
131.00171	1.0
131.04909	0.8
131.08582	12.3
132.10213	0.9
133.02841	1.1
133.10164	5.4
135.08032	1.8
135.11696	2.6
137.09604	1.0
141.06990	1.0
143.08585	2.4
144.09302	1.1
145.06505	1.4
145.10143	12.6
147.04385	0.9
147.08055	1.2
147.11722	6.4
149.09662	4.7
149.13275	1.0
155.08563	1.5
156.09343	1.7
157.10155	3.6
159.04523	0.7
159.08054	9.6
159.11708	5.8
161.02391	0.8
161.13232	1.8
163.03891	0.8
163.11169	1.2
168.98003	0.8
169.10097	1.5
171.11703	1.8
172.12494	1.0
173.08287	0.7
173.09595	3.3
173.13243	5.8
174.36086	0.7
175.11237	2.1
175.14819	1.3
177.05540	0.8
177.09123	2.1
179.03496	1.2
182.10880	3.6
187.02893	0.8
187.07626	1.1
187.11211	1.5
187.14812	5.4
188.08289	1.1
189.09164	1.0
189.12784	2.2
189.19620	0.7
191.03412	24.2
191.14352	4.6
197.13301	8.5
200.11952	1.7
205.12199	1.0
205.15964	0.8
215.07065	1.5
215.10919	1.2
215.14342	22.0
215.17679	4.5
233.08049	12.2
233.11664	3.1
233.15372	100.0
233.18707	6.4
233.22223	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03930	2.3
55.01860	2.6
55.05510	8.0
57.03421	1.7
57.07066	1.2
59.04988	0.9
63.46368	0.6
65.03939	1.0
67.05505	18.6
69.07066	9.7
69.39421	1.1
69.39827	4.1
71.04979	2.6
73.06535	1.2
74.31577	0.6
77.03886	0.7
79.05495	26.4
81.03403	1.8
81.07058	19.5
83.04963	2.8
83.08606	2.8
84.27525	0.6
85.06524	1.5
85.99296	0.6
91.05482	64.8
93.07047	18.5
95.04981	5.2
95.08057	0.8
95.08607	11.6
97.06519	2.9
97.10159	1.1
103.05467	5.1
105.07032	63.9
107.04957	9.8
107.08591	10.2
109.06525	3.1
109.10143	2.4
111.08061	0.9
115.05488	1.4
116.06231	0.9
117.06220	1.2
117.07020	16.0
118.07809	0.7
119.08582	42.5
121.06499	8.0
121.10155	5.8
123.08076	2.5
123.11709	1.2
128.06195	0.7
129.07008	6.4
131.08571	35.5
133.06493	2.9
133.10132	9.5
135.08083	4.5
135.11681	1.8
137.09636	1.2
141.06981	2.7
143.08574	3.2
145.06458	1.4
145.10127	10.9
147.08035	3.5
147.11734	1.1
149.09634	2.2
149.13226	0.7
155.08545	4.5
156.09277	0.7
157.10162	1.2
159.08047	2.0
159.11703	4.6
163.07681	0.8
167.08472	0.6
168.09204	0.7
169.10197	4.4
171.11693	6.7
173.09584	1.8
173.13269	9.0
185.13298	0.6
186.96739	1.1
187.11166	1.8
187.14796	8.5
189.12704	0.9
191.14296	1.6
197.13268	8.7
205.15849	4.2
212.38045	0.6
215.14333	10.3
233.15361	100.0
233.19116	2.6
233.22696	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03938	1.8
55.01864	0.8
55.05515	2.8
56.96569	2.5
57.03428	0.5
57.07065	1.9
59.04981	0.5
67.05509	3.9
68.47285	0.4
69.03426	5.4
69.07060	1.4
70.39105	1.0
70.39506	0.8
71.04982	1.5
77.03905	0.6
79.05496	34.7
81.03415	0.7
81.07063	4.6
83.04986	2.7
83.08629	3.6
85.02901	0.6
85.06549	3.7
91.05484	6.6
91.84864	0.5
92.26632	0.5
93.07049	6.5
95.04981	7.6
95.08617	4.0
97.06522	1.9
98.97550	0.5
105.00240	0.5
105.04514	1.2
105.07040	11.1
105.62385	0.5
107.04961	37.4
107.08599	9.7
109.06544	2.2
109.10166	1.5
111.04436	1.0
111.08084	3.8
112.99160	0.6
113.05966	1.3
115.05446	0.6
117.07026	4.5
119.08587	13.9
121.06512	2.8
121.10140	4.7
123.08041	1.4
125.09621	2.3
129.07007	1.9
130.07755	0.9
131.00150	0.6
131.08577	13.1
133.06483	1.4
133.10138	9.1
135.08073	3.7
135.11684	1.0
137.09625	4.9
141.06990	0.9
142.07858	2.2
143.08609	2.6
145.06470	0.6
145.10130	13.1
146.10934	1.4
147.08051	14.3
147.09215	0.7
147.11702	15.0
149.01212	0.6
149.09612	6.4
149.13289	2.3
153.09087	0.7
155.08495	0.6
156.09340	1.4
157.10144	6.0
158.10909	2.1
159.08101	1.1
159.11652	1.5
160.08890	1.5
161.09639	0.7
161.13261	0.8
163.11194	3.2
167.08760	0.5
169.10147	1.1
171.11665	3.1
172.12480	1.2
173.05847	0.5
173.09615	1.1
173.13277	10.2
174.10475	1.0
175.11201	19.5
177.09201	0.7
182.10945	1.7
186.14137	0.5
187.02771	0.6
187.11136	0.8
187.14844	4.0
189.12767	7.1
191.14322	45.3
197.13264	2.7
205.15860	0.7
215.14330	8.5
233.15375	100.0
234.15810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.11727	0.6
53.03942	1.6
53.79020	0.6
55.01890	0.6
55.05513	3.6
56.96563	5.2
57.07056	1.1
67.05502	2.9
69.03435	3.8
69.07056	2.1
69.91527	2.1
73.92938	0.6
78.43877	0.4
79.05495	35.9
80.05847	0.5
81.03390	0.7
81.07059	3.7
83.04973	1.0
83.08615	4.1
85.06554	0.6
91.05482	4.3
93.07046	5.5
95.04969	2.7
95.08590	2.1
97.06519	1.3
98.21448	0.6
98.97584	1.3
105.04549	1.2
105.07029	6.9
105.54421	0.4
107.04958	42.3
107.08595	8.9
109.06503	1.1
109.10158	1.2
111.04478	0.6
111.08076	4.5
117.07007	1.8
119.08582	5.5
121.06502	1.6
121.10145	5.4
122.09727	0.4
123.08024	1.1
123.11668	0.8
125.09653	2.7
129.07042	0.8
131.00163	1.8
131.08568	4.5
133.06512	0.5
133.10141	4.8
135.08066	1.0
135.11729	0.5
137.09662	0.5
145.06508	0.6
145.10138	3.0
147.08041	0.8
147.11699	6.4
149.01248	2.7
149.09627	5.9
149.13286	2.3
150.10387	0.5
151.11137	0.5
155.08537	0.8
157.10155	2.2
158.10934	1.0
159.08038	0.7
159.11678	1.1
161.09595	0.6
163.07469	1.1
167.02290	0.8
169.10175	0.6
171.11604	0.8
173.09686	0.6
173.13257	5.2
175.02782	0.7
175.11192	7.3
177.05437	0.5
177.09007	0.7
182.10803	0.7
186.95320	0.5
187.14851	1.4
189.12720	0.9
191.14307	50.4
197.13295	1.2
203.10240	2.5
203.60187	0.8
212.10620	2.8
212.60905	1.0
215.14355	2.1
215.17931	0.8
223.61490	1.4
229.07698	0.5
233.15366	100.0
234.15761	0.9
243.08978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.05332	0.3
56.05040	15.6
56.96573	0.7
57.03441	2.8
58.06604	3.5
68.05052	0.4
70.06615	0.4
71.20236	0.6
73.02909	0.4
74.06085	100.0
84.04514	3.1
86.09709	19.6
98.09713	0.3
98.97591	0.9
101.07172	2.1
110.97659	0.4
132.10214	17.6
142.12247	0.8
143.11797	0.7
155.04596	0.5
169.13380	2.0
187.14424	10.6
212.06242	0.9
215.13893	4.9
233.14977	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	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05511	0.8
55.93274	0.5
56.05040	15.4
56.96566	4.3
57.03442	2.5
58.06609	3.1
60.78887	0.4
61.02923	1.8
62.18174	0.4
69.03425	0.9
69.07072	1.4
69.92513	2.1
70.06616	0.5
72.08162	4.2
73.02924	0.8
74.06084	100.0
75.30470	0.4
82.99863	1.0
84.04517	2.6
85.01424	0.9
85.02890	0.8
85.82281	0.4
86.09711	33.5
86.99070	0.6
87.04475	0.8
95.95311	0.3
97.02917	0.7
98.20847	0.5
98.97601	1.4
100.99172	1.8
101.00891	7.6
101.07158	1.6
103.00666	1.0
103.02451	1.4
110.97609	1.3
113.00886	1.1
115.02420	2.5
119.01924	9.2
120.06586	0.6
121.01722	1.0
124.11263	0.5
128.02362	0.4
128.98636	1.5
130.08662	0.5
131.01895	2.1
132.10214	18.4
133.03473	15.6
137.02953	0.7
141.13911	0.5
142.12300	0.8
143.01894	4.3
143.11810	0.6
144.98138	0.8
145.03499	0.5
146.99739	0.6
147.01390	0.5
147.03249	1.2
149.02939	0.8
151.04553	3.0
152.07106	0.4
158.11797	0.9
158.99608	0.5
161.02968	6.1
162.99229	0.7
163.02832	0.6
165.00758	0.7
165.04062	0.4
169.13368	1.5
172.09741	1.8
172.97615	0.4
173.02950	7.7
173.10043	3.9
175.04579	0.5
175.25087	0.4
177.02431	0.4
187.01045	0.8
187.02840	0.8
187.04591	1.2
187.10942	0.6
187.12756	0.5
187.14417	11.7
189.03264	0.7
190.98683	1.5
191.02248	1.4
191.03987	11.4
201.02504	2.6
208.99619	1.9
210.02478	0.5
210.04344	0.6
215.04204	1.4
215.10474	0.4
215.13908	5.2
219.03481	0.6
233.05057	8.9
233.07434	0.4
233.08443	0.5
233.12254	4.3
233.15057	15.2
234.13422	1.3
251.06233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.3
56.96566	14.9
57.03427	2.0
61.02920	3.9
64.21763	0.7
69.03421	1.8
69.06715	0.7
69.07055	5.3
70.06577	1.1
70.98119	5.0
71.55933	1.3
71.56321	0.8
72.08139	1.0
73.02908	2.4
74.06085	7.1
81.03394	0.9
82.99830	7.0
84.04496	1.3
84.08118	1.8
84.96010	1.6
85.02903	3.0
86.09705	100.0
87.04456	0.9
88.99139	1.3
95.72443	0.7
97.02879	2.4
98.96932	1.1
98.97581	15.4
100.99113	1.3
101.00883	52.2
102.00946	2.1
102.05503	0.7
103.02437	1.6
110.97572	6.5
112.99140	3.3
113.00832	4.2
113.03461	1.3
115.01649	1.4
115.02431	20.2
116.98583	4.3
119.01921	49.7
120.02020	1.7
120.06580	4.6
121.01653	1.7
124.95458	1.2
127.03908	0.9
128.98586	5.4
131.00212	1.5
131.01889	8.5
132.10164	1.3
133.03470	88.3
134.99727	0.9
137.02957	4.6
142.56305	0.8
143.01895	16.8
145.01697	1.3
146.99652	2.7
149.01244	0.9
149.02968	4.3
151.04515	14.0
154.96526	2.0
155.01904	1.1
156.05106	1.3
158.99652	2.7
159.01137	0.8
161.02968	30.7
163.02696	1.1
167.02139	0.8
170.51038	1.1
170.95992	1.0
172.97598	6.3
173.02960	56.6
175.04529	1.5
177.00746	2.9
179.02101	1.0
187.00456	2.0
187.09930	1.5
188.97011	1.5
190.98660	7.0
191.04004	95.4
192.04327	1.1
201.02510	2.9
203.03990	1.3
205.01471	1.1
205.05540	1.6
208.99678	3.7
209.03264	1.1
210.04254	1.1
214.05634	1.2
215.04108	1.3
215.09424	2.1
215.13916	2.7
219.03656	1.3
220.99591	0.9
232.96437	1.4
232.99951	4.0
233.05074	56.4
233.10443	3.6
233.14810	4.2
251.00606	4.3
251.06171	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57690	8.1
53.50420	7.7
56.96561	21.2
69.07069	8.4
70.36913	27.3
72.08147	29.1
74.74036	8.0
82.99841	12.9
86.09716	92.9
94.06644	8.4
94.93029	19.1
95.88827	7.5
96.92803	32.8
98.97579	15.6
101.00903	34.3
115.02437	24.1
119.01946	45.2
133.03487	51.8
135.38206	8.4
139.38104	9.2
143.01913	28.9
146.99605	11.4
161.02971	51.5
165.44057	8.4
172.09656	20.5
173.02945	37.6
173.10071	94.8
184.50063	7.8
190.98750	9.8
191.04054	53.1
193.44426	8.2
220.36230	7.7
232.88429	10.9
233.04790	34.0
233.12167	100.0
234.13412	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	233.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.05507	3.1
56.05045	9.0
56.89518	0.8
56.96568	100.0
57.03437	7.0
58.06588	1.7
58.99853	1.4
61.02928	11.1
67.05496	1.8
69.03407	4.0
69.07068	2.5
70.06578	4.2
70.98126	18.2
70.99862	2.9
71.56098	1.8
71.95262	1.0
72.08157	11.3
72.96050	1.2
73.01439	1.5
73.02514	1.0
73.02920	17.6
74.06084	46.1
74.97592	1.8
75.16183	0.8
81.03430	1.3
81.07074	1.3
81.21877	0.9
82.99846	3.2
84.04499	5.2
84.08135	4.9
84.96037	6.3
84.99232	0.9
85.01395	3.8
85.02910	10.5
86.09710	42.4
87.04444	1.5
88.03979	2.4
88.99151	5.6
89.00819	1.7
91.02448	1.8
91.05482	1.5
92.04305	0.9
95.01325	2.7
95.04993	1.1
97.02891	4.4
97.06555	1.0
98.97588	36.0
99.97949	0.9
100.99153	24.9
100.99835	1.2
101.00893	29.4
101.01567	1.8
101.07121	1.1
102.00993	1.1
103.00632	2.9
103.02453	9.5
105.03984	1.2
109.01332	1.2
110.02158	2.5
110.07160	1.4
110.68909	0.9
110.97573	23.6
112.99140	5.0
113.00875	5.1
115.01428	1.6
115.02431	11.6
116.02138	2.1
116.07222	1.0
116.98634	16.1
117.01861	5.7
117.02975	0.8
118.08645	1.2
119.00195	9.3
119.01923	42.1
119.04909	1.1
120.02067	3.2
120.06596	1.2
121.01671	6.7
121.03476	1.7
121.25365	0.8
123.01167	1.5
125.02652	4.5
126.97050	4.6
127.00678	1.1
127.02402	1.3
127.03923	2.1
128.98607	26.2
129.03879	0.8
129.07114	0.9
129.10239	1.5
129.88419	0.8
130.01869	3.5
131.00166	6.6
131.01877	11.9
132.00677	0.9
132.10214	8.9
132.95853	1.1
133.01704	2.7
133.03471	55.9
134.99655	6.1
135.03142	1.6
136.01880	1.2
136.07507	1.3
137.02899	5.2
137.05927	1.0
138.01585	1.6
139.02481	2.2
142.08594	1.2
143.00151	1.6
143.01888	19.5
143.02879	1.8
144.98097	12.3
145.01682	2.7
145.03494	4.2
146.99658	19.5
147.01353	1.5
147.03256	1.9
147.04333	1.3
149.01180	3.9
149.02892	5.2
150.96941	1.3
151.00578	1.3
151.02673	2.2
151.04533	13.3
152.01295	1.7
154.96518	4.0
155.01894	2.1
156.07700	1.8
156.99814	1.1
157.03522	3.5
158.04518	1.1
158.11716	1.0
158.99672	3.5
161.01131	1.9
161.01445	1.9
161.02965	30.6
162.03017	1.9
162.99150	9.2
163.02745	6.3
163.04562	2.5
165.00726	12.1
167.02054	1.4
167.03928	1.2
168.98123	2.2
169.01947	1.1
169.03525	4.0
170.99725	2.8
171.01347	2.0
172.97591	19.5
173.01640	4.4
173.03044	19.6
173.10039	1.4
175.00894	6.9
175.04535	2.7
177.00716	3.9
177.02486	3.7
181.00244	1.1
182.02406	34.6
182.52478	3.4
183.01825	3.4
185.02997	2.7
186.96953	1.3
186.99199	3.0
187.00922	3.8
187.02748	6.9
187.04550	10.8
187.09853	1.2
187.14479	5.0
188.02446	1.1
188.97052	1.4
189.00693	3.4
189.02533	3.5
190.00888	1.0
190.98648	47.3
191.02390	17.0
191.04037	38.1
191.05760	1.8
191.99040	1.3
193.01976	1.3
193.53262	1.4
195.03291	2.7
197.02975	3.6
198.07854	1.0
200.54649	2.2
200.56288	1.9
201.00804	1.2
201.02521	3.7
203.04088	1.9
205.00172	2.0
205.03844	1.9
205.05698	1.3
207.01836	2.9
207.03625	1.2
208.99713	41.1
209.03050	5.0
210.00116	1.4
210.04413	5.1
213.03476	1.8
214.00247	1.4
214.98607	1.2
215.04047	9.3
215.09499	2.7
215.13983	3.1
217.01971	1.8
218.98128	2.5
219.01724	1.7
219.03639	1.7
220.99591	1.0
221.01532	1.2
227.00786	4.0
229.02031	2.5
232.96558	1.7
232.99756	7.1
233.03546	3.3
233.05107	50.3
233.10564	3.9
233.14894	8.5
233.16869	1.2
242.99876	2.1
247.02963	1.2
250.97453	1.1
251.00771	5.5
251.06201	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	233.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	10.4
56.05029	19.9
56.96551	28.4
57.03428	7.7
59.30782	6.7
61.02917	13.5
64.78615	6.6
70.99919	19.5
72.08156	44.6
74.06078	100.0
84.96077	7.4
85.09070	6.8
86.09708	60.7
101.00895	63.8
103.02462	8.0
110.97575	9.2
112.31154	6.8
115.02426	20.5
119.01938	68.4
128.98685	7.7
131.01884	12.3
132.10197	14.4
133.03464	95.5
143.01913	54.9
145.03409	8.8
151.04491	19.7
155.75575	6.9
161.02971	54.1
173.02998	38.6
173.10016	18.3
175.04488	7.1
177.02534	8.3
180.00833	7.6
187.14447	9.5
190.98648	12.3
191.04004	61.6
201.02377	16.8
208.99753	9.4
233.00569	17.0
233.04871	36.3
233.12062	19.9
233.14897	18.2
234.13600	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	232.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
53.33342	1.2
55.01873	7.6
55.05509	5.2
56.05032	3.0
56.96567	77.2
57.03435	27.0
60.04529	3.5
60.95866	2.7
61.02671	1.5
61.02931	13.3
67.05501	2.8
68.05026	3.8
69.03427	24.9
69.07056	2.6
69.95679	1.3
70.00829	6.9
70.01103	1.6
70.06588	23.2
71.01353	2.4
71.04994	7.2
71.95262	2.0
72.08160	16.6
73.02920	38.6
74.06097	2.1
74.97607	2.4
81.03410	10.0
81.07052	2.1
82.06573	4.4
82.45882	1.6
83.00812	2.0
84.04497	2.5
84.08147	14.5
84.96025	7.9
85.02909	64.9
85.06427	1.2
86.09693	8.7
87.01079	1.4
87.04454	5.8
87.10046	1.8
88.03997	3.5
88.07612	1.9
89.00771	3.6
90.01560	1.7
91.03960	3.7
91.05474	5.3
93.01042	1.5
95.00778	4.6
97.02895	31.9
97.06546	2.6
97.99135	1.4
98.01311	2.1
98.06040	1.9
98.97585	100.0
99.04446	5.1
99.97920	2.0
100.03973	1.9
100.07652	1.7
100.99158	18.9
101.00761	10.9
101.02427	2.0
102.01552	2.2
103.03953	1.5
104.01256	4.9
109.02885	6.2
110.01279	21.2
110.97575	60.1
112.07628	9.4
112.08691	1.8
112.99149	2.0
115.03933	2.0
115.08723	1.9
116.01270	4.3
116.07120	4.1
116.98621	33.4
117.02037	4.7
119.00225	7.3
119.01815	28.4
119.04950	5.3
120.02045	2.5
121.06609	1.5
122.01228	1.9
124.11229	1.8
124.99078	4.4
125.01796	4.8
126.09177	1.7
126.97047	4.9
127.03926	14.6
128.01451	1.7
128.02296	8.4
128.07057	9.3
128.98605	48.5
129.10245	4.4
130.08649	7.9
131.00226	8.6
131.01846	10.5
133.01604	1.6
133.06137	2.2
134.01247	2.5
134.99667	6.6
137.01773	6.2
137.05966	5.6
138.02606	1.6
140.02295	18.2
140.98631	4.0
142.08630	5.5
142.12317	7.0
143.00180	9.4
143.01854	10.1
144.02544	2.5
144.98126	12.4
145.01726	4.8
145.04997	9.9
146.02295	25.5
146.03409	3.4
146.99634	26.4
147.04387	14.8
149.01195	11.7
149.02850	5.9
149.12115	1.8
152.02312	15.0
152.07043	2.3
152.98595	4.6
153.03142	2.2
154.08571	2.0
155.00185	2.1
155.02834	19.8
156.10229	5.1
157.03621	1.9
158.99666	23.0
160.02635	18.8
160.06349	2.3
161.01300	3.8
161.02853	26.5
161.04236	2.2
161.04701	1.4
161.53102	1.7
162.99197	6.0
163.53105	1.6
164.03378	3.2
165.00681	9.8
167.02754	1.9
168.05440	2.9
169.02589	4.2
170.03384	8.9
170.08136	3.7
170.11746	9.9
170.99655	32.3
171.01042	2.5
172.02705	5.2
172.09689	65.6
172.97617	6.0
173.01283	2.5
173.02858	9.6
175.11958	2.2
177.00700	15.3
178.03687	13.4
182.03352	43.7
182.04895	2.9
182.99701	6.5
183.01828	2.7
185.01318	1.6
186.04454	2.6
186.07678	2.8
187.04636	1.7
188.09206	15.6
188.10895	1.9
188.12779	8.8
189.00682	31.9
190.03809	18.7
190.98642	27.9
191.02274	9.4
191.03871	80.3
200.04422	94.9
200.05942	5.6
200.54628	3.9
201.00677	13.8
201.04872	1.8
206.04227	1.6
207.01752	4.0
208.01381	2.2
208.04697	14.1
208.99690	42.8
209.01610	2.5
209.04936	26.4
211.55229	6.8
212.02290	1.6
214.00386	2.9
214.03879	9.5
214.07452	3.1
214.10715	4.2
217.00246	1.9
219.01781	16.8
227.00777	4.8
231.01822	3.3
232.01405	2.4
232.05040	10.6
232.11830	64.0
232.14024	7.5
232.17012	6.1
237.02831	13.2
243.01830	2.6
249.02843	1.9
250.05713	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	231.586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47118	3.2
55.05506	9.1
56.96566	30.6
57.03440	38.4
60.04535	5.0
61.02926	10.3
67.05497	5.4
67.66273	3.9
69.03441	38.6
69.07040	4.5
70.06591	10.3
71.08617	11.4
72.08174	27.5
72.92274	3.8
73.02925	83.7
81.03412	4.5
81.07047	7.4
84.08142	7.0
84.96030	10.6
85.02901	14.0
86.09705	16.0
91.05477	4.6
93.07015	4.2
95.08598	4.4
97.02888	16.8
98.06033	3.5
98.20688	7.9
98.97589	100.0
105.07021	5.7
106.67126	3.5
109.02864	4.3
110.97555	35.1
112.99140	11.3
115.03905	8.6
116.98613	28.4
121.10138	5.2
125.01787	6.5
127.03895	7.0
128.98608	30.0
131.00182	5.4
131.01807	7.3
134.99652	6.1
140.02367	4.8
140.98581	5.3
143.00111	7.8
144.98138	5.6
146.02274	8.0
146.99663	7.1
152.98625	7.1
155.02832	8.1
158.99672	18.4
161.01225	3.8
161.02901	4.2
167.02896	7.3
170.99606	22.9
172.24336	4.0
173.01231	4.6
176.03317	5.5
177.00728	13.2
178.86433	4.0
188.64502	3.7
189.00731	30.9
201.00789	5.2
201.13568	9.1
204.62779	4.0
211.07274	63.8
211.57407	4.9
219.01755	17.3
220.07796	73.4
229.08385	32.6
231.01787	13.5
231.06340	5.7
231.10135	6.6
231.58772	5.7
232.17081	4.6
237.02803	15.4
240.59021	3.9
249.02859	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	231.1704
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.03945	0.3
55.05515	9.7
56.05014	0.3
57.05813	0.9
66.08602	0.3
70.84138	0.5
70.84476	0.2
72.08157	100.0
84.08124	0.2
86.06138	0.3
86.09710	4.6
97.87634	0.2
109.06655	0.2
113.75771	0.2
116.04948	0.3
116.90104	0.2
119.04993	0.4
124.99139	0.5
132.10205	3.8
147.04396	1.3
148.04773	0.8
185.16467	1.4
203.02214	0.2
231.17047	5.2
236.20337	0.2
249.03038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40018	0.3
55.05508	0.6
55.15115	0.4
56.05025	1.0
56.96569	8.9
57.03423	0.8
60.04525	0.7
60.05634	0.5
61.02917	0.6
63.56954	0.4
67.05513	0.4
69.00901	0.9
69.03418	1.0
69.07048	1.3
69.85625	1.4
69.86040	0.8
70.06593	3.5
70.98122	0.6
70.99855	0.7
71.04966	0.5
71.95271	0.4
72.08157	5.1
73.02911	0.9
74.02428	0.5
81.03411	0.5
82.99838	1.2
84.04491	1.6
84.08153	6.4
84.96026	1.6
85.01398	1.0
85.02905	1.1
85.06542	0.7
85.08478	0.6
86.02434	14.5
86.09228	0.6
86.09715	11.1
87.10044	0.5
88.03979	0.6
88.12312	0.4
91.02470	0.7
91.05468	1.8
92.05767	0.6
97.02879	1.3
97.99167	0.5
98.97591	11.4
101.00888	11.3
103.00639	1.5
103.02464	1.3
104.03452	1.4
109.02880	0.4
110.97570	1.5
112.08769	0.5
112.99152	1.3
113.00864	1.2
113.03493	22.6
114.19463	0.4
115.02425	1.2
116.07088	0.7
116.98624	5.1
117.04012	1.1
117.98960	0.6
119.01927	18.0
119.04890	2.4
120.05269	1.1
121.01690	1.9
124.99105	3.6
125.99440	0.6
127.00607	0.6
127.01417	1.2
127.02307	0.6
127.03844	0.4
128.00172	0.4
128.07033	0.9
128.98590	1.2
129.00366	0.8
129.03961	0.5
129.10228	3.0
130.04977	0.6
130.08568	0.6
130.10526	0.5
131.00185	1.2
131.01927	3.2
133.01653	1.0
133.03462	3.3
134.99666	1.4
135.03177	0.5
137.02905	1.9
139.02435	0.7
140.23236	0.4
141.04005	0.5
142.08650	0.7
142.96547	0.4
143.00214	4.8
143.01917	3.3
144.00504	0.6
144.98027	0.5
145.01712	1.0
145.03488	3.3
145.06085	4.4
146.01274	0.5
146.99689	0.7
147.01407	2.1
147.04361	7.5
147.11317	0.5
148.04756	4.9
149.01151	1.2
149.02982	3.8
149.04880	0.4
150.00711	0.5
151.04620	0.5
155.01973	0.6
156.04044	100.0
157.03426	2.4
158.99582	0.9
159.01408	1.1
159.05037	1.0
161.01337	3.1
161.02963	8.1
163.02751	0.8
163.04512	1.2
165.00641	0.5
167.01904	2.6
167.03979	0.6
170.99681	1.2
171.01370	7.2
171.05086	0.8
172.09682	0.6
173.02899	2.0
174.99266	0.7
175.00873	0.7
175.04565	0.6
177.00746	1.1
179.04021	0.4
182.01990	2.7
182.03362	0.6
184.97525	0.5
185.01225	1.5
185.02951	14.8
185.06587	1.2
187.02982	0.5
187.10890	1.6
188.06665	11.1
189.00746	2.6
189.02444	21.2
189.06061	1.4
191.03972	1.5
193.15126	0.4
199.04639	5.4
201.02467	1.2
203.02263	0.9
203.04053	4.0
203.07722	1.3
205.03816	0.9
207.01755	1.4
207.03481	2.3
208.04568	8.3
208.99672	0.6
212.04048	0.6
213.02405	0.7
213.13290	0.7
217.00183	0.6
219.03609	2.2
226.05658	0.6
231.03316	5.0
231.06885	2.1
231.16840	0.6
232.11845	0.5
249.02492	0.8
249.04828	2.4
249.08382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22734	1.0
53.03931	1.4
55.01869	2.2
55.05263	1.4
55.05512	21.1
57.02003	1.0
57.03431	6.1
57.07064	2.9
59.04990	1.4
60.08150	1.8
66.66733	1.1
67.05506	51.2
69.03416	2.1
69.06718	1.8
69.07066	23.5
69.80591	5.7
71.04995	11.6
73.06544	2.2
73.46402	1.0
79.05497	15.3
81.07057	76.3
83.04971	4.8
83.08631	16.1
85.06542	16.7
89.90211	0.9
91.05481	21.0
93.07043	19.4
94.36546	1.1
95.04976	1.5
95.08607	100.0
97.06532	23.5
97.10162	8.2
99.08102	12.9
101.06010	1.2
105.07037	26.3
105.08516	1.0
107.08588	9.6
109.06516	3.0
109.10160	28.4
111.08065	7.3
113.09644	3.3
115.07555	2.9
117.07037	5.3
119.08578	34.9
121.10149	12.0
123.08066	5.5
125.69801	1.1
127.07533	1.3
129.09094	1.4
131.08563	9.5
133.10136	26.0
135.11705	13.7
137.09616	4.4
137.13248	11.9
141.09065	1.4
143.08553	1.4
145.10136	5.4
146.91821	1.7
147.11673	4.4
149.13286	1.5
151.11198	1.2
151.14850	2.4
155.10675	3.1
157.10100	1.3
159.11696	1.7
161.13258	77.2
169.10652	1.0
171.11699	1.0
173.11768	4.9
173.13097	1.4
179.14310	59.2
193.12186	1.2
197.15370	17.8
199.16820	1.1
201.16484	1.2
208.03148	1.3
211.14909	1.8
211.16846	2.0
229.14156	8.3
229.17923	6.0
229.19884	8.8
229.27238	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	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98646	0.4
55.01857	0.3
55.95769	0.3
56.96568	23.4
57.03434	0.3
61.02906	0.3
66.49434	0.2
69.03442	0.2
69.07085	0.3
70.03280	1.0
70.06596	1.3
70.98116	0.7
71.95263	2.1
72.96054	1.3
73.19665	0.2
83.97649	1.4
84.04490	0.2
84.08144	1.0
84.96044	1.0
85.02882	0.4
86.09711	3.3
97.02901	0.3
97.06518	0.6
98.21879	0.2
98.97585	100.0
100.43227	0.2
101.00883	0.8
102.00948	1.1
103.00639	0.3
104.01280	0.2
106.99450	0.2
110.97565	0.7
116.00226	2.3
116.07126	0.3
116.98624	39.2
118.42344	0.2
119.01929	1.3
119.04924	0.4
120.02004	1.6
124.99113	0.4
126.02272	1.0
127.00724	0.3
128.98604	0.8
129.10263	0.5
131.00180	0.5
131.01901	0.4
132.01984	0.2
133.03447	0.3
134.00417	0.2
134.01260	1.5
134.08076	0.2
134.99667	8.6
140.00165	0.7
140.03825	2.1
140.10703	6.7
142.05431	2.2
142.89493	0.2
143.00185	0.7
143.01872	0.3
145.01619	0.2
146.99663	0.2
147.03287	0.3
147.04358	1.7
152.02419	0.3
153.00677	0.3
153.02260	0.3
158.04895	2.1
158.99605	0.3
160.06453	2.7
161.03000	0.5
161.04723	0.3
170.04839	1.2
171.03293	2.4
174.99101	0.3
178.07474	0.2
184.06392	0.3
186.11243	4.1
188.01003	0.7
188.05957	2.3
189.00710	0.8
189.04346	7.8
198.00754	0.5
202.07570	0.5
203.05881	0.3
206.07008	6.7
207.01799	0.6
207.05388	2.9
212.05974	0.8
212.12874	0.2
213.04349	0.5
216.00542	0.6
220.08621	0.2
224.08049	5.6
230.06990	15.1
230.13721	1.3
230.15814	1.1
231.05367	1.7
248.08067	18.1
249.06534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.83469	3.6
55.01872	14.8
55.05501	12.8
56.96574	5.8
57.03434	15.3
67.05168	7.4
67.05509	100.0
69.07050	19.0
71.05002	8.8
71.26874	4.8
79.05497	15.0
81.07064	91.0
83.08625	10.4
83.21200	4.6
85.06545	10.4
91.05466	21.8
93.07051	16.6
95.08601	23.1
97.06522	8.6
105.07040	22.8
107.08607	12.3
109.06566	7.3
109.10169	60.2
111.08102	4.3
117.07014	4.2
119.08589	29.4
121.10173	23.8
123.11722	33.3
133.10124	4.6
145.10201	6.3
147.11694	87.4
147.12801	6.4
150.88463	3.5
155.10641	8.0
165.12741	59.9
173.11760	17.6
176.09648	8.3
183.13893	5.4
185.10120	7.6
197.11720	5.2
229.14310	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.42168	0.7
53.03951	1.7
55.01873	1.3
55.05512	12.4
56.96574	4.7
57.03440	18.9
57.07076	1.1
59.05009	6.1
65.03947	2.1
67.05508	100.0
69.03429	1.8
69.07076	5.2
70.06602	1.3
71.04997	5.5
71.57066	0.7
79.05495	5.8
81.03400	3.3
81.07060	21.0
81.07525	1.4
83.04992	2.4
83.08622	9.5
84.96049	0.9
85.02913	2.5
85.06548	4.2
91.05478	9.5
93.07055	10.4
95.04978	2.3
95.08620	11.3
95.90852	0.8
97.02891	1.1
97.06540	1.9
98.97592	15.5
98.98196	1.1
99.08115	0.8
103.03941	1.9
103.05502	0.7
105.07054	4.1
107.08604	11.1
109.06531	1.3
109.10163	94.1
111.08074	4.9
112.99142	2.5
116.98641	4.2
119.01903	2.0
119.08575	8.3
121.10133	1.4
123.11691	1.2
127.03948	1.2
127.11229	1.6
128.98636	0.9
129.07004	1.3
131.00131	1.7
131.04933	1.8
133.10139	2.0
134.99681	0.8
135.11688	2.4
137.09619	5.9
139.67773	0.7
145.10135	1.3
146.91829	1.4
147.04437	1.1
147.11707	1.7
147.13248	0.8
149.01294	1.4
155.10680	9.8
158.99641	5.7
159.11688	0.8
173.01227	3.0
173.11755	27.9
177.00697	3.1
184.97528	0.9
191.02283	2.7
193.12270	3.0
195.07985	1.1
196.40254	0.7
201.00764	0.7
202.98608	1.3
207.09660	4.6
211.13237	3.7
211.15086	0.7
211.16911	2.7
219.01775	1.7
229.09244	3.3
229.14330	45.8
229.23515	1.1
244.99690	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03951	0.7
55.01877	5.5
55.05514	11.2
56.96575	2.3
57.03440	23.9
57.07074	1.7
59.05008	5.5
61.02940	0.7
65.03941	1.8
67.05508	100.0
69.03439	2.7
69.07069	4.4
70.06594	2.4
70.89456	1.3
71.01364	2.0
71.04996	7.3
71.07128	0.8
71.08636	1.9
73.02917	1.1
79.05497	5.2
80.48299	0.7
80.63017	0.6
81.03423	2.2
81.07063	18.5
81.07526	1.2
83.04984	1.5
83.08623	8.3
84.08154	0.8
85.02896	0.8
85.06555	3.3
86.09726	1.1
87.04424	0.6
91.05488	9.9
93.07046	7.0
95.04977	3.5
95.08614	8.7
97.02906	1.6
97.06533	1.6
98.97594	5.3
99.08088	1.2
101.02401	1.6
103.03941	1.4
105.07026	2.8
107.04996	0.9
107.08603	4.1
109.02917	1.8
109.06503	1.4
109.10162	96.7
109.31107	0.6
110.09743	0.8
111.08088	4.9
112.11250	1.7
112.99129	0.8
113.02371	3.8
116.07172	0.8
116.98614	1.8
119.01920	1.5
119.04919	0.8
119.08585	10.6
121.06514	0.8
121.10160	3.1
123.04446	1.1
123.08080	0.7
124.41218	0.6
125.02357	2.3
125.05994	0.7
125.09632	1.2
127.11197	0.6
128.02397	0.7
129.07014	1.4
131.00150	0.8
131.08574	1.9
133.10144	2.8
135.11716	0.7
137.09633	5.1
138.12782	1.6
139.03932	0.9
139.11188	0.8
147.04425	3.4
147.08017	1.0
147.11678	1.7
147.13300	2.1
149.09590	2.6
151.07521	1.6
155.07040	2.7
155.08437	0.6
155.10680	9.9
157.10124	1.6
158.99660	2.5
165.09149	4.4
167.10674	2.2
173.01218	1.9
173.11749	30.5
175.11177	1.2
177.00713	1.2
183.08055	0.6
188.04990	0.7
191.02310	1.3
193.08633	1.5
193.12204	2.0
194.19046	0.8
197.05727	4.0
206.06238	1.1
207.07794	1.2
211.13202	1.8
223.21701	1.1
228.64952	0.8
229.05080	0.9
229.10963	3.1
229.14330	48.5
244.99730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01872	8.2
55.05506	7.9
65.09586	3.7
67.05510	43.5
69.07071	15.3
69.80926	15.9
79.05489	9.6
81.07061	72.0
83.04982	7.9
83.08631	7.1
85.06548	7.4
91.05496	22.5
93.07058	16.1
95.04976	3.5
95.08621	15.5
97.06532	5.6
98.21491	3.8
99.08075	4.0
105.07030	27.2
107.08593	12.7
109.06512	3.9
109.10135	20.7
119.08588	25.6
121.10145	17.2
123.08080	3.0
123.11700	32.2
127.07524	3.6
131.08470	3.7
146.77364	3.2
147.11705	100.0
157.10175	8.9
165.12752	55.5
173.11688	4.6
175.11215	12.2
193.12291	11.2
229.14307	50.5
229.23615	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	6.6
55.05504	6.9
57.03436	7.2
61.17109	2.3
67.05508	44.9
69.03424	3.7
69.07091	8.8
70.67473	5.0
71.04992	2.7
79.05496	8.6
80.80858	1.6
81.07059	34.4
83.04982	13.6
83.08594	3.0
83.59415	1.6
85.06551	9.2
91.05483	30.2
93.07051	18.7
95.04982	2.4
95.08615	7.7
97.06586	2.0
99.08134	1.8
105.06380	3.0
105.07035	33.7
107.08604	33.5
107.59641	1.7
109.06528	5.6
109.10165	60.4
117.07005	1.7
119.08611	4.0
123.11709	14.8
131.08577	4.3
133.10136	100.0
143.08618	1.7
151.11192	95.9
159.11694	2.2
161.09615	4.6
170.99055	2.6
173.11751	2.1
179.10606	8.8
183.13829	22.2
197.12761	1.7
211.13228	2.1
225.79933	1.6
229.06882	2.0
229.14107	3.6
229.15993	4.2
229.19550	3.8
229.23520	5.1
238.44743	1.8
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	Ieodomycin C
Peak:m/z	Relative Intensity
53.03959	0.5
55.05511	3.6
55.05740	0.6
57.03446	3.4
57.07055	0.6
59.04989	1.0
62.21774	0.5
67.05511	24.2
69.03417	0.7
69.07070	8.7
69.07417	1.0
70.73890	0.5
70.74194	0.7
71.04999	3.5
75.04491	0.8
79.05495	1.2
81.07057	6.3
83.04981	1.2
83.08614	2.0
83.22449	0.4
83.46464	0.4
85.02922	0.7
85.06552	1.7
91.05488	2.8
93.07042	3.6
95.04977	6.0
95.08606	5.8
98.97556	0.6
101.06023	0.9
105.07032	2.1
107.08612	3.1
109.10165	100.0
110.10507	0.8
110.49881	0.5
111.08044	0.9
119.08575	6.2
121.06528	1.7
121.10144	0.9
123.11725	10.6
124.85773	0.5
125.09707	0.7
127.11202	36.0
131.08549	1.0
133.10146	8.9
135.11714	1.2
137.09630	7.9
137.10603	0.8
139.07571	1.1
143.06668	0.5
143.08539	1.2
145.10114	0.6
146.91786	0.8
147.11696	0.9
151.11197	3.5
155.08585	0.4
155.10686	8.4
161.09641	5.2
165.12766	0.5
167.14320	0.7
169.12259	2.8
173.11755	9.6
179.10692	12.8
183.13857	0.7
193.12115	0.5
197.11745	12.4
197.13477	0.9
211.13301	1.9
211.16962	1.9
229.09064	1.3
229.14246	6.5
231.95178	0.5
240.20772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.92035	1.6
55.01865	7.4
55.05508	14.2
57.03446	13.2
57.07066	5.4
59.04982	5.0
60.08170	13.3
61.08477	2.6
67.05507	80.8
69.07066	14.1
70.56731	2.3
70.57058	4.0
70.78252	1.8
71.04977	4.2
74.56411	2.1
79.05503	12.9
81.03438	2.0
81.07058	64.5
83.04983	3.9
83.08605	11.7
85.06528	6.0
91.05489	25.9
93.07048	13.1
95.04944	5.3
95.08610	11.8
97.06525	6.0
97.10152	2.6
99.08042	4.4
105.07039	29.1
107.08601	11.5
109.06512	6.7
109.10162	48.9
111.08061	2.6
113.06020	1.9
117.06989	4.2
119.08584	24.7
121.10157	18.4
123.08044	2.4
123.11714	25.2
127.07583	3.1
129.06996	6.8
131.08560	5.6
133.09200	1.9
133.10109	9.2
133.11052	2.1
137.09579	2.5
145.10135	5.1
147.11685	81.4
155.10690	5.1
157.10130	12.8
159.11716	4.0
165.12735	41.0
173.11766	16.4
173.13173	2.9
175.11174	13.2
176.10326	2.6
183.11356	1.8
183.13828	3.0
187.14764	2.0
193.12233	7.8
195.80298	1.7
196.91171	2.1
229.14323	68.8
229.19434	13.5
229.27202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05484	2.0
56.96560	3.7
57.03427	4.9
58.06592	4.8
60.08166	2.7
61.02913	7.7
67.05503	2.3
69.03429	6.7
69.07061	3.7
70.06596	51.5
70.69686	4.7
70.99841	2.5
72.08155	4.3
73.02921	10.5
77.49164	1.5
81.03420	5.1
81.08834	1.7
82.99843	3.6
84.04504	2.1
84.08096	2.0
85.01421	2.9
85.02914	14.4
86.09721	18.9
96.08159	2.1
97.01329	2.0
97.02888	13.5
98.97575	5.6
99.04436	2.3
99.55151	1.7
101.00883	44.8
103.02436	5.8
103.03085	1.5
106.13917	1.7
109.00514	1.9
110.02319	2.1
111.02923	3.5
113.00889	5.9
113.10760	1.8
114.05529	3.2
115.02405	4.6
116.07094	19.5
119.01929	71.7
121.03426	2.5
124.07590	3.9
126.98776	4.7
127.03913	5.5
128.02364	2.9
128.98581	2.4
131.01927	8.7
132.16873	1.9
133.03476	35.3
137.02992	9.8
139.04210	15.5
141.10172	1.9
142.03528	3.1
142.07542	2.6
142.08632	26.7
143.01888	3.3
144.99806	5.8
145.03464	3.7
148.04753	35.3
151.04552	8.2
157.03477	2.3
158.01781	2.0
159.01302	1.8
161.01192	3.3
161.02919	4.3
163.02647	2.6
165.04002	2.3
166.08748	2.2
168.01793	2.4
168.99820	13.6
172.99321	2.5
173.02968	3.7
175.02893	2.5
175.04529	26.1
177.29887	1.9
183.04974	2.4
183.11238	2.6
185.06743	1.7
187.00903	23.3
187.04535	6.3
191.04057	2.1
196.99335	5.1
197.01059	3.1
201.02562	2.1
203.04106	1.8
205.02013	4.9
213.03337	1.9
215.00363	25.0
215.02238	3.2
220.06755	4.2
228.55844	3.4
229.03708	2.3
229.05614	3.0
229.15489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	7.3
69.89900	1.0
69.90285	2.2
73.02915	1.1
74.97633	0.4
84.08136	0.8
85.02904	0.8
95.06101	3.7
97.02889	1.0
98.97585	4.5
112.07633	0.8
112.08746	0.9
116.98659	0.9
119.01874	0.5
124.00670	0.4
131.00185	1.2
138.02299	1.3
142.01778	0.5
147.03127	1.5
147.04343	0.5
149.01222	1.2
156.03336	80.1
157.91527	0.4
168.03331	35.7
174.04396	41.5
186.04393	100.0
192.05472	2.5
193.13394	0.5
197.06042	0.6
204.05452	44.1
209.06007	1.5
210.16005	0.6
211.14424	0.9
222.06468	0.9
227.06912	0.7
228.05463	22.9
228.17091	5.6
246.06535	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01869	3.2
55.05516	15.5
57.03442	12.2
57.07070	2.7
65.03936	1.7
67.05510	72.9
69.03422	1.0
69.06725	1.4
69.07073	21.2
71.04998	7.4
73.02904	1.5
75.07186	0.8
79.05499	34.6
81.03426	3.1
81.07063	100.0
83.04985	9.9
83.08617	17.0
85.06557	6.3
87.74490	0.8
91.05487	18.8
93.07050	59.0
95.04966	4.5
95.08614	28.6
97.06538	16.0
97.10165	1.4
99.04451	1.2
99.08083	4.5
100.11244	2.8
101.43237	0.8
101.62424	0.8
101.85816	0.9
105.04504	1.1
105.07038	7.7
107.08607	31.6
109.06509	2.5
109.10141	3.2
111.08083	9.2
113.06054	1.5
117.07034	12.9
119.08549	2.0
121.06485	1.7
121.09322	1.4
121.10146	17.6
123.08084	1.0
123.11690	2.2
125.09617	1.8
131.08586	12.0
131.21635	0.8
133.10141	13.4
135.08049	2.9
135.11693	17.5
145.10153	1.0
147.11700	2.1
149.09685	1.3
149.13266	63.4
151.11191	1.8
157.10124	1.7
159.11696	28.9
159.13029	1.5
167.14282	2.2
177.12767	14.5
195.13826	22.7
213.14926	1.4
227.18028	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03940	2.1
55.05514	9.9
56.96552	2.2
57.03418	6.5
57.07082	8.0
59.04981	6.2
61.02922	1.8
67.05507	11.3
69.03434	8.5
69.06793	1.4
69.07066	15.9
69.92916	1.3
71.04991	26.4
71.28125	2.3
73.02917	2.8
73.06521	1.9
79.05497	9.4
81.07063	19.9
83.04988	9.3
83.08622	10.8
85.02901	3.5
85.06551	12.2
86.09689	2.3
90.53321	1.6
91.05486	10.3
93.06482	1.8
93.07050	25.9
95.04971	100.0
95.08064	1.8
95.08614	19.0
97.06533	22.2
97.10146	6.9
98.97582	3.4
99.04463	12.3
99.07491	2.2
99.08093	30.5
100.11230	5.1
101.00868	2.1
105.07027	18.3
107.04949	1.8
107.08597	32.5
109.06511	19.9
109.10169	17.1
111.08082	8.9
113.09644	2.3
113.99007	1.6
115.07545	7.0
119.01892	2.3
119.08578	15.8
121.06493	4.1
121.09335	2.5
121.10152	38.5
122.53465	1.5
123.04420	1.8
123.08073	3.9
123.11714	10.0
125.09628	12.6
125.13269	2.3
127.07559	14.9
131.08582	8.3
133.09111	2.2
133.10130	38.6
135.08087	8.4
135.11700	12.2
137.09583	6.4
139.07515	2.7
139.11191	13.7
143.01891	6.3
143.08504	2.1
143.10666	14.1
145.03421	2.4
145.10114	2.9
147.11691	12.3
149.09613	3.3
149.13274	14.5
151.11139	6.5
153.07907	2.8
153.09103	37.8
157.03329	1.7
158.10895	2.6
161.02924	3.4
161.08264	1.5
163.11150	1.9
163.14824	7.7
165.12720	4.1
167.07005	5.7
171.10175	27.2
173.13266	20.1
177.05399	1.7
181.04903	3.4
188.76169	2.9
191.14297	20.4
202.14349	2.0
203.14401	1.6
206.09680	5.2
209.11778	2.0
209.15379	25.9
214.12666	1.7
227.16400	86.1
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	Unknow
Peak:m/z	Relative Intensity
55.01878	8.2
55.05517	33.3
57.03429	17.4
58.24715	3.8
62.54305	5.0
67.05509	93.2
69.03429	6.4
69.07081	33.3
71.04984	13.8
71.08638	6.1
71.57308	7.0
79.05503	55.4
79.19581	5.1
81.03391	6.0
81.07056	100.0
83.04975	17.4
83.08611	28.0
85.02911	11.3
85.06548	10.0
91.05480	28.5
93.07059	87.2
95.04984	8.3
95.08636	31.1
95.09138	7.3
97.06509	18.3
97.10157	13.7
97.25320	4.3
99.08117	6.3
100.11252	42.5
105.07033	13.5
107.08593	46.0
109.06514	6.3
109.10128	10.0
111.08061	6.8
114.80525	4.9
117.07007	11.4
121.10133	27.0
123.08131	5.1
125.09605	13.4
129.06947	6.0
131.08548	18.8
133.10123	11.0
135.08055	7.9
135.11729	33.9
145.10124	7.4
149.13243	54.7
153.12711	9.4
155.05132	4.8
159.11693	29.0
163.11182	10.6
166.07721	5.5
177.12715	10.5
181.12283	7.8
191.10703	6.2
195.13814	23.7
199.11209	5.4
209.09618	5.8
209.11620	8.2
209.16559	6.8
227.10532	14.4
227.12671	11.3
227.17874	19.2
227.20078	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01873	3.6
55.05514	18.2
56.17013	1.2
57.03442	13.7
57.07057	2.1
60.45232	1.4
65.03944	1.7
67.05511	77.6
69.07077	22.3
69.39779	3.2
69.40176	8.6
71.04986	9.9
73.02914	1.7
74.49110	1.2
77.03932	2.0
79.05498	36.1
81.03409	4.3
81.07063	100.0
83.04993	9.3
83.08619	19.7
85.02872	3.0
85.06532	5.5
91.05486	22.3
93.07051	68.8
95.04968	5.1
95.08611	30.9
97.06548	12.9
97.10166	1.5
98.21700	1.4
99.04475	1.5
99.08086	3.7
100.11246	4.0
105.07037	10.0
107.04967	2.8
107.08613	34.4
108.05257	2.3
109.06532	2.6
109.10144	5.5
111.08091	9.2
113.09653	1.6
117.07042	8.9
119.08584	2.8
120.05639	2.2
121.06541	3.1
121.10149	20.3
125.09652	2.1
131.08600	12.9
133.10150	11.2
133.87773	1.3
135.08078	3.7
135.11710	23.2
139.11203	1.9
145.10156	2.5
147.11719	1.9
149.13272	64.9
159.11699	29.1
163.11191	5.3
177.12788	16.2
195.13835	23.3
195.15546	2.5
199.14803	1.3
213.14861	2.5
215.87566	1.5
227.10083	6.5
227.12785	8.8
227.17827	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.90679	1.0
53.03936	2.7
55.01858	3.4
55.05265	1.4
55.05513	20.6
57.03438	12.1
57.07067	3.3
65.03930	2.5
67.05505	72.5
69.03435	7.9
69.07071	20.9
71.04991	8.9
71.57841	1.4
73.75330	1.3
74.02255	1.1
79.05494	39.5
81.03424	1.8
81.07056	100.0
83.04984	10.4
83.08617	19.3
85.02858	1.8
85.06545	7.9
86.57053	1.3
86.60658	1.2
88.72474	1.1
91.05484	24.0
93.07045	66.2
95.04954	4.7
95.08610	25.9
97.06535	16.2
97.10172	3.3
99.08099	4.6
100.11256	6.1
105.04509	1.8
105.07024	9.8
107.04935	2.1
107.08594	35.3
109.06528	4.4
109.10174	4.7
111.08089	9.7
113.06033	1.5
113.09651	1.2
117.07033	12.5
119.08565	3.8
121.06526	2.4
121.10152	21.3
123.11693	2.8
125.09619	1.4
127.07555	1.4
129.06973	3.7
130.07834	1.2
131.08563	16.3
133.10129	14.1
135.08063	3.3
135.11694	19.4
139.11143	1.1
143.08566	3.5
144.04518	1.0
145.10141	4.8
147.11668	2.5
149.09618	1.8
149.13257	60.9
151.11153	1.7
153.12701	1.6
157.10124	4.6
159.11690	31.4
163.11182	3.6
167.14336	2.0
171.11676	4.0
177.12759	13.7
181.12262	1.4
183.08403	1.5
183.11642	1.1
185.13271	4.2
195.13826	26.9
198.17757	1.2
209.16695	1.6
213.14928	1.2
227.10495	2.1
227.12785	4.4
227.17947	21.8
227.89774	1.1
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	Unknow
Peak:m/z	Relative Intensity
50.84816	1.5
53.03942	2.3
54.20447	1.3
55.01874	3.6
55.05515	15.7
56.65754	1.4
57.03441	14.1
57.07074	2.8
58.92475	1.7
65.03941	1.6
65.40440	1.6
67.05509	75.7
68.34299	1.4
69.07074	23.1
70.14452	4.7
70.14880	3.3
71.05003	8.4
71.66312	1.4
79.05497	40.6
79.43569	1.4
81.03419	1.9
81.07061	100.0
83.04983	8.9
83.08619	15.6
85.02907	2.1
85.06568	7.9
85.17294	1.4
91.05484	18.7
93.07048	71.1
95.04972	6.3
95.08600	25.6
97.06530	16.1
97.10169	1.8
98.20826	2.1
99.08104	3.6
100.11293	3.1
101.06018	1.6
105.07048	8.8
107.08595	34.1
109.06540	2.3
109.10137	4.5
111.08103	10.6
117.07037	10.9
119.08566	2.2
121.06508	2.7
121.10140	22.2
123.11765	2.7
131.08586	12.6
131.64960	1.3
133.10158	14.3
135.08040	2.4
135.11710	19.6
149.09633	1.8
149.13268	66.2
151.11165	2.6
152.71080	1.7
159.11696	33.1
177.12782	15.8
183.27359	1.4
195.13824	21.9
213.14975	2.8
217.70879	1.6
227.12787	2.2
227.17979	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.56296	0.9
53.03940	2.0
55.01863	2.8
55.05267	1.4
55.05510	16.3
57.03195	0.9
57.03446	11.9
57.07064	2.9
60.15573	1.2
65.03948	2.1
67.05506	78.0
69.04045	0.8
69.06728	1.5
69.07071	23.9
69.63179	0.9
70.26170	2.2
70.26547	3.6
70.86568	0.9
71.04983	5.4
79.05495	40.2
81.03404	3.2
81.07059	100.0
83.04995	7.6
83.08622	15.3
85.02888	1.3
85.06578	4.7
91.05483	18.1
93.07049	69.3
95.04982	5.8
95.08614	29.1
97.06544	13.8
97.10156	2.1
98.21417	1.6
99.04468	1.3
99.08121	5.3
100.11223	1.7
105.07037	7.6
106.55257	1.2
107.07873	2.2
107.08598	34.6
109.06526	2.6
109.10192	2.5
111.08089	10.8
113.05986	1.5
115.05374	1.0
117.07018	14.4
119.08537	1.9
121.06489	2.0
121.10150	22.0
123.11684	2.8
131.08571	15.7
133.10136	17.1
135.08049	2.5
135.11699	21.2
138.78528	1.0
139.11180	2.4
143.08549	1.2
147.11668	2.0
149.13261	66.8
157.10078	1.4
159.11705	32.1
167.14253	2.0
168.67470	1.0
177.12761	16.4
181.89557	0.9
185.13319	1.1
192.20288	0.9
195.13812	25.6
213.14850	2.9
227.12608	1.1
227.18047	3.3
239.43045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Methyl dihydrojasmonate
Peak:m/z	Relative Intensity
55.01871	10.9
55.05514	49.7
57.03436	1.4
57.07082	1.6
59.04987	2.4
59.16500	0.9
60.58464	1.1
64.77755	1.3
67.05183	1.6
67.05510	23.0
69.03412	4.8
69.07068	10.0
71.01341	2.5
71.04996	44.1
79.05070	1.2
79.05499	18.5
81.03410	2.3
81.06598	1.0
81.07063	26.3
83.04970	4.8
83.08617	27.6
85.06541	5.1
87.04488	6.1
91.05489	7.5
93.07043	19.2
95.04976	1.7
95.08620	10.0
97.06536	78.7
97.10175	39.6
100.11250	3.1
101.05991	1.6
105.07012	3.4
107.04956	2.1
107.08601	18.5
109.06527	2.0
109.10150	11.9
111.08079	4.2
115.07574	1.6
115.11222	0.9
115.84378	1.1
117.07011	4.4
119.08560	2.1
121.06483	2.1
121.10126	4.6
123.11666	1.1
125.06106	1.3
125.09639	30.0
128.14157	1.0
131.08543	4.0
133.10092	4.9
135.08044	6.8
135.11723	9.6
147.11661	1.4
149.09601	1.4
149.13283	6.4
153.09087	2.4
153.12704	1.1
157.10182	1.6
157.12233	1.2
159.11678	6.7
163.11145	1.9
171.11577	1.2
175.72296	1.1
177.12732	8.0
181.17728	1.7
189.11205	1.9
191.10660	1.2
191.17897	1.0
195.13828	35.7
203.12799	2.2
227.13054	11.0
227.16399	100.0
227.18196	6.1
228.16837	1.4
228.23157	1.3
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	MKN-003C
Peak:m/z	Relative Intensity
53.03943	2.5
55.01869	6.1
55.05515	26.2
56.96560	5.0
57.03436	14.3
57.07064	4.4
64.33836	1.8
65.03934	2.5
67.05510	73.4
69.03436	3.0
69.06724	2.3
69.07072	26.6
71.01347	1.5
71.05009	8.4
71.57025	2.4
71.57400	1.7
73.02917	2.2
77.24663	1.6
79.05497	42.4
81.03428	4.8
81.07063	100.0
83.04988	13.9
83.08624	19.9
85.02908	2.6
85.06538	6.8
91.05481	20.5
93.07047	74.5
95.04981	8.8
95.08614	29.5
95.09180	3.4
97.06532	17.2
97.10169	5.0
99.04431	2.9
99.08096	5.9
100.11269	22.4
105.04507	1.8
105.07053	9.8
107.04945	5.1
107.08602	39.0
109.06518	3.8
109.10145	8.1
111.08083	8.8
111.11766	2.0
117.07050	12.1
119.08600	4.9
121.06519	4.7
121.10154	28.6
123.08095	2.6
123.11740	1.8
125.09643	4.3
127.07506	2.2
129.06984	2.5
131.08578	11.7
133.10136	15.9
135.08095	2.5
135.11703	26.6
137.05942	2.5
137.09573	2.4
139.11215	2.3
145.10162	3.7
147.11687	1.9
149.09659	3.2
149.13261	67.3
155.07019	1.6
157.10095	3.6
159.11707	26.8
163.11169	11.1
163.14803	1.9
167.07062	3.3
173.13240	2.1
177.12752	14.2
181.12198	4.0
189.11221	2.1
191.10735	2.4
195.13805	20.9
209.11758	3.6
209.16637	2.4
211.91510	2.1
227.06981	2.4
227.10690	2.5
227.12584	16.3
227.14539	2.3
227.18044	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03943	1.0
55.01878	0.8
55.05514	4.6
56.02650	0.7
56.04995	0.4
56.96567	0.8
57.03453	0.6
57.07083	0.7
59.04996	0.4
65.03957	0.9
67.05508	20.9
69.03432	0.4
69.07069	3.8
69.99164	1.5
71.04996	100.0
79.05495	9.0
81.03422	0.5
81.07060	26.9
83.04999	1.5
83.08614	2.9
85.02927	0.4
85.06553	2.4
91.05486	5.3
93.07046	13.1
95.04974	1.6
95.08611	15.1
97.06535	3.9
97.10175	1.4
98.21556	0.4
99.08112	0.8
100.11266	2.5
101.06040	0.4
103.15876	0.3
105.07041	2.0
107.08602	6.4
109.06512	1.3
109.09547	0.3
109.10181	2.0
111.04465	0.3
111.08088	2.5
113.06042	0.6
117.07037	3.6
119.08618	0.8
121.06528	1.3
121.10140	2.2
123.08096	0.6
125.09652	1.8
127.07578	0.5
129.07037	0.5
131.08591	4.3
133.10135	5.1
135.08087	1.3
135.11696	11.8
138.42577	0.4
143.08551	0.4
145.10146	0.7
147.11800	0.4
149.09688	0.4
149.13264	7.0
151.11214	0.4
153.09102	0.4
157.10144	0.4
159.11703	8.6
163.11223	0.9
171.11678	0.8
177.12761	4.3
181.12373	0.5
189.11238	0.8
191.10687	0.4
191.14355	0.4
193.15991	0.4
195.13896	2.5
209.11852	0.4
209.15273	2.1
227.10687	0.4
227.12718	3.3
227.16223	0.8
227.18008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	2.2
55.01869	3.5
55.05515	21.3
56.96565	2.2
57.03446	9.7
57.07069	3.6
65.03935	2.8
67.05508	78.0
69.06727	1.7
69.07072	23.5
70.21204	3.6
71.01330	1.3
71.05000	10.8
73.02930	1.5
79.05494	34.4
81.03408	3.4
81.07059	100.0
83.04974	8.8
83.08145	1.7
83.08622	21.1
85.02890	1.5
85.06551	7.6
91.05489	20.4
93.07048	64.5
95.04435	1.0
95.04976	5.7
95.08612	29.6
97.06530	16.7
97.10147	4.9
98.20830	1.6
99.08099	3.8
99.60979	1.1
100.11275	7.3
101.15650	1.2
105.07033	8.9
107.04945	2.2
107.08597	36.0
109.06510	3.9
109.10156	5.2
111.04464	1.2
111.08078	9.2
113.06030	1.8
117.07020	14.1
119.08584	3.2
121.06522	3.4
121.10158	18.7
123.08061	1.9
123.11706	3.8
125.09632	4.4
127.07563	1.6
131.08568	14.4
133.10155	16.3
135.08046	3.7
135.11699	29.2
145.10117	3.8
147.11685	1.6
149.09637	1.5
149.13268	51.5
151.11188	2.3
153.09094	1.2
153.12784	1.6
157.10127	1.8
159.11691	27.4
159.38397	1.0
163.11176	7.0
167.14256	1.7
171.11528	1.2
177.12770	13.8
183.08629	1.1
185.62099	1.2
191.10707	1.3
195.12193	2.1
195.13835	22.0
209.11784	2.5
213.14796	2.3
227.12691	10.8
227.17726	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	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03942	2.3
55.01881	5.2
55.05512	15.5
56.96549	3.6
57.03426	2.9
57.07085	1.1
60.95852	0.9
65.03939	2.0
67.05178	1.4
67.05508	17.8
69.03417	1.6
69.07079	8.2
70.40460	2.5
71.04980	3.2
72.26208	0.8
73.02917	2.6
79.05494	25.1
81.03405	3.2
81.07059	21.9
83.01283	1.0
83.04989	5.1
83.08618	10.8
85.06532	1.1
91.05486	8.5
93.07048	34.2
95.04983	6.5
95.08610	37.4
97.02877	3.4
97.06536	4.6
97.10172	2.8
99.04446	4.7
100.11265	5.0
100.65786	0.7
104.91974	0.8
105.07041	6.8
107.04974	10.1
107.08598	27.3
109.06519	2.8
109.10138	3.9
111.04449	2.0
111.08061	1.9
113.06013	1.0
117.07024	8.2
119.08607	8.0
121.02840	0.9
121.06527	5.8
121.09350	0.7
121.10158	11.1
123.08074	1.3
125.05995	3.8
125.09611	1.7
129.07019	1.0
130.07788	1.7
131.08574	0.8
133.10124	2.6
135.08072	2.1
135.11702	48.3
139.07541	1.9
143.08553	1.3
145.10132	26.0
149.09608	1.3
149.13292	1.8
153.12729	2.7
155.08521	1.2
159.11707	0.9
163.11189	67.3
167.03465	1.4
167.06961	1.3
171.11659	1.1
173.09674	1.9
174.08031	1.3
177.08447	0.9
181.12262	16.7
186.08972	1.0
191.14310	1.1
209.11713	3.7
227.12784	100.0
227.17656	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	227.1279
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03942	2.5
54.10523	1.2
55.01873	11.3
55.05303	1.4
55.05518	17.0
56.96574	3.1
57.03440	3.6
57.07079	2.7
59.05002	2.2
65.03961	1.5
66.64536	1.2
67.05511	21.3
68.99795	9.5
69.03422	5.2
69.07079	8.0
70.60043	1.2
71.00977	2.4
71.04989	3.9
71.08666	1.7
75.14473	1.1
79.05495	15.3
81.03405	2.4
81.07056	23.3
83.04980	23.9
83.05458	1.8
83.08624	36.1
85.02914	1.9
85.06544	3.4
85.10191	4.8
90.50983	1.2
91.05482	23.7
92.24446	1.1
93.07055	22.8
95.04971	28.7
95.08601	6.9
96.14269	1.2
97.06515	5.9
97.10159	1.7
98.97592	3.7
99.04439	3.5
99.08115	1.5
100.11253	6.2
101.02362	7.6
105.07069	3.3
107.04966	3.6
107.08601	47.6
109.06527	24.7
109.10159	14.2
111.04449	41.4
111.08087	100.0
117.07018	2.1
119.03413	2.8
119.04901	1.5
119.08569	4.2
121.06522	2.3
121.10143	9.7
123.04465	1.3
125.05982	1.6
125.09631	15.8
127.07581	2.9
129.07014	2.1
131.08578	4.2
133.10176	1.8
135.08073	14.9
135.11697	14.5
137.05994	10.2
141.09088	1.5
145.10132	9.0
147.11716	2.2
149.09631	9.5
151.07555	4.9
153.09114	53.1
153.12741	21.3
155.07008	7.0
162.52370	1.3
163.11200	20.9
167.07024	6.5
167.10716	4.6
169.08609	76.1
173.09673	4.8
177.05576	1.1
177.09164	3.5
181.05040	2.0
181.12228	20.8
181.13705	1.7
185.11748	21.6
191.10678	15.8
195.10179	61.0
209.11684	11.2
215.06474	1.3
227.07060	1.8
227.10643	1.5
227.12738	22.2
227.17775	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	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03943	1.5
55.01873	5.2
55.05516	10.5
57.03421	2.0
60.44605	0.6
67.05511	12.9
69.03424	2.0
69.07066	6.6
70.82323	1.7
71.04987	2.7
73.02919	1.2
79.05496	20.1
81.03405	2.6
81.07062	16.9
83.04989	3.9
83.08620	8.2
91.05470	5.9
93.06477	1.5
93.07051	28.5
95.04989	4.9
95.08614	34.4
95.09226	1.9
97.02897	4.2
97.06535	2.7
97.10107	1.0
99.04459	3.9
105.07039	5.2
107.04965	7.5
107.07872	1.2
107.08596	24.8
109.06501	1.6
109.10140	2.1
111.04443	2.0
111.08071	1.4
112.77567	0.7
113.05989	0.8
117.07034	6.5
119.08586	7.8
121.06515	5.0
121.10169	10.3
125.05994	2.7
129.07054	0.8
130.07802	1.4
131.08533	0.7
133.10124	2.2
135.08044	1.3
135.11697	43.8
139.07533	1.9
141.82693	0.7
145.10130	26.1
153.12764	2.0
155.08488	1.0
163.11195	64.9
181.12238	18.3
192.07962	0.8
209.11671	5.2
227.12787	100.0
228.13039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03949	2.5
55.01861	4.6
55.05307	1.1
55.05512	12.2
57.03421	1.5
67.05510	14.3
69.03416	1.7
69.07053	5.1
69.80700	2.2
69.81102	4.6
71.04991	2.4
73.02914	2.0
79.05501	21.9
81.03416	2.6
81.07063	14.8
81.18132	1.0
83.04968	4.0
83.08620	8.8
91.05486	6.0
93.06471	2.1
93.07043	30.3
95.04955	6.1
95.08611	35.1
97.02882	3.1
97.06519	2.0
99.04446	4.1
103.05505	1.8
105.07059	5.4
107.04968	9.3
107.08598	24.0
109.06490	2.3
109.10174	2.1
111.04429	2.5
117.07034	8.1
119.08611	8.1
121.06533	6.6
121.10151	12.4
125.05998	2.5
130.07814	1.6
133.10158	2.6
135.08028	1.2
135.11700	44.0
139.07507	1.7
145.10127	26.0
163.11195	62.1
180.36446	1.2
181.12233	13.9
194.72653	1.2
209.11765	1.7
227.12793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03951	5.9
55.01872	25.3
55.05515	32.9
56.96555	7.6
57.03416	8.4
57.07067	3.6
59.04998	3.6
67.05176	3.1
67.05504	49.7
69.03424	5.9
69.07076	20.9
69.36044	18.8
71.04985	10.3
73.02908	3.3
77.86076	3.0
79.05506	41.7
81.03425	15.2
81.07059	46.5
83.04986	43.8
83.08614	22.0
85.02914	2.8
85.06528	9.1
91.01892	2.8
91.05486	28.2
93.07047	66.7
93.12688	2.7
95.04977	14.7
95.08609	37.6
97.02885	8.2
97.06540	18.8
97.10163	6.6
98.97585	10.2
99.04454	8.6
100.11257	24.5
105.07041	14.5
107.04949	20.3
107.08597	45.3
109.06498	10.8
109.10153	17.9
111.04450	53.2
111.08085	24.5
116.98669	3.1
117.07017	14.4
119.08598	18.9
121.06509	11.6
121.10153	39.2
123.04415	4.6
123.08031	5.1
123.11715	4.7
125.05987	4.4
125.09629	7.5
129.07004	3.4
130.07785	3.0
131.05052	2.8
131.08556	12.1
133.10112	9.9
135.08034	8.5
135.11699	55.3
137.06017	4.0
137.09592	6.6
139.07512	3.3
143.08609	3.0
143.83572	2.5
145.10129	35.3
147.11653	2.8
149.05951	4.7
149.09607	12.2
149.13203	2.3
151.11160	3.8
153.09111	7.5
153.12772	41.8
155.06975	2.5
155.08604	3.9
158.99643	2.9
163.11191	81.7
167.07048	27.1
169.08504	5.0
173.09674	14.7
177.05510	5.0
181.12231	43.7
186.07198	3.3
191.10681	32.6
191.14272	3.6
195.10165	6.8
209.11726	43.5
209.16776	2.7
213.17871	2.9
227.12775	100.0
227.17891	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	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03942	2.0
54.52404	0.9
55.01883	5.8
55.05518	14.3
56.96563	1.6
57.03431	3.2
57.07070	1.6
60.95769	0.8
65.03951	0.9
67.05509	17.2
69.03416	2.5
69.06790	0.9
69.07076	10.4
71.04998	4.1
71.08360	2.0
73.02924	0.9
79.05060	1.7
79.05495	24.8
81.03415	3.5
81.06581	1.4
81.07059	22.3
83.04979	6.2
83.08617	12.6
85.02911	1.1
85.06554	1.6
88.55485	0.9
91.05483	9.7
93.07047	42.5
95.04990	9.6
95.08612	44.8
97.02890	4.7
97.06525	5.4
97.10170	1.2
98.97593	2.4
99.04485	5.2
100.11290	5.8
101.02335	1.0
103.05457	1.0
105.07027	7.2
107.04967	10.4
107.08598	30.1
109.06510	4.9
109.10148	3.8
111.04422	2.3
111.08086	7.9
113.05985	1.9
116.93716	0.8
116.98672	0.9
117.07025	7.7
119.08598	10.4
121.06512	7.3
121.10150	14.6
123.08095	1.7
125.05993	3.2
125.09609	1.7
130.07814	2.1
131.08559	2.1
133.10133	3.6
135.08064	2.8
135.11702	50.3
137.05954	1.1
139.07555	2.7
139.11154	1.1
145.06499	1.1
145.10138	24.0
149.09616	1.9
153.09106	3.9
153.12703	1.2
163.11194	67.3
167.07040	2.9
169.08606	6.2
173.09642	2.7
181.12238	16.1
183.11700	0.9
185.11768	1.9
191.10701	1.8
193.59641	1.0
195.10208	4.2
209.11711	4.2
227.12788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03938	1.3
54.61250	0.7
55.01876	6.2
55.05510	1.6
57.03434	0.8
65.03947	6.2
67.05525	3.8
69.03443	2.0
69.07068	1.4
70.80272	1.7
73.02924	43.4
79.05498	1.7
80.39369	0.8
82.04191	2.3
83.08577	1.3
83.57461	0.8
85.02898	4.8
91.05479	3.2
93.03405	3.0
93.07041	2.7
95.04964	7.0
95.08626	0.8
97.06544	2.1
98.97594	1.6
100.11267	2.1
103.05472	1.4
107.08612	1.0
108.02126	1.1
109.06586	1.2
110.03692	3.8
111.04429	1.4
121.06505	1.5
123.00812	1.1
123.04444	9.2
125.02334	2.0
125.05987	2.6
130.81516	0.8
138.03128	1.8
140.04692	47.9
142.02591	3.1
147.04390	1.0
149.05826	1.2
153.05547	4.0
155.07039	69.2
163.07651	0.8
167.07040	7.5
171.06526	5.2
173.08064	2.3
177.05460	1.2
179.07031	3.3
181.04970	100.0
181.08504	3.0
182.39052	0.9
195.06506	0.9
206.05946	1.1
206.92995	0.8
209.08104	22.2
210.11237	1.2
215.06570	3.4
215.56779	0.9
227.09169	26.5
227.17863	0.9
240.04921	1.3
240.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01859	9.1
55.05513	18.4
56.05022	7.2
56.96564	42.8
57.03424	12.0
57.07063	5.1
59.04979	5.1
60.04514	8.8
61.02927	7.0
67.05511	12.1
68.05025	5.5
69.03429	16.3
69.07070	51.3
69.77032	15.1
69.77337	2.4
70.06593	70.3
70.98139	7.2
71.04990	8.1
72.08145	5.2
72.93777	4.3
73.02920	12.7
73.06552	8.0
73.42056	2.2
75.04478	2.8
79.05486	13.7
80.05006	2.6
81.03408	9.0
81.07062	17.8
83.04980	7.1
83.08617	9.5
84.01680	2.2
84.04502	81.3
84.08144	14.0
84.96032	5.3
85.02902	18.9
85.06535	5.2
86.09702	7.6
87.08114	3.4
88.99152	3.1
89.00762	2.8
91.00472	3.5
91.05477	11.7
93.07063	15.4
95.04953	5.7
95.08588	11.2
97.02906	16.1
97.06542	9.3
97.10168	6.7
98.01318	4.1
98.06072	2.5
98.97581	61.9
99.04465	6.5
99.08073	3.1
100.11227	10.5
101.00755	2.9
103.03919	5.2
103.05489	4.7
105.07033	6.0
106.06552	2.4
107.04955	6.5
107.08588	14.3
109.06526	7.8
109.10168	4.5
110.01304	5.6
110.07157	9.4
110.97562	6.8
111.04480	4.0
111.05543	2.8
111.08152	3.5
113.02389	3.7
113.96417	6.0
116.07089	100.0
116.98604	21.6
117.07046	4.0
118.01002	2.9
119.01830	17.0
119.08575	5.1
120.08100	6.4
121.01649	4.7
121.06481	8.6
121.10142	7.7
123.04465	4.7
123.08073	4.9
124.02843	2.8
125.05974	3.1
125.09600	3.1
127.03908	4.0
128.02330	18.5
128.98627	9.6
129.10210	4.1
131.01851	3.4
131.08588	4.7
133.10144	3.7
134.99663	7.2
135.08035	3.9
135.11696	4.5
136.07553	3.2
137.02853	5.7
137.05942	11.3
139.03767	3.7
143.00156	8.2
145.03528	2.6
145.10161	4.3
146.99614	14.8
147.03259	7.1
147.04375	5.8
149.05940	6.1
149.09587	5.9
149.13284	5.5
150.15063	2.3
151.04024	2.7
152.02260	2.6
153.04903	7.4
153.09106	3.0
154.02039	3.9
155.04646	37.6
155.07027	4.5
155.54797	3.6
158.94653	2.4
158.99664	30.0
161.01340	4.6
161.02802	6.7
161.04732	2.6
161.06410	2.6
162.05463	56.9
163.07614	2.9
163.11185	8.4
164.05177	15.5
165.00737	4.6
165.04340	5.8
166.55405	2.9
167.04662	3.6
167.07039	24.5
171.05980	5.7
173.13219	2.8
175.02657	5.4
177.00725	23.5
177.05508	8.6
178.62343	2.5
181.04936	3.6
181.06319	2.8
181.09712	14.6
181.12126	3.5
183.01823	2.7
184.03105	3.2
185.02930	5.2
186.99185	3.0
189.00742	4.2
189.04424	2.9
191.10680	3.7
194.13567	2.8
197.05626	3.7
199.11317	2.8
203.05580	2.8
205.00119	5.5
209.09254	9.6
209.11696	5.5
210.13264	3.8
219.01836	6.0
223.01282	5.2
226.64467	2.7
227.06937	26.3
227.10341	41.5
227.15356	8.4
237.02837	7.3
247.01114	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	225.1487
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
53.03942	3.4
55.01868	3.5
55.05513	23.5
57.03445	5.0
59.04998	1.6
67.05507	17.6
69.03444	5.8
69.07068	6.3
70.81031	1.0
70.81364	1.8
71.04991	2.7
75.85184	0.8
79.05495	21.1
81.03420	100.0
81.07056	24.0
83.04980	27.9
83.08144	1.9
83.08624	32.4
84.46857	0.8
85.02912	1.1
85.06534	3.0
91.05487	22.2
93.07050	13.5
95.04971	34.9
95.08614	7.8
97.02900	3.0
97.06530	5.3
97.10177	5.0
99.04428	1.4
99.08110	1.2
101.95013	1.0
105.07047	16.1
107.04973	7.6
107.08595	6.1
109.06535	3.6
109.10143	2.3
111.04427	2.4
111.08081	13.9
115.05486	1.0
117.06992	2.3
119.04909	1.1
119.08589	15.1
121.06491	1.1
121.10139	8.8
123.08066	3.0
123.11717	1.1
125.06004	3.6
125.09654	2.4
129.07013	9.5
131.08569	8.3
133.06529	2.5
133.10146	9.0
137.09593	2.5
142.07780	2.2
145.10120	1.1
147.08076	2.8
147.11702	12.3
149.09639	7.1
151.07599	1.3
157.10149	15.9
159.25642	0.8
163.11174	6.7
165.12741	2.5
175.11206	18.3
179.14294	1.1
181.12228	2.0
193.12253	67.1
206.32025	0.9
207.13795	2.9
225.14864	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	227.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.2
55.05501	2.7
56.96561	4.4
57.03441	17.9
58.99860	4.6
61.02930	100.0
63.92585	1.3
67.05508	1.9
68.98296	2.2
69.03442	8.8
70.06578	2.4
70.18773	1.4
70.99851	5.8
71.03858	3.6
71.04980	2.0
73.01404	1.8
73.02919	7.5
74.06181	1.4
77.58167	1.4
81.03410	5.9
81.07078	2.4
82.01446	2.5
82.99841	2.3
85.01427	2.6
85.02908	15.0
86.99342	3.0
87.00841	3.5
89.00894	3.2
91.02457	5.6
93.07005	1.8
95.01384	1.7
97.01413	2.9
97.02889	19.9
98.97582	3.1
99.04465	4.8
100.02489	5.6
101.00892	27.9
102.01027	1.5
102.02379	3.0
102.94956	1.7
103.00578	1.7
103.02451	3.3
105.00352	2.2
109.01378	2.5
109.02822	7.6
110.01349	1.7
110.02134	2.4
110.07174	7.5
111.02906	3.7
113.00891	6.1
113.02386	4.0
115.02449	9.3
116.07052	2.4
117.01897	2.3
117.28098	1.6
118.03506	2.4
119.01929	49.0
119.02670	2.1
120.02015	2.7
121.01659	6.5
121.03404	1.9
124.01884	2.7
126.98769	10.8
127.02416	4.7
127.03892	8.7
128.02351	2.2
128.98607	1.9
129.00314	2.4
129.02963	1.6
129.03990	2.9
129.63780	1.5
130.01865	1.9
130.04048	1.7
131.01897	9.4
133.02425	8.9
133.03479	28.0
133.04396	2.5
137.00862	4.2
137.02948	10.0
137.05998	2.0
139.02388	8.0
139.04214	8.7
139.13652	1.6
142.02882	15.0
143.01883	10.1
144.01707	1.5
144.03230	3.2
144.99831	30.1
145.02385	3.4
145.03447	15.9
146.01350	2.9
146.03265	1.7
146.99637	1.9
147.01382	4.6
147.03065	3.2
147.05038	2.2
148.02968	9.7
148.04729	19.6
149.02951	6.9
151.04523	5.2
153.02135	3.9
154.98268	2.3
155.01912	4.6
156.07672	3.1
157.03474	13.9
158.01419	3.2
159.01405	8.6
159.05096	3.7
159.55611	2.2
161.02910	9.7
162.02931	3.5
163.00955	1.9
163.02690	2.5
163.04506	2.5
163.11143	1.7
167.01920	21.3
168.01407	2.5
168.99815	4.2
169.03490	5.8
171.01358	9.1
171.05043	2.4
172.99318	16.5
173.02963	9.4
174.02748	4.4
175.02557	1.9
175.04626	3.3
176.02397	8.1
177.02446	16.0
178.52777	2.2
181.03630	5.0
183.03224	4.4
185.02975	37.6
185.04594	3.4
186.03017	2.0
187.00887	12.5
187.04585	8.8
188.02484	9.3
189.00824	2.0
189.02446	9.8
189.06041	2.0
189.97356	1.8
191.00383	5.6
191.02243	2.0
191.04044	7.0
195.03296	2.1
196.00911	8.9
196.99232	2.0
197.02966	9.6
199.00861	4.0
199.04564	4.2
201.02452	5.2
201.04185	1.8
203.04045	15.4
204.04214	2.5
205.01956	16.4
206.02516	2.4
209.02959	2.4
212.98825	4.7
214.01959	2.9
215.00316	7.5
215.03804	5.0
217.01973	6.4
218.03477	3.2
219.03621	7.8
221.05048	2.4
223.02942	4.3
223.04942	2.1
224.28207	1.5
227.00398	6.2
227.03947	18.3
227.05840	2.7
228.03676	4.0
229.01956	5.0
230.99828	3.9
231.03529	1.8
237.02820	2.0
245.01479	7.4
245.05112	11.2
247.02965	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	Apiosporic acid
Peak:m/z	Relative Intensity
51.02379	3.2
53.03939	9.7
55.01868	3.3
55.05509	26.2
56.96542	2.5
57.03428	4.4
65.03934	3.0
67.05184	2.8
67.05508	48.5
69.03408	3.7
69.07064	13.5
70.08002	11.1
79.05497	81.1
81.03414	16.5
81.07058	38.2
83.04985	37.5
83.08605	9.4
91.05483	56.8
93.07044	100.0
94.14050	2.5
95.04967	23.9
95.08606	17.3
97.06529	5.7
101.95023	9.0
105.04567	2.9
105.07034	40.7
107.08607	16.4
109.06522	7.6
109.10202	3.6
117.07005	7.9
119.08568	23.7
121.06531	2.8
121.10130	5.8
123.08073	8.2
124.98504	2.6
129.07016	13.3
133.10129	10.0
143.08525	7.0
145.10078	10.2
147.08081	3.1
147.11685	58.3
149.09639	3.2
161.09557	4.0
161.13258	15.4
171.11703	25.9
175.11194	3.2
183.61395	3.6
184.09352	3.8
189.12694	7.2
193.09781	3.4
193.12238	9.7
207.13843	11.7
225.14893	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.02687	1.7
53.03968	2.1
55.01883	3.0
55.05522	9.8
56.96545	2.3
57.03453	2.0
57.07064	6.6
59.04997	6.0
61.02928	9.0
67.05511	14.5
69.03431	11.3
69.06778	1.6
69.07074	16.7
71.04996	15.5
71.56923	1.7
73.06539	1.8
79.05502	16.7
81.03417	7.4
81.07067	34.8
83.04973	10.2
83.08621	5.7
85.02910	100.0
85.06519	3.0
87.04443	2.0
91.05041	1.7
91.05493	17.4
93.07058	23.5
95.04958	8.4
95.08614	23.5
97.02883	3.1
97.06538	9.5
98.97593	4.0
99.04462	11.8
99.08088	2.2
101.79842	1.7
101.95020	5.7
105.03385	2.8
105.07034	23.9
107.04950	6.0
107.08595	23.5
109.02888	2.8
109.06508	19.0
109.10174	21.3
111.08089	7.6
113.06037	2.1
115.07574	7.0
119.04938	2.3
119.08590	23.2
120.50042	1.8
121.06490	6.6
121.10153	20.9
123.04420	3.0
123.08092	18.3
123.11720	82.5
125.05970	7.5
125.09627	3.5
129.06958	2.1
131.08612	4.1
133.06470	4.1
133.10144	13.9
135.08032	4.8
135.11670	6.3
137.05965	3.0
137.09628	20.7
139.07553	2.1
139.11200	5.1
141.09082	2.0
145.10150	4.9
147.04387	7.6
147.08067	5.8
147.11734	22.2
149.09627	26.4
151.07561	9.2
151.11174	17.9
153.09088	2.3
156.09357	3.2
159.08096	1.9
159.11722	3.8
159.41092	1.7
161.09645	5.4
161.13258	16.1
163.11195	5.5
165.09174	2.6
165.12778	8.7
167.10701	5.1
169.08553	2.8
171.11668	5.5
174.10414	6.4
175.03909	4.1
177.12704	3.2
179.14323	3.2
189.12738	24.0
193.12251	4.3
207.06487	2.5
207.13846	33.8
225.14853	27.3
240.49905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05503	3.7
57.03429	0.9
57.07071	3.7
59.05001	2.3
63.66435	1.0
67.05495	3.2
69.03436	1.4
69.07055	3.8
71.01339	1.3
71.04997	35.5
71.25961	1.1
72.20446	1.0
79.05507	5.4
81.03423	1.9
81.07061	8.6
83.04970	3.4
83.08626	6.9
85.02919	2.2
85.06512	1.7
88.56121	1.0
91.05479	4.7
93.07040	2.6
95.04954	2.4
95.08613	8.6
97.06535	13.3
99.04461	100.0
99.08072	1.4
101.95020	1.6
102.79132	1.0
105.07041	6.2
107.05009	1.0
107.08604	38.3
109.06522	25.1
109.10185	1.5
111.08081	1.9
111.11712	1.9
113.09638	5.4
119.08582	4.5
121.06481	2.0
121.10147	13.2
123.07212	1.2
123.08087	19.1
123.11704	16.9
125.09637	9.4
133.10184	1.9
137.09621	1.3
137.13264	2.2
139.11160	4.0
141.09071	1.2
141.12775	1.9
147.04358	1.0
147.11731	8.9
149.09650	11.8
151.07515	2.1
161.13237	2.1
165.12762	16.3
167.10686	31.6
171.11638	1.3
175.03912	1.5
179.14340	2.5
183.13821	46.6
189.12726	3.2
207.13855	9.0
225.14879	26.2
243.84962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	11.1
55.01876	16.4
55.05515	41.8
55.28206	5.5
56.96568	30.8
57.03434	22.0
57.07064	21.2
59.04993	19.7
60.61878	4.3
61.02922	13.9
65.03967	8.4
67.05507	59.2
68.99783	12.5
69.03427	39.2
69.07068	33.2
69.99836	22.6
71.04997	36.1
71.08639	6.4
73.02902	11.4
79.05498	77.6
79.56086	4.6
81.03424	43.4
81.07060	67.2
83.04974	53.1
83.08617	17.8
84.08180	7.2
84.87424	4.7
84.96018	4.8
85.02912	36.9
85.06549	5.3
91.05488	85.1
93.07047	58.4
95.04964	54.0
95.08628	47.0
96.08136	6.5
97.02911	13.5
97.06557	28.1
98.97593	33.9
99.04478	29.4
101.00867	13.2
101.02317	8.4
101.95022	30.1
103.05433	8.7
105.03383	23.5
105.04499	6.1
105.07044	84.4
107.04975	26.1
107.08605	94.7
109.02842	5.0
109.06520	50.0
109.10151	34.7
110.09735	4.7
111.04452	13.3
111.08100	14.7
115.07572	4.6
116.98626	19.6
117.07067	11.7
119.01928	18.4
119.04920	19.3
119.08586	64.8
119.96064	13.3
121.06525	25.5
121.10159	40.1
123.04417	7.1
123.08080	100.0
123.11718	31.0
123.12600	4.2
125.05998	17.5
125.09624	15.5
127.03944	9.8
129.06990	9.1
131.08575	21.0
133.06509	11.6
133.07501	5.0
133.10133	32.1
135.08043	28.9
135.11714	51.8
137.09616	78.3
139.07520	7.3
141.09125	10.0
143.01880	10.0
145.10124	16.0
147.04404	48.4
147.08038	14.5
147.11707	52.3
149.09666	27.8
151.06386	6.0
151.07530	23.3
151.11154	15.6
153.09096	13.6
156.09354	5.3
157.10104	9.4
160.98755	12.8
161.01259	8.6
161.02963	14.5
161.09619	15.0
161.13245	41.6
163.11209	28.1
165.05466	12.4
165.09135	17.5
165.12764	20.5
167.07065	7.8
167.10669	18.2
169.06267	10.7
171.11693	18.3
175.03896	32.4
175.11116	10.3
177.12682	11.2
179.14264	5.7
181.12212	7.0
183.13814	7.6
188.82439	4.8
189.09082	4.9
189.12711	35.3
193.04971	16.9
193.12280	24.3
201.00690	8.6
207.06517	20.9
207.10307	9.2
207.13788	50.6
219.01805	5.5
225.07407	10.9
225.09290	7.3
225.11092	7.1
225.14832	51.8
225.20341	22.3
225.22617	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	225.1486
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
53.03942	2.9
55.01875	2.7
55.05513	25.0
56.96578	1.8
57.03443	5.8
65.03922	1.2
67.05506	21.6
69.03439	6.5
69.07074	6.0
70.04115	1.7
70.04504	2.0
71.04990	3.1
73.82981	0.9
76.82069	1.1
79.05496	19.9
81.03423	100.0
81.07059	23.6
83.04989	25.3
83.08624	34.0
85.02869	0.9
85.06552	2.4
91.05485	25.1
91.35019	0.9
93.07052	13.2
95.04972	30.3
95.08614	8.4
97.02888	2.8
97.06542	4.0
97.10188	4.7
98.20825	1.1
98.68863	0.9
99.08104	1.1
100.15455	1.0
101.95034	1.9
105.07033	18.0
107.04948	6.8
107.08604	6.3
109.06525	5.4
109.10158	2.0
111.04488	2.8
111.08075	14.3
111.54457	0.9
115.05457	2.1
117.07006	1.5
119.08596	13.4
119.09371	1.7
121.10152	5.6
123.08088	2.6
128.74008	1.1
129.07018	9.1
131.08571	11.1
133.06512	2.5
133.10130	9.3
137.09601	1.9
142.07802	1.8
144.62720	0.8
145.10146	1.0
147.08043	3.3
147.11707	12.0
149.09621	7.2
157.10127	14.3
157.55365	1.0
165.12804	2.4
166.05577	0.9
166.55771	1.1
175.11188	20.6
183.58699	1.4
193.12256	66.1
225.14890	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	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40746	1.0
53.03940	4.2
53.21104	0.8
55.01867	3.0
55.05513	26.9
57.03440	5.6
59.04989	1.1
65.03938	1.2
67.05509	16.5
69.03423	5.0
69.07059	6.5
70.13781	2.6
71.01295	0.9
71.04984	3.3
73.06542	0.9
79.05494	22.7
81.03419	100.0
81.07059	21.3
83.04982	24.9
83.08621	30.9
85.06538	2.0
91.05486	23.2
93.07046	12.2
95.04969	31.0
95.08607	7.1
97.02880	3.0
97.06519	2.9
97.10175	6.3
99.08091	1.0
105.07040	15.1
107.04951	7.2
107.08606	6.2
109.06522	4.8
109.10162	1.3
110.54910	0.9
111.04446	2.0
111.08082	15.8
115.05456	1.8
117.07022	1.1
119.08590	13.7
121.06483	1.2
121.10116	6.4
123.08063	1.1
129.07018	10.4
131.08562	11.7
133.06491	4.4
133.10135	9.3
137.09596	0.9
142.07820	2.0
145.10156	1.5
147.08032	3.8
147.11691	12.5
149.09612	4.6
157.10123	14.7
165.12755	3.0
175.11183	20.7
193.12247	70.8
207.13750	1.1
225.14857	5.7
229.24280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37706	2.7
72.96380	1.9
77.90810	1.5
82.99845	7.0
85.33434	1.9
87.47974	1.8
96.72579	2.0
101.00887	54.3
112.17085	1.7
119.01931	100.0
124.02454	10.6
137.02939	12.2
142.03520	69.6
148.50992	1.8
153.91029	1.7
158.99905	6.1
160.04564	8.7
161.02963	28.8
170.06522	1.7
176.20949	1.8
177.00989	18.5
179.04039	36.5
184.04523	4.1
190.49480	3.6
192.04622	1.7
199.50117	11.9
202.00352	2.7
202.05615	3.9
211.00821	4.1
217.04085	3.1
219.02020	17.7
238.95589	5.0
243.02100	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	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01873	3.6
56.96564	15.4
57.03424	8.9
61.02917	7.6
65.44300	2.0
69.03419	7.4
69.07041	1.8
69.63210	6.9
69.63644	5.9
70.06579	2.9
70.98119	5.9
71.04984	3.0
73.02928	12.1
78.38439	1.7
79.05513	2.1
81.03416	3.9
81.07057	3.0
82.99852	5.9
84.08146	4.0
84.96028	8.8
85.02908	12.0
86.09704	3.7
95.04972	3.1
95.06038	2.9
97.02891	7.0
98.97588	21.7
99.04458	2.9
101.00889	55.4
101.56130	2.1
102.00978	3.0
102.02271	3.6
105.03382	2.7
110.97559	2.3
113.00909	2.6
115.00625	2.6
115.02444	2.3
116.98621	8.7
119.01928	100.0
119.04905	2.1
120.03429	1.9
124.02462	7.5
127.03938	4.3
128.98593	4.1
129.10231	2.5
131.01944	4.0
133.01665	2.8
136.06200	2.2
137.02956	17.9
139.02449	2.5
142.03514	64.7
143.01932	6.3
144.01991	2.9
145.03499	3.0
145.05043	2.6
146.99576	4.8
147.04385	2.5
152.01335	2.7
155.01912	2.3
156.02028	2.3
157.01660	3.2
157.03458	2.6
160.04588	10.5
161.01756	3.7
161.02968	35.5
162.03064	4.5
165.05190	3.1
170.01123	3.8
173.02951	3.8
174.03062	3.5
177.00941	2.9
179.02448	2.8
179.04030	35.4
182.99672	8.8
183.55139	3.5
184.02898	2.2
184.04640	7.9
185.02997	4.6
192.55676	11.8
193.05525	8.9
196.53345	2.5
201.00705	8.8
201.02429	2.8
202.03876	8.0
202.05699	6.9
203.04015	3.2
211.52289	3.3
219.01901	2.6
225.02574	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03949	6.4
55.01878	4.9
55.05514	4.2
56.96569	8.6
57.03430	2.2
62.14067	0.7
62.83294	0.8
63.59843	0.8
65.03931	1.5
67.05508	27.0
69.03415	1.0
69.07053	3.1
69.80569	1.9
69.80955	1.3
71.04982	2.2
79.05119	0.7
79.05490	20.5
81.03420	100.0
81.07057	33.6
83.04977	2.7
83.08617	1.9
84.55698	0.7
84.95998	1.0
85.02881	1.1
85.06533	2.3
91.05479	19.8
93.07043	13.0
95.04971	45.9
95.08607	18.5
97.06534	3.9
98.21488	1.2
98.97591	2.9
103.05523	0.8
105.07026	8.9
107.04961	10.5
107.08578	6.9
109.06515	4.2
109.10140	1.4
111.04457	1.0
112.00716	0.7
113.02582	0.7
115.05443	0.9
116.06245	1.4
117.07026	11.9
119.08580	10.0
121.06495	3.1
121.10181	6.3
123.08080	10.6
129.07007	8.8
130.07820	2.0
131.00174	1.1
131.04976	1.8
131.08571	43.6
133.10199	1.2
135.08043	5.7
135.11687	5.3
141.58452	0.9
143.05441	1.7
143.08548	1.8
145.06461	3.2
145.10127	36.7
147.08064	19.2
147.11696	1.3
149.01225	1.6
149.02342	2.3
149.09645	6.4
152.05898	1.4
155.08569	5.9
158.99605	1.8
159.11671	1.4
161.09616	1.3
163.11183	22.8
163.12534	1.4
169.01649	1.0
170.05931	1.3
173.09633	28.5
177.00746	1.2
179.06448	1.1
179.10585	1.2
182.07790	1.4
187.11185	0.8
191.08176	1.0
191.10677	11.1
197.04898	0.8
203.10022	1.2
205.12251	5.7
209.01181	1.0
223.06075	1.6
223.13242	10.1
223.21684	3.3
225.04285	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03949	47.7
55.01875	9.3
55.05508	7.6
56.96556	1.4
65.03938	3.1
67.05506	61.4
67.37962	1.1
69.03414	1.9
69.05442	1.1
69.07057	3.9
70.39215	3.6
70.64934	1.2
70.89251	1.1
71.01344	1.3
71.04974	4.2
71.70671	1.0
79.05065	1.9
79.05496	31.3
81.03420	100.0
81.07059	64.5
83.04980	8.8
83.08602	3.6
85.06564	2.1
91.04964	2.0
91.05481	21.3
93.06477	1.9
93.07049	35.2
95.04968	24.4
95.08609	36.9
97.06525	4.2
98.97589	2.2
99.08092	1.7
103.05482	1.6
105.04493	1.7
105.07027	17.9
107.04960	26.2
107.08601	12.4
109.06507	7.3
109.10157	2.5
111.08103	1.7
113.05996	1.1
115.05435	1.3
117.07011	13.3
119.04946	1.7
119.08577	4.7
121.06498	11.3
121.10137	4.1
123.04422	3.1
123.08080	26.2
125.05908	1.2
128.06180	1.9
129.06999	3.1
130.07764	1.5
131.04948	3.0
131.08559	13.2
133.06470	2.6
133.10101	5.7
135.08028	2.9
135.11696	19.6
141.06978	8.0
143.08539	2.7
145.06494	19.4
145.10112	6.6
149.09608	2.0
149.13280	6.2
154.07770	1.5
158.07260	1.8
159.08069	3.0
159.11696	19.5
163.11186	2.3
169.10162	8.6
177.12747	8.3
187.11191	10.2
195.13934	1.4
205.12207	2.0
223.13298	7.9
223.21658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	1.8
55.01876	1.7
55.05510	11.4
55.40563	1.2
56.44907	1.2
56.96557	5.2
57.07065	5.1
63.27937	1.2
66.63809	1.2
67.05502	12.6
69.03417	1.3
69.07079	11.7
69.40290	5.1
69.40720	5.4
71.04999	23.4
71.18516	1.1
73.06551	2.0
79.05066	1.8
79.05499	24.9
81.07063	93.4
83.08615	5.9
85.06540	3.5
91.05486	13.4
93.07052	41.1
95.04951	1.5
95.08052	2.4
95.08618	32.9
95.22431	1.4
97.06542	2.7
97.10203	2.6
98.97594	3.5
99.08089	5.3
104.63875	1.4
105.07039	36.6
107.07865	2.7
107.08598	53.3
109.06539	3.3
109.10158	29.4
111.08067	1.7
111.11740	1.7
117.07033	2.2
119.08588	60.9
121.10151	10.9
123.08031	2.4
123.11719	17.0
127.11171	8.8
131.08546	2.1
131.35181	1.5
133.09154	1.0
133.10136	28.1
135.11700	100.0
137.09622	2.7
137.13271	2.6
139.11209	2.3
145.10123	2.2
147.11685	22.3
147.12798	2.2
149.13284	9.7
151.11221	3.4
161.09563	2.0
161.13261	14.7
163.14819	4.4
165.12749	2.7
175.02817	1.7
175.14815	5.3
177.12830	2.5
177.16382	2.7
203.17966	45.5
221.04483	6.0
221.11739	2.1
221.15421	4.8
221.18843	50.9
241.60156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00360	0.9
53.03986	2.0
55.05513	10.5
56.05063	0.7
56.96570	3.8
57.03469	1.3
57.07079	5.8
59.05034	1.4
61.90918	0.8
64.22111	0.7
65.03963	1.2
65.50174	0.9
66.59122	0.7
67.05509	15.2
69.03470	1.0
69.07069	16.2
71.04997	19.3
71.57484	1.0
73.06602	1.4
79.05497	21.0
81.03461	1.7
81.07060	75.2
83.05020	1.5
83.08616	7.0
85.02946	0.7
85.06573	1.7
91.05480	15.4
93.07044	48.2
95.05006	2.8
95.08608	35.6
95.09244	0.9
97.06565	3.1
97.10197	3.0
98.97630	3.2
99.08105	5.1
105.07040	38.3
107.04969	1.6
107.08599	63.6
109.06558	1.8
109.10160	33.8
110.69250	0.6
111.08112	2.6
111.11771	2.2
113.09667	1.5
115.05453	0.8
116.98650	1.7
117.07046	1.9
119.08587	48.6
121.06527	2.4
121.10149	18.6
123.04461	1.1
123.08078	2.4
123.11714	17.5
125.09631	1.7
127.11207	7.0
128.06194	0.7
129.06992	0.9
131.08580	2.4
133.10141	26.2
133.69777	0.9
135.11696	100.0
137.09627	3.2
137.13255	4.0
139.11195	2.6
143.08620	1.1
143.79465	0.7
145.10104	2.6
147.08008	1.5
147.11693	34.8
149.13277	10.0
151.11165	3.3
153.09091	0.7
153.12695	1.0
157.01720	0.9
159.11687	2.2
160.12489	1.5
161.09639	1.6
161.11977	1.3
161.13264	15.5
163.14845	7.4
165.12837	3.6
174.93796	1.0
175.02756	1.9
175.14848	4.5
177.12752	0.8
177.16403	4.3
179.03331	1.1
179.10703	0.9
179.14259	1.0
193.19455	0.8
203.10567	1.4
203.17967	49.9
221.04399	4.4
221.07942	1.2
221.11583	3.3
221.15239	4.3
221.18880	51.3
242.73201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02403	0.8
53.03948	4.9
54.94884	0.5
55.01868	1.5
55.05516	7.3
56.65427	0.5
56.96569	2.9
57.07086	0.8
58.87649	0.5
59.05004	0.6
65.03943	1.9
67.05508	11.1
67.05835	1.0
67.33367	0.5
69.03452	0.5
69.07072	11.0
71.05003	2.8
71.08175	0.7
73.06585	0.7
77.03910	2.5
78.04723	0.7
79.05499	51.1
81.03470	0.5
81.07062	31.5
83.04987	1.1
83.08621	5.7
85.02909	0.7
85.06547	3.5
91.05486	35.8
93.07050	100.0
95.04984	5.6
95.08614	15.2
97.06538	2.1
98.97609	0.8
99.04454	0.6
101.05984	0.6
105.04529	3.4
105.07036	27.3
107.08601	63.1
109.06565	3.2
109.10159	1.8
111.08134	0.8
114.35104	0.6
117.07039	3.7
119.06097	1.2
119.08590	28.2
121.06529	2.2
121.10150	13.1
123.08059	4.1
127.07570	1.8
128.06177	0.6
129.07016	2.7
131.08577	5.8
133.06488	0.8
133.10141	7.7
135.08081	2.1
135.11722	0.8
137.09602	0.8
139.07545	0.8
142.07806	0.9
142.10745	0.5
143.08572	5.8
145.10120	1.2
147.08084	2.1
147.11690	3.0
153.09090	0.7
157.01784	1.2
157.10149	3.2
159.11707	5.8
161.09636	3.1
161.13266	27.0
165.09183	1.4
175.02805	3.0
175.11192	4.9
175.14812	6.1
179.10674	1.3
185.13266	14.5
193.03859	1.1
198.04337	0.6
202.09880	0.5
203.14337	10.4
221.04495	1.2
221.15376	33.5
221.20058	1.0
222.74092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
52.30054	1.6
53.03934	6.3
55.01886	8.8
55.05514	25.5
56.96558	11.2
57.07060	7.3
59.04953	2.0
65.03926	4.9
67.05507	60.5
69.03418	2.6
69.07069	21.7
70.98131	1.9
71.04997	24.0
71.57545	2.0
73.06560	1.8
74.74517	1.9
77.03886	1.7
79.05495	58.7
79.05961	3.1
81.03425	2.4
81.07061	68.1
83.04988	14.3
83.08632	10.3
85.02910	11.5
85.06567	8.5
87.04494	2.3
91.05481	63.9
93.07046	83.6
95.04971	100.0
95.08049	3.0
95.08607	38.1
97.06533	31.4
97.10162	3.1
98.97566	4.3
99.04485	2.5
99.08073	3.1
102.86561	1.8
103.05484	2.2
105.04527	2.0
105.07037	54.3
107.04961	33.9
107.08601	43.5
109.06516	18.0
109.10144	17.5
111.04446	14.1
111.08052	4.5
113.09645	2.3
115.05445	1.9
116.98603	3.4
117.07034	18.0
119.07793	3.2
119.08582	43.3
121.06506	14.7
121.10165	12.9
123.08073	9.3
123.11714	2.6
128.06207	3.6
129.07005	15.8
131.08545	8.0
133.02805	1.8
133.06502	21.1
133.10143	20.5
134.99695	2.1
135.08038	6.7
135.11707	7.9
137.09605	5.0
143.08568	14.9
145.10118	11.6
147.08015	4.5
147.11699	27.4
149.13177	2.2
151.89331	1.7
154.06412	2.9
157.10109	4.2
159.11726	8.2
161.09596	7.0
161.11969	2.4
161.13264	29.6
163.11188	19.9
165.09149	3.1
171.11696	7.1
175.02823	3.2
175.11243	4.0
175.14796	8.2
177.12737	4.1
179.03285	1.8
179.14328	28.6
182.07796	4.0
185.13293	17.9
189.08536	6.0
189.12724	7.1
193.15977	2.2
198.09050	5.1
200.59293	2.5
203.14355	15.2
221.04466	8.7
221.13452	3.7
221.15370	97.4
221.20053	5.3
241.00294	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	220.1334
Annotation	Darlingine
Peak:m/z	Relative Intensity
53.03924	0.5
55.01863	0.6
55.05494	0.4
56.96555	1.8
57.03434	0.9
57.07097	0.4
67.05533	0.5
69.03432	2.0
69.07058	0.7
70.86745	0.5
70.87061	0.7
73.02916	2.2
81.03430	0.5
81.07071	0.8
85.02899	1.5
86.09691	0.8
87.04471	57.1
91.05496	0.9
93.05848	0.5
93.07062	0.5
97.02312	0.4
97.02901	1.8
97.06608	0.5
98.97597	3.2
103.05470	0.4
105.07021	1.2
110.07156	0.6
110.97566	0.7
113.00851	1.0
116.98634	0.9
117.07017	0.8
118.06535	5.3
119.07336	5.5
121.06483	0.4
123.04369	0.4
128.98590	0.6
131.01901	2.7
131.04880	0.6
131.06827	0.4
133.06494	0.4
133.10094	0.4
134.09656	100.0
137.06032	1.0
149.06017	1.7
151.03958	0.5
154.03767	0.5
157.03445	1.0
158.99608	0.9
161.01295	0.4
162.54025	0.4
167.07011	1.2
169.03445	1.0
174.05397	0.4
174.70868	0.4
177.00717	0.5
178.03893	0.4
193.08636	1.0
199.04341	3.4
199.54643	0.7
204.14708	1.0
205.15884	1.7
208.04942	9.3
208.55083	1.3
211.09682	0.7
217.05524	0.8
219.55833	0.7
220.13335	92.7
221.13608	0.6
223.02791	1.1
241.03851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
69.66590	1.5
69.68861	0.2
78.14133	0.2
84.23925	0.2
85.57493	0.2
87.25024	0.2
94.87845	0.2
104.41645	0.2
106.06651	0.2
118.06547	5.7
119.07249	0.3
132.08096	1.1
133.08879	0.7
134.09688	0.3
146.09647	1.7
147.12154	0.2
158.23386	0.2
160.11211	0.3
162.09149	3.9
162.96188	0.2
163.09836	0.3
176.10762	2.3
176.14354	19.9
177.11455	1.1
190.12254	2.2
191.12988	0.3
202.15889	0.5
220.16968	100.0
221.17216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1334
Annotation	Darlingine
Peak:m/z	Relative Intensity
53.54557	0.5
56.56503	0.5
56.57716	0.5
56.96562	1.0
66.12621	0.4
69.03453	0.9
69.82114	2.5
70.88364	0.5
77.69454	0.5
87.04474	67.6
97.02902	0.7
98.21439	1.1
98.97622	0.7
105.07041	0.9
110.07152	0.6
117.07027	1.3
118.06541	5.7
119.07324	6.7
134.09660	99.1
136.06236	0.7
194.28291	0.5
202.18079	1.0
205.15898	1.1
220.13345	100.0
220.17778	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	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05516	2.9
56.05032	0.6
56.96564	1.6
57.03436	0.9
57.07080	3.6
58.24974	0.4
59.05006	2.3
61.02921	1.2
67.05508	3.7
68.05035	0.6
69.03429	2.9
69.07073	4.2
70.02966	4.2
70.06245	0.4
70.06574	2.0
70.67825	0.4
71.01348	1.3
71.07011	1.1
72.01703	1.0
72.04516	11.0
72.07754	0.7
72.08156	11.4
73.02918	2.5
73.49651	0.4
74.02448	1.0
75.04495	2.2
76.04822	1.3
79.05491	0.7
81.07063	4.3
83.04959	0.6
84.04513	0.7
84.08132	0.7
85.02913	1.0
85.06546	7.3
85.07024	0.8
86.06070	7.4
86.09712	1.4
86.99766	0.5
87.04471	20.3
87.08126	1.0
88.04836	0.5
90.05557	67.9
95.04975	5.2
96.08141	1.7
97.02875	0.9
97.08961	0.8
98.01860	0.3
98.02414	12.4
98.06057	26.8
98.09699	3.3
98.97607	2.0
98.98185	0.5
100.03992	1.4
103.03342	0.7
103.03927	2.9
103.07587	5.6
104.04269	2.1
104.87493	0.4
110.09660	0.9
113.06027	2.0
116.03461	9.7
116.98508	0.4
124.07596	11.2
130.08623	0.7
131.03418	0.6
132.03749	0.6
133.03561	0.4
137.05980	0.5
140.10709	19.5
142.08641	5.3
144.10210	3.7
146.06053	0.8
146.15981	0.4
156.10196	0.6
158.11769	100.0
159.02924	1.9
160.03252	6.0
160.09712	1.4
166.08679	1.2
174.11284	1.4
177.00630	0.5
184.09698	13.0
192.02850	0.4
202.10745	21.8
202.14386	12.1
204.14632	0.9
205.15926	2.6
218.85439	0.5
220.05556	0.6
220.11826	31.5
220.15384	18.6
220.17807	3.7
220.20445	3.1
221.20132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
51.72135	0.3
54.75091	0.3
55.01874	1.0
55.05508	2.3
56.01406	0.4
56.96566	1.0
57.03444	0.5
57.07077	4.0
59.05011	2.7
60.04530	0.7
61.02927	1.4
62.03259	0.4
66.50439	0.3
67.05508	3.0
68.05054	0.4
69.03433	2.4
69.07081	3.5
70.02956	4.3
70.06601	2.9
70.14336	1.0
70.69853	0.3
71.01376	1.6
72.01700	0.7
72.04527	8.4
72.08162	11.2
73.02928	2.1
74.02436	0.6
75.04473	2.0
76.04819	1.3
79.05502	1.2
81.03433	0.4
81.07063	3.8
83.04982	1.1
84.04536	0.4
84.08167	0.7
85.02921	1.0
85.06561	6.3
86.06071	6.7
86.09711	1.3
87.04477	19.6
87.08127	1.5
88.04788	0.8
90.05564	60.3
92.12682	0.3
95.04978	3.4
96.08141	1.5
97.02911	1.1
97.08930	0.6
98.02426	10.0
98.06065	26.0
98.09679	2.3
98.97601	1.3
100.03979	1.1
103.03938	2.1
103.07592	5.0
104.04296	1.9
110.07166	0.6
110.09682	0.3
113.06020	2.3
116.03460	8.8
116.98621	0.5
121.06525	0.4
124.07603	10.8
130.00072	0.3
130.01357	0.3
130.08644	0.6
130.12216	0.4
130.49538	0.3
131.03369	0.6
131.07062	0.7
132.03740	0.5
137.05983	0.4
140.10716	20.8
142.08644	4.6
144.10197	3.3
146.06023	0.6
156.10254	0.7
158.11781	100.0
159.02899	1.8
159.12088	0.6
160.03264	5.6
160.09746	1.7
166.08664	1.8
174.05658	0.3
174.11282	1.4
174.12633	0.3
184.09706	13.2
188.02722	0.7
191.03903	0.3
193.05333	0.4
202.10768	19.9
202.14391	11.3
204.14662	1.0
205.15907	2.3
220.05334	0.8
220.09883	0.8
220.11847	24.3
220.15469	18.2
220.17815	4.1
220.20436	3.0
221.20131	0.8
223.45734	0.3
241.05504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03941	0.9
54.14628	0.8
55.01854	1.1
55.05513	12.9
56.96567	5.1
57.07078	4.4
58.44584	0.9
60.67716	0.9
62.53047	0.8
64.32207	1.0
65.15353	0.8
67.05495	9.2
69.03427	5.1
69.07071	85.1
70.06584	1.8
70.14272	0.8
70.15363	4.0
79.05487	7.6
81.07063	17.4
83.04967	3.0
83.08624	2.9
85.06553	2.7
88.07636	2.5
91.05482	8.7
93.07043	32.8
95.08604	15.8
97.06519	4.0
98.20738	1.0
98.97560	1.6
105.07024	15.6
106.08667	1.7
107.04912	1.1
107.08596	36.4
109.06516	5.6
109.10168	13.7
111.08085	5.4
113.09671	0.9
115.05403	1.7
116.98586	1.2
117.07021	4.7
119.07777	1.5
119.08577	15.3
121.06501	3.8
121.10150	42.0
123.08065	7.1
123.11711	34.0
125.09641	7.8
129.06973	1.2
130.07784	1.1
131.08585	7.2
132.65511	0.9
133.10141	9.2
135.08061	10.6
135.11685	21.2
136.92133	1.3
137.09590	1.5
137.13263	1.2
141.06932	1.2
144.09372	1.0
145.10133	13.5
147.11673	3.5
149.09621	8.3
149.13263	51.0
151.11159	1.3
151.87582	0.8
154.93193	2.5
157.10104	1.1
157.17769	1.3
159.02939	1.2
159.11723	11.7
161.13268	21.2
163.11188	7.9
172.94310	6.2
173.13229	4.0
174.06760	1.1
175.14827	3.7
177.12630	1.8
177.16380	4.8
189.09079	1.0
190.95348	4.0
191.14333	0.9
191.17970	2.5
201.16368	12.5
201.20416	1.5
203.14325	9.3
213.97176	0.9
219.10123	1.8
219.13873	3.6
219.17444	100.0
219.21419	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
50.01556	0.1
51.02369	0.2
53.03938	1.0
55.01868	0.9
55.05511	5.0
56.96558	0.4
57.03438	0.6
57.07072	0.7
58.03999	0.1
59.05014	0.2
65.03939	0.7
67.05505	16.3
69.03422	1.0
69.07066	4.2
69.44682	1.1
71.05003	0.7
75.65871	0.1
77.03939	0.3
79.05494	21.2
81.03419	2.8
81.07058	17.1
83.04996	1.2
83.08622	2.3
84.53248	0.1
85.06550	0.5
91.05482	20.9
93.07047	20.3
95.04969	2.6
95.08608	10.5
97.06525	1.3
97.10181	1.5
99.08103	0.4
103.05497	0.3
105.04526	0.5
105.07033	8.1
107.04192	0.2
107.04956	5.4
107.08598	10.9
109.06518	1.2
109.10155	4.0
111.08093	0.7
113.09623	0.4
115.05450	0.5
116.06245	0.2
117.07024	7.3
119.06131	0.2
119.08584	7.4
121.06512	3.4
121.10146	8.2
122.08333	0.1
123.08073	1.9
123.11705	0.8
125.09643	0.3
130.07765	0.4
131.08571	13.4
133.10138	3.7
135.08055	0.7
135.11699	4.3
137.09595	0.9
139.11272	0.2
143.08499	0.2
144.09366	0.3
145.10127	6.2
145.11295	0.3
147.11685	0.9
149.09622	0.4
149.13292	0.7
153.12747	0.5
156.39340	0.2
159.11696	3.3
160.12488	0.2
161.13303	0.8
163.11211	0.3
172.94284	0.2
173.13316	1.0
173.14603	0.2
175.14789	0.5
177.12703	0.3
182.36392	0.1
190.95332	0.3
191.17995	0.5
201.16379	3.3
203.14317	0.4
219.17439	100.0
220.17786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Solavetivone
Peak:m/z	Relative Intensity
52.89338	1.0
55.05511	7.2
55.35110	0.9
55.73331	0.9
56.96557	1.1
57.03420	1.5
57.07071	2.5
58.53450	0.8
59.04987	1.8
63.74207	0.8
64.24247	0.9
65.54176	0.8
67.05237	0.7
67.05509	8.7
69.07071	25.2
70.14861	3.8
71.05001	6.6
79.05489	5.0
81.07056	15.5
83.04976	1.8
83.08624	3.5
85.06530	3.5
91.05484	4.5
93.07043	14.9
95.04951	3.5
95.08609	24.5
97.06541	2.2
97.10155	2.5
105.07036	19.1
107.07868	1.4
107.08590	19.0
109.06526	5.5
109.10161	24.9
111.08049	2.4
117.07018	3.9
119.08583	20.2
121.06504	2.3
121.09318	1.6
121.10145	20.5
123.08068	3.0
123.11712	6.2
125.09607	2.6
130.07785	2.2
131.08582	6.3
133.10139	7.8
135.08038	4.6
135.11687	15.7
137.09628	13.0
137.13237	1.2
138.08112	0.9
138.37111	1.0
145.10132	23.4
147.11691	5.2
149.09639	9.9
149.13257	4.8
151.11174	1.5
159.11699	11.9
161.13252	10.1
163.11168	16.6
163.14867	1.5
173.13211	3.8
175.11479	2.6
175.14822	6.4
177.12749	5.2
177.16338	2.6
186.62303	2.2
191.17963	9.7
201.12642	1.1
201.16388	18.6
203.14252	2.8
205.07523	1.0
210.11873	0.9
219.17447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
50.44530	0.2
53.03938	1.0
55.01875	1.4
55.05272	0.3
55.05513	5.7
56.96554	0.8
57.03429	0.4
57.07059	0.7
65.03928	0.7
67.05505	16.7
69.03423	1.2
69.06718	0.4
69.07068	4.2
69.75773	0.5
69.76182	0.7
71.04983	0.5
77.03912	0.5
79.05492	18.1
81.03419	2.6
81.07056	15.5
83.04964	0.8
83.08617	2.1
85.06541	0.4
89.36790	0.2
91.05479	20.0
93.07047	19.4
95.04958	2.5
95.08607	10.6
97.06532	1.1
97.10169	1.0
98.20744	0.4
99.08086	0.4
101.12681	0.2
103.05440	0.4
105.04489	0.4
105.06303	0.2
105.07027	8.0
107.04951	5.0
107.08595	9.9
109.06527	1.5
109.09466	0.3
109.10161	3.9
111.08079	0.5
111.11720	0.3
113.09631	0.6
115.05399	0.5
117.06216	0.4
117.07021	7.4
119.08588	7.1
121.06535	2.6
121.10144	7.7
123.08100	1.5
123.11698	0.7
125.09628	0.2
129.06992	0.5
131.08568	13.4
133.10127	3.9
135.08057	0.6
135.11705	3.9
136.55092	0.2
136.92168	0.3
137.09639	1.0
145.09045	0.4
145.10129	5.6
147.11696	1.0
149.09619	0.4
149.13246	0.6
153.12796	0.4
154.77896	0.2
154.93204	0.6
157.10152	0.3
159.11688	3.3
161.13251	0.8
162.50339	0.2
163.11166	0.3
172.94243	1.4
173.13251	1.0
175.14890	0.4
177.12802	0.3
190.95341	0.4
191.17938	0.3
195.95956	0.3
201.16400	3.1
203.14288	0.7
213.96875	0.3
219.17438	100.0
220.17813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01878	0.8
55.05521	1.4
56.19039	0.8
56.96571	8.8
60.04529	100.0
61.02937	1.3
67.05524	0.6
69.03423	0.8
69.07096	0.9
70.02962	1.6
70.72710	1.8
71.01360	1.8
72.08166	3.6
73.02912	1.3
74.06081	1.4
76.91345	0.7
81.03434	3.2
84.08138	1.2
84.96084	1.1
85.02908	1.5
86.06079	0.7
86.09710	72.0
87.04469	2.2
87.05590	4.5
91.05511	2.8
92.85477	0.8
97.02906	1.4
98.06089	1.2
98.97591	44.7
103.03973	2.3
109.02830	1.1
110.97578	5.9
116.98626	16.1
119.04975	2.9
124.99155	3.8
126.09261	0.8
128.10754	2.4
128.98596	4.1
129.14360	0.7
130.08652	0.8
131.03427	0.9
132.10213	56.4
133.82199	0.7
134.99699	3.1
136.93150	0.8
137.02348	31.8
140.98596	1.1
143.00191	6.9
145.06538	0.7
146.99701	2.0
147.04413	9.6
158.11768	6.0
158.99701	3.9
159.02972	3.1
161.01270	2.1
164.05251	0.7
169.01610	1.2
170.99774	1.0
173.01349	0.7
173.12875	34.7
177.00777	5.4
178.02104	4.3
178.52234	1.0
179.03418	5.6
185.01253	2.0
187.02571	4.8
189.00777	0.8
195.01874	1.2
196.03123	7.4
196.04697	0.8
201.00801	1.7
201.12323	6.3
202.14369	1.3
203.14392	2.7
205.03732	0.9
219.01750	4.3
219.13402	18.1
219.17282	12.8
220.15584	0.9
237.00731	0.9
237.02742	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01884	1.0
55.05511	1.6
56.96543	0.8
57.03436	0.9
67.05502	1.4
67.54844	0.8
69.28908	5.8
79.05540	0.9
81.07035	2.7
83.04936	1.2
85.02871	0.8
91.05489	8.2
93.07030	1.5
95.04961	0.9
95.08611	1.1
98.97598	1.9
103.05444	1.7
105.07014	2.9
105.80510	0.7
107.08600	1.6
111.04471	1.0
115.05431	6.1
116.06223	3.1
117.07024	2.6
119.08570	2.1
121.10142	1.1
128.06227	7.2
129.07011	31.1
130.07770	2.0
131.04941	6.9
131.08577	29.4
132.05687	0.8
133.10118	2.7
135.00430	0.8
137.05948	2.7
141.06998	28.0
143.08543	2.0
144.05653	4.4
145.06459	4.8
145.10144	1.4
146.07236	4.2
148.05199	1.0
157.06493	17.6
158.07285	16.5
159.02840	0.8
159.04416	1.6
159.08064	22.6
159.11560	0.8
160.05182	4.4
161.05942	0.8
161.09630	2.7
161.13246	1.6
162.81157	0.8
163.07553	1.6
163.59116	0.8
169.06470	12.7
169.07664	0.8
170.07280	5.4
173.06061	3.8
173.09654	1.1
174.06775	58.1
175.07538	9.8
186.06775	12.7
187.07602	1.4
188.08330	3.3
189.09114	77.4
191.07018	1.7
191.10654	6.1
201.09102	31.9
203.14305	3.2
211.30453	0.8
219.10172	100.0
219.17418	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01849	0.7
55.05510	1.5
56.96567	3.5
57.03418	1.2
57.16236	0.6
59.78086	0.7
60.04514	0.6
67.05492	1.5
69.07062	1.6
71.01087	1.1
79.05489	1.6
81.07034	2.9
83.04991	0.8
85.02867	0.9
85.78842	0.7
91.05485	7.0
93.07030	2.5
95.08576	2.8
98.97588	3.3
103.05472	2.0
105.07037	3.4
107.08593	2.8
109.10154	1.0
111.04408	1.1
115.05455	6.3
116.06223	1.3
116.98590	1.3
117.07035	3.3
119.08556	2.8
120.08060	2.1
121.10112	2.3
128.06207	6.7
129.07014	27.1
130.07779	2.6
131.04927	5.0
131.08565	28.8
133.10130	3.6
135.08047	1.0
135.11707	0.9
137.05992	3.1
141.06995	23.3
143.04897	1.6
143.08592	1.8
144.05678	4.5
145.06493	3.8
145.10130	2.1
146.07281	3.3
146.66507	0.8
148.05159	0.9
154.93207	2.1
155.05995	1.1
157.06493	17.7
158.07274	14.0
159.03000	1.5
159.04416	2.9
159.08064	19.7
159.11749	1.7
160.05182	3.1
161.09631	3.0
161.13251	1.7
163.07533	2.9
168.05728	0.8
169.06459	9.9
169.07613	0.9
170.07259	4.5
171.08086	0.8
172.94235	2.2
173.06050	2.3
173.09547	1.0
174.06769	55.9
175.07550	8.8
177.09169	0.7
183.08167	0.8
185.06009	0.8
186.06763	12.7
187.07542	1.4
188.08315	2.0
189.09113	70.2
190.95261	1.3
191.07097	1.3
191.10672	6.4
201.09125	33.0
201.16347	1.9
203.14325	4.7
219.10161	100.0
219.17401	25.2
224.38191	0.8
238.39404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66363	19.6
54.46164	18.0
54.73428	22.0
57.65478	18.8
60.62632	19.9
71.19755	48.6
89.59258	21.0
94.06573	34.0
98.97576	21.8
115.43649	22.0
121.33217	25.2
219.02632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88931	0.8
54.73983	0.8
55.01873	4.3
56.96572	4.3
57.03412	1.0
58.69060	0.7
59.04997	1.1
60.04508	2.6
61.02655	1.3
61.02934	19.6
69.52655	5.2
71.01358	34.7
72.08163	1.0
75.04485	51.3
84.99250	1.2
85.02899	1.8
86.09682	2.4
87.04476	15.1
89.02406	8.0
93.07052	1.0
93.12663	0.7
98.97594	15.5
101.05997	1.1
103.03946	58.2
106.94634	0.8
116.98638	4.3
119.04934	1.0
121.10132	0.9
131.03403	12.1
132.10207	1.5
133.01572	1.0
136.92184	1.5
140.10744	0.9
143.00189	0.9
147.01225	1.2
147.04378	2.7
147.50883	1.0
148.34749	0.8
154.93199	2.1
158.11772	1.9
159.02898	100.0
164.18587	0.8
172.94292	3.2
173.12897	1.1
175.08646	1.0
177.00685	2.9
187.02385	8.2
195.95718	1.0
197.47227	0.9
203.14337	3.2
219.05002	12.9
219.17340	13.4
232.84534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02252	5.1
57.03433	7.4
60.04519	23.7
61.02918	22.9
69.03423	17.4
69.07040	7.7
71.01352	8.6
71.54028	9.6
72.08158	45.5
74.06082	19.4
82.01443	8.8
84.04487	11.3
84.08141	5.9
85.02908	16.1
86.09706	100.0
98.97607	9.0
101.00860	18.0
102.71598	5.8
103.03930	7.1
113.02348	15.1
119.01926	29.6
120.03441	8.2
121.01676	12.8
126.98830	5.8
131.01917	7.3
132.10220	17.8
133.03459	12.1
143.01949	11.2
155.01826	6.3
161.02942	15.8
172.99272	7.7
173.03008	12.0
173.12881	10.8
175.11676	12.9
177.02412	8.9
186.03200	6.1
187.00906	10.0
189.03236	13.0
191.00470	6.0
191.02168	6.7
196.00961	15.6
203.14362	8.8
214.63098	5.9
219.02670	21.3
219.13390	10.0
219.17390	50.2
221.05110	11.4
239.06107	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	218.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01872	1.6
55.05513	3.2
56.05030	1.9
56.05835	1.3
56.96574	6.3
57.03442	5.9
60.08169	1.9
61.02942	1.9
67.05507	2.4
68.05032	1.4
69.03428	5.2
69.07082	8.0
69.54261	2.0
69.54671	3.4
70.06599	71.6
71.01396	1.3
71.04996	2.9
72.04515	2.7
72.08161	8.6
73.02920	1.9
73.08488	4.5
79.05499	2.1
81.07085	4.7
82.06608	1.2
83.04994	1.2
84.04505	5.0
84.05321	1.3
84.08150	10.2
85.02914	6.3
86.06075	38.4
86.09721	3.1
87.04476	46.5
88.07629	8.1
94.02944	1.0
95.08615	2.6
96.08146	1.8
97.06539	32.7
98.06074	2.1
98.09703	2.6
98.97596	52.0
99.08111	6.6
100.07590	1.7
101.00893	2.6
102.00966	2.9
102.05575	2.7
104.07116	16.9
110.09671	2.9
110.97614	1.1
111.04496	1.1
112.04783	1.8
112.07617	2.7
113.00861	1.3
114.09183	17.9
116.10777	1.5
116.98631	23.1
117.01859	1.0
119.01946	4.0
120.00739	0.9
120.02005	4.8
126.09186	1.0
128.07103	1.7
129.10248	1.8
130.05028	4.2
130.08678	1.7
131.01906	1.9
131.03465	1.4
133.03447	1.0
134.03651	0.9
134.99678	4.5
136.06177	2.2
137.05971	1.2
138.09154	6.7
140.00194	2.1
142.08606	6.1
145.03539	1.4
146.03650	4.3
146.23392	0.8
147.04430	1.9
147.11269	1.4
154.08688	2.4
154.12296	1.9
154.49673	0.9
156.06462	5.8
156.10219	39.1
157.10985	2.0
158.01300	3.0
158.08170	1.6
158.99739	1.9
161.02948	1.4
164.04730	1.5
167.99782	0.9
172.06145	5.5
172.09682	1.7
172.13300	1.1
173.03020	0.9
174.11278	37.0
174.99130	1.5
175.99498	2.0
176.02454	1.3
177.00763	7.5
182.11780	2.9
190.02554	1.5
190.07193	2.6
194.00526	1.3
194.05287	2.1
195.01767	3.1
200.04024	0.9
200.05725	1.7
200.12833	100.0
201.02454	2.3
201.12590	0.7
215.04271	1.1
218.02156	1.2
218.06860	7.2
218.10530	2.8
218.13843	8.6
218.17476	12.6
219.03552	2.3
236.06337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
55.05513	13.7
56.96571	0.8
57.07068	1.4
61.96608	0.9
67.05511	16.0
69.07070	19.4
70.07973	4.2
77.31808	0.9
79.05494	6.9
81.07062	42.1
83.04992	11.7
83.08626	6.4
87.04475	1.3
89.02343	1.4
89.06032	3.5
89.20722	0.8
91.05482	8.4
93.07051	14.5
95.04977	1.1
95.08612	30.1
97.10186	2.0
98.20818	1.2
101.06047	7.5
105.07036	41.7
107.08597	24.3
109.10159	36.1
109.10928	1.3
111.04445	24.8
113.06021	2.2
116.57120	0.8
117.07023	1.9
119.08586	35.0
121.10156	23.1
123.11707	15.5
127.07581	1.4
127.75596	0.8
129.05469	2.7
131.08578	2.5
133.10147	24.7
135.11705	12.1
137.13226	3.7
145.10120	1.9
147.11687	37.7
149.13264	4.4
155.07025	22.9
159.11713	1.9
160.05077	1.0
161.13261	44.5
173.08098	21.1
173.09505	1.6
175.14871	9.2
189.16414	4.2
199.09702	2.2
203.43742	0.9
217.10706	18.2
217.12642	1.4
217.19528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
55.05502	7.9
58.39409	1.8
58.84130	1.8
67.05496	8.9
69.07065	17.8
69.56650	2.0
70.51237	3.8
70.51630	4.3
79.05488	5.8
81.07066	19.1
82.17414	2.2
83.04982	4.5
83.08627	4.8
84.82539	2.0
91.05474	6.9
93.07056	11.7
95.08614	45.5
100.07588	2.9
105.07029	26.2
107.08593	24.6
109.10166	31.5
111.04462	8.1
111.11715	3.0
118.43213	1.9
119.08604	19.6
121.10147	25.1
123.11706	12.3
127.09448	3.1
133.10152	14.9
135.11708	4.8
144.45598	2.0
147.11685	23.5
147.78896	1.7
149.13264	4.1
155.07060	10.8
159.11792	3.3
161.13284	32.1
173.08127	6.8
175.14827	8.8
189.16447	3.6
199.11565	7.1
217.10497	31.7
217.12636	16.6
217.16127	4.4
217.19531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.77623	0.5
52.27876	0.6
53.03939	0.7
53.27946	0.5
55.01880	0.5
55.05513	20.0
56.96547	1.1
57.07086	2.7
59.04989	1.8
65.03931	0.9
67.05508	17.5
69.03422	1.1
69.07071	21.0
69.66824	3.3
71.08644	0.9
79.05499	9.0
81.07063	39.4
83.04986	18.8
83.08619	7.6
85.06530	2.2
87.04465	1.9
89.02391	1.1
89.06037	5.1
91.05488	13.5
93.07048	17.2
95.04968	1.6
95.08612	36.2
97.10170	3.2
99.04436	1.0
101.06023	9.8
103.05490	0.9
105.03406	1.0
105.07036	43.8
107.08601	25.7
108.96651	0.8
109.06532	1.3
109.10164	37.4
111.04452	35.7
111.05094	0.5
111.07950	0.7
113.06010	3.2
117.07027	3.6
119.08590	39.4
120.08953	0.6
121.06521	0.8
121.09325	1.2
121.10154	20.6
123.11716	13.3
124.58715	0.6
125.09629	0.7
127.07564	3.6
129.05498	5.5
129.07007	2.1
131.08574	4.8
133.10138	29.3
135.11708	12.7
137.05971	0.9
137.13260	3.3
139.01587	1.1
142.07690	0.7
143.08559	2.4
145.10104	3.1
146.10907	1.2
147.08031	0.8
147.11697	38.7
149.13263	4.6
150.19588	0.6
155.07045	36.5
157.10100	3.0
159.11671	2.7
161.09630	1.3
161.13266	47.6
171.11720	1.5
173.08116	33.6
173.13248	2.1
174.13963	0.6
175.14836	9.0
189.09155	0.7
189.16376	4.5
199.09669	3.1
199.11456	1.0
199.14822	2.9
200.48064	0.6
217.08858	1.2
217.10732	28.4
217.12523	1.9
217.16229	13.4
217.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01862	2.5
55.05510	36.5
55.56274	1.0
57.03418	1.1
57.07054	4.0
59.04980	2.9
65.03939	1.4
67.05185	1.4
67.05507	20.5
68.36883	0.9
68.55875	1.0
69.03415	5.6
69.07070	31.2
69.29178	7.2
69.29581	2.4
71.04986	1.2
71.08614	1.3
73.02892	1.3
77.03921	1.3
79.05490	13.9
81.03386	1.7
81.07058	48.8
83.04981	42.4
83.08612	11.5
85.06509	3.2
87.04443	4.5
89.02383	3.4
89.06030	12.8
91.05478	22.0
93.06471	2.1
93.07040	30.6
95.04970	20.9
95.08609	42.5
97.06511	4.2
97.10159	3.1
99.04437	2.8
101.06025	18.8
105.07033	69.9
107.04937	1.4
107.07879	1.7
107.08598	37.0
109.06530	8.6
109.10158	47.1
111.04446	74.6
111.08056	3.0
113.05983	5.8
115.05421	1.9
117.07028	5.7
119.08585	76.4
121.06472	4.1
121.10148	43.4
123.08093	5.6
123.11712	13.5
126.05999	1.0
126.56148	1.9
127.05874	1.2
127.07558	6.7
128.06242	2.3
129.05492	12.7
129.06961	5.1
131.08563	13.3
133.06447	3.4
133.10135	44.5
135.06471	1.7
135.07994	3.7
135.11707	16.4
135.56645	2.1
137.09572	2.3
137.13231	2.8
142.07747	4.4
143.08560	8.6
144.09294	1.8
145.10139	11.3
145.56898	3.5
147.08095	8.0
147.11679	40.7
148.08847	1.5
149.09598	4.3
149.13239	4.4
154.57338	3.4
155.07034	83.8
156.09326	2.9
157.10138	15.5
157.58762	2.3
159.11693	12.6
161.09631	19.8
161.13252	42.5
166.59198	2.0
167.09050	2.7
170.10840	1.3
171.11644	5.1
173.08102	64.5
173.13245	11.4
175.11171	7.7
175.14824	16.1
175.59828	5.5
176.09618	5.9
184.10262	2.7
184.12381	2.6
184.60333	9.4
185.10109	3.9
187.14789	3.5
189.09084	2.3
189.12747	1.4
189.16393	13.3
190.65927	1.3
193.60867	1.9
196.11140	1.5
199.09618	6.0
199.11353	2.1
199.14815	20.6
217.04895	2.1
217.09023	2.3
217.10715	56.7
217.12418	2.6
217.15919	90.4
217.19475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.7
56.96571	0.8
57.07068	1.4
61.96608	0.9
67.05511	16.0
69.07070	19.4
70.07973	4.2
77.31808	0.9
79.05494	6.9
81.07062	42.1
83.04992	11.7
83.08626	6.4
87.04475	1.3
89.02343	1.4
89.06032	3.5
89.20722	0.8
91.05482	8.4
93.07051	14.5
95.04977	1.1
95.08612	30.1
97.10186	2.0
98.20818	1.2
101.06047	7.5
105.07036	41.7
107.08597	24.3
109.10159	36.1
109.10928	1.3
111.04445	24.8
113.06021	2.2
116.57120	0.8
117.07023	1.9
119.08586	35.0
121.10156	23.1
123.11707	15.5
127.07581	1.4
127.75596	0.8
129.05469	2.7
131.08578	2.5
133.10147	24.7
135.11705	12.1
137.13226	3.7
145.10120	1.9
147.11687	37.7
149.13264	4.4
155.07025	22.9
159.11713	1.9
160.05077	1.0
161.13261	44.5
173.08098	21.1
173.09505	1.6
175.14871	9.2
189.16414	4.2
199.09702	2.2
203.43742	0.9
217.10706	18.2
217.12642	1.4
217.19528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	2.4
55.05513	35.8
56.96568	1.2
57.07076	4.3
59.04995	3.5
65.03928	1.6
67.05506	24.1
69.03439	4.1
69.07071	30.3
69.96561	3.3
71.04982	2.8
73.02907	2.2
73.06536	1.3
76.25250	1.0
79.05499	13.3
81.03384	1.0
81.07060	52.4
83.04984	38.6
83.08619	11.1
85.06531	3.8
87.04472	3.1
89.02399	3.3
89.06026	10.2
91.05481	19.4
91.06008	1.4
93.07048	31.5
95.04971	28.1
95.05556	1.8
95.08611	45.7
97.06545	5.8
97.10179	2.2
99.04482	2.0
101.06021	17.0
103.05476	1.0
105.07035	72.6
107.04971	1.4
107.08598	36.0
109.06509	9.4
109.10159	44.4
111.04445	67.5
111.08075	2.3
113.05988	5.9
115.05465	1.2
117.07021	5.4
118.07853	1.1
119.08586	61.5
121.06531	3.4
121.10148	52.9
123.08086	6.2
123.11716	14.1
126.56208	1.3
127.07558	7.6
127.09518	1.2
128.06256	2.4
129.05496	9.9
129.06996	4.6
130.07805	1.3
131.08566	10.9
133.06548	1.3
133.10132	42.9
135.08081	2.2
135.11684	12.3
135.56602	1.4
137.09634	2.0
137.13274	3.1
139.01579	1.2
140.66316	1.0
142.07802	3.7
143.08600	9.5
144.09332	1.4
145.10139	8.7
145.56900	2.0
146.10878	1.9
147.08081	6.0
147.11690	41.4
148.08904	2.0
149.09622	2.0
149.13278	4.1
154.57463	3.3
155.07039	73.1
156.09363	3.8
157.10141	15.0
157.58829	1.1
159.11687	7.5
161.09636	17.6
161.13260	47.7
162.94617	1.0
166.59271	3.4
170.10939	1.0
171.11728	5.1
173.08109	61.6
173.13284	9.5
175.11214	4.0
175.14845	14.1
175.59882	5.1
176.09694	3.6
184.10197	1.3
184.12540	2.7
184.60435	5.2
185.10307	3.0
187.10608	1.1
187.14870	3.7
189.12733	1.1
189.16393	11.7
199.09686	6.0
199.11371	1.7
199.14819	20.6
217.05052	2.8
217.08742	1.6
217.10703	51.9
217.12517	6.3
217.15929	80.7
217.19484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01877	2.3
55.05511	19.9
55.05782	1.1
57.03438	1.5
59.04999	5.9
60.04522	1.0
65.03929	0.9
67.05535	3.7
67.24273	0.6
69.03431	3.0
69.07049	1.1
69.71150	4.5
71.04992	8.8
73.02912	1.1
79.05494	20.3
81.02972	0.9
81.03414	6.4
81.07043	4.8
83.04982	30.6
83.08618	1.3
84.08143	1.7
85.02894	1.3
85.06556	2.1
87.04484	4.4
89.02407	3.2
89.06033	7.4
91.05490	8.2
93.07059	3.0
95.04986	1.5
95.08592	1.0
97.06520	5.2
98.20721	0.8
98.97610	1.0
99.04466	2.6
99.08089	0.9
101.06011	15.0
101.27940	0.6
105.07024	4.1
107.04958	26.6
107.08593	16.6
109.06524	7.7
111.04443	52.1
111.08039	0.8
113.05994	3.7
115.05428	1.5
117.07029	1.9
121.06506	100.0
123.08083	1.2
125.09615	1.3
127.07560	12.8
129.05487	7.2
130.06555	0.9
135.08054	74.6
137.05986	2.1
149.08395	1.3
149.09621	39.8
153.09099	11.4
155.07034	53.4
157.07616	1.0
167.10667	13.5
173.08102	48.9
184.42815	0.7
185.11694	2.6
188.67189	0.7
191.81241	0.7
199.09715	4.3
202.37920	0.7
217.10706	38.3
217.12418	1.5
217.14250	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1549
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
50.66822	0.2
53.03955	0.3
55.01867	0.4
55.05512	16.5
56.05033	0.6
56.96564	3.1
57.03440	0.4
57.05818	0.6
59.05006	0.9
60.04534	0.6
61.02956	0.3
65.03925	0.3
67.05516	1.2
69.03432	0.9
69.07045	0.6
69.33904	0.4
69.34302	1.7
70.06596	3.2
70.09994	0.3
70.98116	1.2
70.98457	0.2
71.05004	0.5
72.08157	100.0
73.02911	0.8
73.08524	0.2
74.06074	0.7
79.34000	0.2
81.03397	0.2
81.07078	0.5
82.99863	0.7
83.04984	12.8
83.08616	0.4
84.04529	0.5
84.08154	2.3
85.01432	0.6
85.02911	0.6
85.06547	0.9
86.06075	0.7
86.09708	1.1
87.04463	1.6
88.99174	0.6
89.02425	1.4
89.06030	3.5
91.05518	0.4
91.06117	0.2
97.02904	0.8
97.06519	0.3
98.97589	5.2
99.04476	0.9
101.00892	5.3
101.06017	6.3
103.02435	1.4
103.37283	0.2
104.07031	0.3
110.97597	0.7
111.04446	21.3
112.07626	0.3
113.00909	0.5
113.06006	2.1
115.02411	0.3
116.07108	0.5
116.98636	2.2
118.08667	3.1
119.01922	8.1
121.03503	0.3
121.73888	0.2
127.02427	0.9
127.07561	2.1
128.98611	0.9
129.05487	3.6
129.10251	1.1
130.08675	0.6
131.00174	0.2
131.01939	1.2
132.95880	0.5
133.03499	1.0
134.99680	0.3
137.02985	1.2
137.05978	0.9
140.98674	0.4
141.98700	0.3
143.01970	0.4
145.03464	8.0
147.01416	0.8
149.04776	0.3
155.07033	24.6
156.04053	0.3
156.10197	0.5
156.98117	0.6
157.03532	0.5
157.05058	0.3
158.99698	1.1
161.03021	0.4
163.03210	0.3
163.04532	2.5
171.01390	1.1
171.14894	1.6
173.03017	0.9
173.08109	19.7
174.05093	0.3
174.11324	0.9
174.99178	2.1
175.00797	0.5
175.04550	0.4
176.05057	0.7
177.00685	1.2
185.05556	0.9
186.96855	0.5
189.02438	3.3
189.09096	0.4
191.04079	0.5
191.05748	0.4
193.00227	1.5
193.01952	0.5
199.09637	2.1
200.12759	1.3
207.03543	1.1
212.07883	0.3
217.00290	0.5
217.01961	1.0
217.10730	17.1
217.15401	4.7
217.17323	0.4
218.17653	0.3
235.01057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01881	2.3
55.05515	11.9
57.03467	0.9
58.44738	0.6
59.05001	4.6
64.21765	0.4
65.03937	1.0
67.05500	3.0
69.03441	1.9
69.07050	1.1
70.73747	1.5
71.04995	9.2
79.05497	18.1
81.03424	7.3
81.07070	5.7
82.54440	0.5
82.85204	0.5
83.04987	17.9
83.08649	1.0
85.02902	1.3
85.06559	0.9
86.76715	0.4
87.04484	2.6
89.02406	1.0
89.06016	4.4
91.05488	9.3
93.07033	3.5
95.04978	1.4
95.08595	0.7
97.06527	4.1
98.97600	0.9
99.04486	1.0
99.08088	0.8
101.06020	7.4
105.07026	5.4
107.04959	25.7
107.08600	13.0
107.66491	0.5
109.06510	8.1
109.10181	0.5
111.04448	28.8
113.06030	2.0
115.05484	0.5
117.07001	2.9
119.06087	0.8
119.08636	0.9
121.06512	100.0
123.08058	1.4
125.09624	1.2
127.07559	13.1
128.02475	0.5
129.05478	4.1
135.08061	77.5
137.06015	0.8
137.09630	1.0
143.08560	0.8
149.09625	37.7
153.09111	12.1
155.07040	30.0
167.10687	13.5
173.08109	26.1
185.11737	3.3
199.09718	2.4
199.14830	0.9
217.08749	1.4
217.10698	20.8
217.12529	0.8
217.14250	1.2
217.16014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
51.94151	1.2
52.61694	1.5
55.01865	2.8
55.05513	22.5
57.03431	2.8
57.07076	2.9
59.45375	1.6
59.82263	1.3
64.91388	1.4
67.05169	2.5
67.05508	29.7
67.60490	1.4
69.07076	26.5
70.90920	1.9
70.91238	2.3
71.04995	16.1
73.06556	2.3
74.09726	2.0
76.43199	1.5
79.05496	17.9
80.00227	1.4
81.07065	77.8
83.04995	6.3
83.08628	20.5
83.60742	1.4
85.06541	22.7
91.05489	19.0
93.07050	20.1
94.06723	1.5
95.04953	1.4
95.08616	100.0
97.06538	26.4
97.10175	9.5
98.15733	1.4
98.98483	2.4
99.08097	10.5
104.92496	1.3
105.07038	24.7
107.08594	11.7
109.06509	3.5
109.10159	10.4
111.08095	4.6
113.09660	1.9
114.44588	1.6
115.07555	1.7
117.07040	2.2
119.08591	37.0
121.10141	9.9
123.08101	6.8
123.11713	1.5
131.08575	5.1
133.10150	24.3
135.11702	19.9
137.09676	2.5
137.13280	17.3
137.39072	1.6
139.01569	2.6
145.10143	5.3
150.96921	2.2
159.11710	9.3
161.13268	80.6
173.13231	2.9
179.14323	44.2
197.15375	17.2
215.14449	2.7
215.16507	1.2
215.17993	13.3
216.12282	3.7
232.35316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05521	0.9
56.05038	0.7
56.96569	80.1
57.03437	3.2
60.95844	0.8
61.02937	5.4
65.80372	0.5
68.05042	0.8
69.03436	3.2
69.07075	7.3
70.06596	79.1
70.98138	4.3
71.06297	1.8
71.06927	14.7
71.07291	1.1
71.55590	0.5
71.95260	4.0
72.04530	0.6
72.08169	3.0
72.96046	3.3
73.02917	5.2
73.06578	0.6
74.97635	1.1
75.04479	0.6
81.03429	1.1
82.01455	0.9
82.06581	0.5
82.99818	3.6
83.00789	0.9
84.04536	0.5
84.08152	5.3
84.96041	6.4
85.02908	4.6
86.09709	100.0
86.97598	0.8
87.04451	0.8
87.10052	0.6
88.99168	1.3
89.00792	0.8
90.01587	0.8
93.96249	0.5
95.04958	0.7
97.02891	3.6
97.06536	9.9
97.96770	0.6
97.99187	0.7
98.06062	1.2
98.97589	93.3
99.04478	0.9
99.97900	0.8
100.02500	3.5
100.99150	16.9
101.00882	37.6
102.96930	1.8
103.00655	0.8
103.02460	0.8
104.01315	0.8
105.00330	0.6
107.04963	2.0
109.02899	1.3
110.01310	1.6
110.07180	1.6
110.36658	0.5
110.97575	14.4
111.02995	0.6
112.00991	1.0
112.02486	1.6
112.05051	0.6
112.07613	2.0
112.08720	0.8
112.99143	2.2
113.00903	1.3
113.01787	0.8
114.04021	1.0
114.96893	1.5
115.02450	1.2
116.07091	4.9
116.98630	41.8
117.07459	3.3
118.03518	9.5
118.04303	0.7
119.00193	6.2
119.01924	95.1
120.02011	1.0
121.01607	1.6
124.00772	1.7
124.02416	0.8
125.01821	0.7
126.07699	0.6
126.97057	5.1
127.02425	0.9
127.03918	2.2
128.02289	2.1
128.98616	15.6
130.01939	0.7
130.03511	2.8
131.00227	3.2
131.01915	6.4
132.01915	0.9
132.97914	0.9
133.01556	1.9
133.03467	3.6
134.99669	12.3
135.04411	0.7
136.00725	2.1
136.04556	1.7
136.06252	1.2
137.02959	21.0
137.05934	0.6
138.05571	0.7
139.01538	0.6
139.03381	0.6
140.00279	1.4
141.01283	0.8
142.01845	1.3
142.03529	1.5
143.00214	0.9
143.01862	2.6
144.05037	2.8
144.08727	2.1
144.98106	10.0
145.01636	1.3
145.03490	2.1
146.99655	12.7
147.01370	1.5
147.05072	0.7
148.02020	1.3
149.01215	2.1
149.02940	2.1
149.05983	1.0
150.96887	0.5
151.04535	1.2
152.10699	0.8
154.01776	7.3
154.03616	2.7
154.96626	1.0
155.01927	0.9
155.05548	2.3
156.03545	0.6
156.07726	0.8
158.01283	0.7
158.99690	2.9
159.01190	0.8
159.04965	0.7
160.06421	1.6
161.01224	0.6
161.02960	3.9
162.01819	0.8
162.09784	1.4
162.99135	7.2
163.02696	1.8
165.00719	8.4
168.01659	0.8
168.03333	1.1
168.05051	1.1
168.08691	5.1
169.02509	1.2
170.01297	1.3
170.99628	0.6
172.02829	8.2
172.04564	3.1
172.97586	7.9
173.01476	0.9
173.02974	4.4
173.04416	0.8
173.06613	2.5
174.04442	0.7
174.98981	1.3
175.02583	0.8
175.52806	0.6
177.00743	1.4
177.02391	1.7
177.06003	0.9
181.00278	0.7
183.01843	2.4
184.03113	0.9
186.04411	6.5
186.09767	71.7
186.99152	0.7
187.00797	0.7
187.04430	1.1
188.02290	1.7
190.03906	10.2
190.05511	1.0
190.07339	0.6
190.98636	23.3
191.02261	2.0
191.04021	5.6
191.05798	1.1
191.07608	2.2
196.02820	1.2
196.04547	0.8
196.08200	2.9
197.06580	4.9
200.03996	1.0
201.00627	0.8
202.05023	0.7
204.05496	2.3
204.10828	21.1
205.00140	0.9
206.03340	0.8
208.04973	4.7
208.99716	23.1
209.02983	0.9
209.11438	1.1
213.53625	1.0
214.03886	46.3
214.05672	3.3
214.07472	2.1
214.09238	45.6
214.12416	8.4
214.14436	1.5
215.07619	5.4
215.09457	0.8
221.05093	0.9
227.00676	1.9
232.05005	26.3
232.10313	90.5
233.08609	3.4
233.10669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
56.96565	41.8
57.03437	6.7
58.99868	0.6
60.04513	0.7
60.95845	1.0
61.02928	26.8
62.48718	0.7
69.03429	6.3
70.06592	79.5
70.99871	1.2
71.04965	0.9
71.06920	5.5
71.56030	1.0
71.95264	2.1
72.08146	1.6
72.96047	2.8
73.02916	15.1
74.97630	0.8
81.03416	2.8
81.92812	0.6
82.01433	0.9
82.99863	1.6
84.08121	1.4
84.96032	4.1
85.02901	14.4
86.03249	0.9
86.03712	1.2
86.09681	0.8
87.04453	1.5
88.02678	1.6
89.00883	1.0
93.01923	1.5
94.34551	0.8
96.02448	0.9
97.02895	10.6
98.01337	0.7
98.97584	100.0
99.04469	1.8
100.02540	2.1
100.99142	6.6
101.00880	12.4
102.02390	1.4
102.96898	2.6
103.00657	1.7
103.02409	1.1
109.01467	0.7
109.02895	1.0
109.53301	0.7
110.01247	0.7
110.97568	5.4
111.02943	1.8
112.02790	0.7
112.07594	3.6
113.00856	3.3
113.02394	1.0
114.96844	1.6
115.00566	1.4
115.02428	4.0
116.07100	2.4
116.98623	47.0
117.02028	0.9
117.02911	0.9
117.07435	1.5
117.28826	0.6
118.03521	1.3
119.00179	2.9
119.01922	14.9
120.03416	3.7
120.97888	0.9
121.01604	3.1
121.03203	0.8
123.02938	0.8
124.00744	2.2
124.01885	0.8
124.52390	0.7
125.02627	0.7
126.03407	1.4
126.97041	1.4
126.98714	1.1
127.02423	1.4
127.03908	4.3
128.02196	0.7
128.52496	0.9
128.98627	5.5
129.03006	0.9
129.03979	1.9
130.01891	0.9
131.00209	0.9
131.01891	9.3
131.02698	1.1
132.97894	1.2
133.01613	1.7
133.03429	9.0
133.04254	1.0
134.99654	13.9
135.03987	1.6
136.00749	1.9
136.01851	0.9
137.02916	2.0
138.05531	0.7
139.02412	1.3
139.04228	1.0
140.00215	1.4
140.03175	1.3
142.01909	0.7
143.01897	9.4
144.03394	0.9
144.05070	1.0
144.98114	4.4
144.99820	1.8
145.01534	2.0
145.02386	3.0
145.03482	5.4
145.04443	0.6
145.05045	0.9
146.99673	4.5
147.01350	1.0
147.03084	1.1
147.05029	1.5
148.01987	1.0
148.03853	2.2
148.04819	1.9
149.01126	1.6
149.02933	1.6
151.04518	2.1
151.52156	0.7
152.03149	0.9
153.00726	1.3
154.01845	7.3
154.02983	3.9
155.01918	3.2
156.03665	1.0
156.05078	0.9
157.01605	1.4
157.03496	1.8
158.99661	1.0
159.01349	1.6
160.02921	1.3
160.06398	2.7
161.02876	10.0
162.54659	0.7
162.99135	4.3
163.02682	3.0
163.04550	1.5
165.00722	4.8
166.02888	1.7
167.01985	0.9
168.01472	2.3
168.03317	1.8
168.99846	2.9
169.03491	1.4
172.02832	10.8
172.04538	2.6
172.97606	2.8
173.02951	6.1
174.98869	1.0
175.03409	6.0
175.04659	1.6
177.00880	1.1
177.02391	5.7
178.07491	1.6
181.00087	1.4
182.03047	2.8
183.01663	0.9
184.04927	2.8
185.03004	3.9
185.04370	0.7
186.02873	1.0
186.04395	8.2
186.54222	0.8
187.00856	2.6
187.02672	1.6
188.02281	2.9
189.02432	0.9
190.03896	13.2
190.05528	1.3
190.07430	0.9
190.98633	6.8
191.02431	1.2
191.04002	4.6
191.05643	1.4
193.00041	1.2
193.03654	0.9
193.05565	2.8
196.02676	0.9
196.04266	1.0
199.00865	1.5
200.04082	7.7
201.02460	1.5
203.04005	3.2
204.05534	1.3
205.00148	0.8
205.01901	1.0
205.04272	1.9
206.03458	1.3
208.04962	6.5
208.99707	9.3
214.03868	58.0
214.07430	5.1
214.10794	1.1
214.12648	4.7
215.00278	4.0
216.71976	0.7
218.05115	1.4
219.03578	1.9
220.03912	0.7
221.05084	5.9
223.04807	1.5
229.01883	2.5
231.03421	0.8
232.04929	35.4
232.08568	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03942	0.7
55.01873	10.6
55.05512	47.7
56.51135	0.4
56.96560	0.7
57.03460	1.2
57.07072	0.8
57.22906	0.5
57.79212	0.4
59.04987	1.3
60.39919	0.4
67.05508	19.7
69.03435	4.3
69.07067	9.8
70.27792	0.7
70.28187	1.3
71.04996	47.6
79.05495	14.0
81.03418	1.0
81.07060	20.8
83.04980	4.6
83.08622	31.1
85.02913	0.6
85.06551	5.4
87.04478	7.4
87.08127	0.4
91.05476	4.4
93.07047	12.0
93.12371	0.5
95.04986	1.0
95.08607	7.6
97.06535	68.5
97.10172	44.3
101.05984	0.9
101.09657	2.0
105.07030	2.0
107.04967	0.9
107.07858	0.9
107.08594	14.7
109.06541	1.8
109.10159	10.9
111.08081	3.5
113.06019	1.1
117.07024	2.7
119.08588	1.0
121.06512	1.4
121.10136	2.9
121.10914	0.4
123.08080	0.7
123.11734	0.9
125.09635	27.7
127.03991	0.4
131.08583	3.1
133.10155	3.3
135.08073	4.0
135.11705	4.7
143.00136	0.7
143.10635	0.7
147.11681	1.4
149.09576	1.1
149.13254	3.5
151.11188	0.7
153.09096	1.3
159.11710	4.0
165.12778	0.7
167.14331	0.7
171.10172	1.6
177.12747	5.9
189.11252	5.2
192.66591	0.5
194.29222	0.4
195.13817	36.0
213.14857	100.0
214.15187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.68201	1.0
53.03939	1.8
55.01878	10.0
55.05512	15.9
56.76690	1.1
56.96569	2.3
57.03439	17.0
57.07064	4.1
65.03929	1.6
65.85178	1.2
67.05508	59.3
67.46767	1.3
69.06734	1.4
69.07076	23.2
70.29522	4.1
70.98125	1.2
71.01362	7.1
71.04993	6.5
71.05318	1.1
71.08650	1.1
72.66243	1.3
73.55385	1.0
79.05495	50.2
81.03417	7.9
81.07059	35.0
83.04988	22.8
83.08620	11.8
85.06554	5.8
88.07626	2.4
91.04974	1.4
91.05488	16.9
93.07052	57.4
94.72889	1.1
95.04956	4.2
95.08621	9.8
97.06533	20.9
97.10171	10.4
99.04451	2.2
99.08096	2.7
105.07034	4.9
107.04938	5.2
107.08601	39.0
109.10184	5.8
111.08089	5.6
117.07036	10.9
119.08582	11.4
121.06524	2.3
121.10144	16.8
125.09647	2.6
129.06984	7.9
131.08559	4.2
133.10138	6.1
135.08109	1.8
135.11699	100.0
137.09648	2.9
143.08591	9.1
145.10135	29.8
145.11279	1.7
149.13261	4.2
153.12749	7.8
157.10107	9.2
159.11665	2.7
163.11211	11.2
165.08223	1.6
167.06946	1.4
171.11694	16.8
181.12257	23.1
185.13258	1.8
189.38860	1.2
191.10089	2.8
195.06700	1.7
195.13860	2.4
208.80544	1.2
213.05644	1.3
213.12886	2.4
213.16418	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	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27858	1.1
53.03938	2.0
54.59205	1.4
55.01860	1.4
55.05513	47.1
56.96546	1.3
57.03425	3.8
57.07073	7.3
57.46137	1.2
63.89811	1.1
67.05179	1.4
67.05515	19.2
69.03410	2.0
69.07074	6.9
69.42735	6.1
70.06577	3.2
71.04978	3.0
79.05500	14.2
81.07063	32.0
82.06570	2.4
83.04991	7.8
83.08144	1.9
83.08620	25.4
84.08129	2.0
85.06538	2.7
88.07642	1.8
91.05499	6.8
91.58125	17.4
93.07050	18.8
95.04953	2.9
95.08615	9.6
97.06584	5.2
97.10130	1.1
98.02734	1.1
98.09724	5.4
98.27804	1.1
98.97593	2.6
99.08078	2.6
100.07617	8.0
100.11264	100.0
100.43235	1.0
105.07051	3.1
107.04944	4.6
107.08608	11.0
107.77929	1.3
109.10165	2.4
110.06047	1.2
111.04449	4.8
111.08112	2.7
112.07581	4.5
113.06017	1.1
113.82867	1.1
117.07013	3.5
117.13883	8.1
119.08571	2.3
121.10143	6.0
125.09675	1.2
126.09186	7.3
127.03932	3.6
128.07106	1.7
128.83995	1.2
131.08568	2.9
133.10124	3.1
135.11684	7.6
135.73903	1.2
139.11145	1.6
140.10719	3.3
141.11494	84.2
141.61656	3.2
143.11794	2.6
146.76465	1.2
149.13260	12.7
151.73836	1.1
154.12262	21.6
155.11249	13.1
155.12494	1.8
159.11670	7.8
163.07567	2.8
167.07051	7.6
171.11664	1.6
172.15707	4.3
177.09218	1.2
177.12762	3.4
177.16385	2.2
182.15416	50.8
183.15866	1.7
188.08630	1.0
195.10176	2.4
195.13858	6.0
199.18062	47.5
204.66512	4.5
209.16502	4.8
210.14938	6.7
213.05550	1.6
213.09236	1.4
213.17822	86.5
213.68018	5.9
225.16034	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03930	3.7
55.01868	5.8
55.05502	22.9
55.36876	2.2
56.96559	4.5
57.03445	14.7
57.07069	5.5
60.95807	2.9
67.05507	70.3
69.07074	33.2
69.07425	4.4
70.68330	6.6
71.04982	8.8
75.90378	2.7
76.06178	2.6
79.05495	41.0
81.03400	3.8
81.07058	100.0
83.04992	12.4
83.08638	18.6
85.06514	5.2
88.07610	9.3
91.05486	21.2
93.07045	74.4
95.04945	7.0
95.08607	25.7
97.06549	16.5
97.10152	6.3
98.97597	4.5
99.04470	3.0
99.08099	4.2
105.07014	10.6
107.04965	3.4
107.08604	32.9
109.10160	3.3
111.08084	10.7
116.98605	3.5
117.07023	15.0
119.08566	7.9
121.06466	4.4
121.10141	24.0
129.06979	5.9
131.08594	11.4
133.10132	13.2
135.08136	4.0
135.11691	25.7
143.08566	5.3
145.10100	5.8
149.09546	2.3
149.13251	48.2
153.09058	2.6
155.08266	2.3
157.10141	6.7
159.11687	19.2
162.72887	2.7
167.07007	3.6
171.11693	9.0
177.12756	10.2
177.18115	2.4
195.13914	15.6
213.09274	2.4
213.12776	6.4
213.16478	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	213.1486
Annotation	MKN-003B
Peak:m/z	Relative Intensity
51.63192	1.4
53.03938	2.8
54.13342	1.5
55.01873	3.8
55.05514	16.4
56.74502	1.5
57.03436	7.1
57.07071	3.4
61.99623	1.5
65.03947	2.3
67.05511	75.6
69.07076	24.0
70.95853	2.5
70.96195	2.4
71.04998	5.9
79.05499	36.9
79.05955	2.0
81.03425	4.1
81.07065	100.0
83.04999	8.6
83.08633	21.4
85.06538	6.4
91.05490	22.6
93.06473	3.2
93.07056	63.7
95.04976	5.7
95.08607	27.1
97.06532	12.8
97.10204	2.9
99.08102	4.3
105.07040	7.5
107.05007	2.3
107.08600	30.9
109.06520	2.9
109.10143	3.4
111.08109	9.4
117.07044	10.2
121.06518	2.8
121.10159	20.3
123.11707	4.1
126.96676	1.5
129.07005	1.9
131.08577	14.0
133.10139	12.3
135.08060	3.1
135.11700	17.0
145.10013	1.6
147.11708	2.0
149.13280	43.2
157.10188	1.9
159.11732	21.7
166.17288	1.4
167.07077	2.2
167.14330	2.4
168.78128	1.6
177.12753	6.5
195.06561	1.9
195.13791	8.1
213.11168	3.5
213.13016	2.0
213.16429	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.27262	1.3
53.03941	3.0
54.49909	1.3
55.01862	4.8
55.05510	15.6
56.96566	3.0
57.03439	19.0
57.07059	4.4
59.65882	1.2
62.79538	1.2
67.05510	63.8
67.05879	3.0
69.03419	2.7
69.06731	1.3
69.07070	19.5
69.97689	5.6
71.01369	7.1
71.05002	10.7
74.15878	1.2
79.05496	53.6
81.03411	8.0
81.07063	33.2
83.04984	19.0
83.08634	7.5
85.02908	3.0
85.06537	7.7
88.07635	3.4
91.05492	18.5
93.07050	60.7
95.04964	4.5
95.08607	9.7
97.06535	21.2
97.10167	9.2
98.21494	1.8
99.04444	2.2
99.08095	3.4
104.85829	1.4
105.07010	5.9
107.04996	3.2
107.08598	35.2
109.06551	1.6
109.10172	7.0
111.04448	1.2
111.08060	4.0
117.06994	7.4
119.08608	12.6
121.06541	2.6
121.10144	17.4
125.05990	1.7
129.07033	2.5
131.08562	1.5
133.10126	6.0
135.08035	2.5
135.11697	100.0
137.09605	2.8
143.08553	3.0
145.10130	20.3
145.23236	1.3
149.13240	2.5
153.12769	2.4
157.10141	4.2
159.11800	1.4
160.07278	1.8
163.11180	14.8
169.10162	2.0
171.11736	3.8
176.08659	3.1
181.12230	24.7
182.09521	2.6
193.60387	1.6
213.12802	2.8
213.16457	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.40946	0.9
53.03936	1.6
55.05267	1.3
55.05516	19.5
55.18753	0.9
57.03437	5.1
57.07079	8.8
67.05508	10.6
69.03417	1.9
69.07072	11.6
71.04984	2.2
71.29845	1.4
79.05500	10.7
81.07066	14.9
83.04983	9.4
83.08614	2.8
85.06551	6.7
88.07619	2.5
91.05476	5.4
93.07049	21.9
95.04951	2.2
95.08614	15.9
97.06543	9.1
97.10184	1.7
99.08105	1.1
99.82443	0.9
102.41889	0.9
103.05432	1.1
105.07029	4.6
107.04959	1.9
107.08605	22.6
109.06520	5.3
109.10162	4.1
111.04449	100.0
111.08077	4.4
113.05978	2.6
117.07047	2.5
119.08575	4.2
121.06512	4.4
121.10159	8.4
123.08067	2.2
125.06002	29.1
127.07563	2.7
129.07014	1.1
130.07755	2.0
131.08586	1.3
133.10152	1.6
135.08055	13.0
135.10692	1.6
135.11700	26.7
137.13278	3.0
139.07559	3.7
143.08536	3.1
145.10138	19.6
149.13281	2.8
153.12755	6.1
157.10133	2.6
163.11194	29.7
171.11642	2.8
181.12248	62.0
194.65146	1.0
195.06461	2.1
195.13832	6.8
204.88437	1.0
205.55858	1.0
213.05560	1.2
213.12859	2.1
213.14839	7.2
213.16699	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03950	6.1
55.01876	7.7
55.05515	34.8
56.96572	33.0
57.03433	12.9
57.07073	13.3
67.05504	71.8
69.07069	37.2
69.67157	31.9
70.06599	6.9
71.04995	18.5
71.38673	4.4
79.05491	59.2
81.03426	5.5
81.07057	100.0
82.92344	4.5
83.04984	17.8
83.08633	27.3
85.06534	7.7
86.53018	5.6
88.07629	16.7
91.05473	31.9
93.07048	70.8
95.04977	8.0
95.08606	31.7
97.06540	22.1
98.97581	10.6
105.07031	20.0
105.55843	5.1
107.04988	6.8
107.08591	44.6
109.10151	9.4
111.04412	5.5
111.08083	10.6
116.98621	5.7
117.07038	15.8
119.08608	10.7
121.06529	8.7
121.10139	29.0
125.09621	6.6
129.07034	24.6
131.08571	27.4
133.10138	15.0
135.08069	6.9
135.11714	20.3
141.06992	7.5
142.07762	8.6
143.08563	32.3
145.10139	10.5
149.13263	52.5
155.08568	7.0
156.09291	6.2
157.10164	29.9
159.11615	23.2
165.07344	8.2
167.07095	8.8
167.08456	7.8
169.10130	19.9
171.08061	6.3
171.11700	30.2
176.58234	5.5
177.12749	14.5
180.09415	7.0
185.13281	14.2
192.59561	8.6
195.06561	11.2
195.11717	27.7
195.13805	17.1
195.15562	6.9
213.11115	6.4
213.12869	54.2
213.16408	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03946	1.1
55.01870	1.0
55.05490	0.9
56.96569	2.8
57.03431	1.3
65.03929	1.2
67.05494	1.2
68.05016	0.4
69.03437	0.9
69.07070	0.9
69.39072	2.9
70.06586	1.5
71.05001	0.9
72.08154	1.2
73.02924	0.4
78.04702	1.7
78.06889	0.4
79.05492	8.1
81.03423	0.9
81.07063	1.6
83.08636	0.5
84.08114	0.6
85.02940	1.7
85.06529	0.6
86.09702	1.4
88.07634	0.7
91.05482	16.5
93.07037	1.4
94.04222	0.4
95.04964	2.4
97.02908	0.8
97.06551	0.5
98.21542	0.7
98.97583	14.4
101.00844	0.5
103.05466	7.1
105.03329	0.4
105.07035	6.3
106.04200	1.9
107.04954	52.5
107.08595	2.1
109.02889	0.7
109.06538	0.5
109.10172	0.4
110.97592	0.7
111.04395	0.5
111.08102	0.4
113.00949	0.5
115.05463	3.3
116.98623	5.4
117.07018	2.0
119.01942	0.7
119.04971	0.4
119.08567	1.7
120.05702	2.2
121.04192	0.5
121.06511	1.0
121.10150	1.0
123.04411	4.5
123.08115	0.4
123.11778	0.5
124.05212	2.1
125.06022	0.9
125.09583	0.4
127.03889	0.5
128.06186	0.3
128.98639	0.6
130.07793	0.4
130.96295	1.0
131.01891	0.6
131.04906	1.9
131.08575	0.8
133.02838	0.4
133.06491	1.3
134.99699	1.7
135.04466	0.5
135.08054	14.5
135.11679	0.5
137.05954	1.2
139.07539	0.5
141.05666	1.0
143.01891	0.6
145.06575	0.4
145.07600	1.8
145.10147	1.7
147.04408	0.8
147.11679	1.9
148.97331	0.7
149.05998	0.7
149.09625	0.8
151.03912	1.6
152.04681	2.1
153.05592	0.4
154.06267	2.5
155.01923	1.8
158.99655	5.7
161.02937	0.9
163.07545	30.0
165.05476	0.8
166.64337	0.4
167.07037	100.0
171.11740	0.4
173.02968	3.5
177.00703	4.4
177.09021	0.6
180.07834	3.5
181.08507	0.5
183.06633	0.5
185.02991	0.4
189.12732	1.4
189.97601	0.4
195.06500	1.0
195.10170	18.8
195.15860	0.5
197.04823	0.4
212.66641	0.7
213.07802	2.1
213.11166	4.6
213.16728	0.7
214.14534	0.5
215.04001	0.7
219.01790	0.5
233.05000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1235
Annotation	Pro-Pro
Peak:m/z	Relative Intensity
50.49616	0.2
55.01857	0.5
55.05513	0.6
56.96566	10.6
57.03439	1.5
58.12016	0.2
60.07318	0.3
60.95850	0.2
61.02930	2.8
68.05049	0.2
69.03429	1.4
69.07063	0.4
70.06593	100.0
70.29456	0.9
70.98131	1.4
71.04990	0.3
71.95264	1.6
72.08152	0.4
72.96042	0.5
73.02914	2.0
81.03413	0.7
82.99847	0.3
83.04965	0.2
84.08146	0.9
84.96028	0.8
85.02898	2.5
85.08361	0.2
86.03226	0.2
86.09710	1.4
88.99130	0.5
89.00774	0.4
90.01555	0.2
97.02865	1.2
98.01326	0.5
98.06058	0.5
98.97586	16.6
99.04453	0.6
100.99182	0.4
101.00872	1.9
101.01987	0.4
102.00959	0.4
104.01325	0.5
109.00509	0.3
109.02876	0.3
109.99239	0.2
110.01294	0.9
110.07166	0.6
110.97562	1.8
111.00316	0.2
112.99152	0.4
113.00881	0.4
115.02421	0.3
116.07093	17.0
116.98627	6.4
118.01026	0.4
118.95221	0.2
119.01885	3.9
119.03053	0.8
120.01994	0.3
121.01568	0.4
124.95487	0.8
124.99105	0.4
127.03899	1.2
128.02322	2.7
128.98598	1.8
131.00189	0.6
131.01920	1.4
132.00748	0.6
132.02036	0.3
133.01637	0.5
133.03448	0.7
134.99669	1.8
137.01889	0.4
137.02867	1.4
137.04085	0.8
138.00713	0.3
140.00156	0.3
141.01248	0.3
142.96501	1.2
143.00169	0.7
143.01878	0.4
144.02028	0.3
144.03564	0.3
145.01698	0.5
145.03488	0.5
146.02299	0.5
146.99684	1.3
147.03128	0.4
149.01208	0.5
149.02930	0.3
153.01308	0.5
153.05769	0.6
154.01846	0.4
155.01801	0.4
156.03598	0.5
157.03464	0.5
158.99658	0.8
160.97626	0.5
161.01166	0.4
161.02948	0.7
162.01822	1.1
162.03038	0.3
162.99268	0.3
163.02534	0.2
165.00719	0.4
168.01843	0.4
169.02516	0.3
170.03352	0.2
170.96088	0.6
170.99615	0.7
171.01355	1.0
172.02777	0.6
172.97604	0.4
173.02992	0.6
174.01759	0.4
174.99110	0.3
177.00706	0.8
177.02246	0.3
183.02275	0.4
183.05078	0.3
184.97546	0.4
186.09808	0.4
188.97118	1.2
189.00821	1.5
189.03580	0.6
190.03827	1.0
190.05533	0.4
190.98602	0.3
191.03996	0.3
201.00671	0.4
204.04755	0.3
205.00130	0.2
205.03752	0.2
206.98109	0.3
207.01752	0.5
208.04898	0.3
208.99580	0.2
213.03403	1.0
213.05342	0.6
213.07874	1.0
213.12344	26.4
214.03796	0.8
214.09219	0.6
215.07719	0.3
217.00290	0.3
219.01830	0.3
231.03510	0.4
231.08931	0.5
232.04955	0.4
232.10286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01864	1.1
56.96557	1.2
57.03438	0.5
63.70067	0.3
69.07043	0.4
70.73367	1.1
77.03913	0.6
78.04699	1.8
79.05065	0.6
79.05493	7.4
81.07039	0.9
82.50762	0.4
84.19408	0.4
91.05482	3.2
93.07021	0.8
95.04955	1.7
98.97546	1.1
103.05476	7.4
105.03391	0.4
105.07041	4.5
106.04164	2.0
107.04957	53.6
107.08575	0.6
115.05477	3.6
117.07011	1.4
119.05006	0.7
120.05731	2.0
121.06496	0.8
122.03664	0.7
123.03716	0.5
123.04455	6.2
124.05230	3.0
125.05979	0.7
131.04912	1.9
132.04381	1.5
132.35637	0.5
133.06531	0.7
135.08049	13.6
137.01750	0.5
137.05984	1.7
139.03879	0.5
145.07599	1.6
147.04396	0.7
148.05170	0.5
149.05991	0.7
151.03926	0.9
152.04729	2.0
154.06250	2.1
163.07550	29.3
165.05461	0.7
167.07042	100.0
180.07845	2.8
181.08591	1.0
187.40248	0.4
188.83656	0.4
195.10173	18.8
213.11244	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03947	0.9
54.91880	0.4
55.01864	0.9
56.99103	0.5
59.38882	0.4
62.20311	0.4
69.32930	3.6
71.65710	0.6
77.03940	0.6
78.04708	2.5
79.05492	6.4
81.07056	0.7
83.61311	0.4
91.05482	3.3
95.04962	1.8
103.05466	7.2
105.07028	4.4
106.04152	1.7
107.04959	54.1
107.08595	0.5
110.03594	0.5
111.08059	0.6
112.86892	0.4
115.05443	3.5
117.07046	1.2
120.05708	2.1
123.04428	5.4
124.05220	3.3
125.06063	0.6
131.04929	1.9
135.08058	14.9
137.05992	1.4
139.03943	1.0
145.07596	1.4
147.04393	0.9
149.05998	0.8
151.03915	1.4
152.04645	2.4
154.06268	1.9
163.07553	30.6
167.07043	100.0
180.07849	2.8
181.08606	0.7
195.08371	1.2
195.10172	21.7
195.15811	0.8
213.11227	4.2
213.16751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.19228	0.7
53.03941	2.6
55.01863	1.9
55.05503	1.8
56.96559	4.7
57.03436	1.2
61.02931	8.9
61.65863	0.6
65.03947	6.7
67.05511	5.4
69.03414	1.2
69.07065	1.5
70.06590	3.1
70.78147	1.0
70.78485	1.6
71.04978	1.6
72.08160	4.9
77.03924	1.3
79.05492	17.7
81.03405	2.0
81.07059	1.9
83.04985	0.9
83.08616	1.2
85.02896	1.9
86.09690	3.3
88.07623	2.4
89.03938	1.0
89.32411	0.8
89.47377	0.7
90.19293	0.8
91.05490	6.2
93.03411	10.0
93.07048	2.3
95.04959	4.6
95.08563	1.2
97.02881	1.4
97.06511	1.8
97.95685	0.8
98.97580	6.8
99.04453	0.8
103.05463	1.3
105.03371	1.9
105.04504	1.1
105.07038	1.1
105.46551	0.8
107.04961	28.2
107.08578	1.9
108.02059	2.2
109.02863	1.7
109.06507	1.6
109.10133	1.0
110.03670	19.8
110.07173	1.6
111.04449	9.9
113.05972	1.2
116.98631	3.3
119.04954	1.6
121.06514	8.9
121.10136	2.4
122.03649	6.4
122.27714	1.0
123.04438	2.0
124.05197	0.9
124.99117	1.2
125.06001	68.9
127.03923	1.0
130.96295	5.9
131.08540	0.8
133.02846	11.2
133.10181	0.9
135.04425	26.1
135.08005	0.8
137.05989	6.8
138.05458	1.6
141.05470	2.2
143.00169	1.4
147.04356	1.4
148.97371	7.4
149.05992	23.0
150.03133	10.7
151.03918	100.0
151.05031	10.1
151.93724	0.9
152.04535	0.9
153.05472	15.4
162.03136	1.8
163.03897	8.3
163.07535	1.0
165.05484	43.6
165.97775	1.0
167.03394	1.2
167.07059	25.4
167.10735	1.2
170.11761	1.7
177.05478	21.4
189.97635	3.5
190.03854	0.8
195.06540	20.3
195.08273	1.8
195.10152	2.3
195.13760	1.0
201.04158	1.0
207.06538	1.3
207.98727	1.6
213.05576	2.0
213.07562	12.7
219.01875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02380	0.8
53.03947	2.0
55.01874	1.8
56.40649	0.9
56.96563	3.0
61.02929	10.7
64.29147	1.1
65.03948	7.3
67.05511	3.4
69.07086	1.2
69.84161	4.8
70.06587	3.4
72.08156	6.6
74.64431	0.8
77.03915	1.1
79.05494	18.5
81.07076	2.4
85.02910	1.3
86.09712	9.1
91.05490	6.5
93.03409	12.4
93.07027	1.8
95.04955	3.4
95.08601	1.1
97.02920	1.4
98.21452	1.8
98.97616	4.4
105.03395	1.1
105.04563	1.6
107.04957	28.5
107.08598	1.5
108.02100	2.8
108.08146	1.2
109.06510	2.4
110.02894	1.2
110.03667	23.7
110.07167	1.2
111.04457	8.6
116.98601	1.4
117.03391	1.7
121.06524	11.0
122.03619	5.0
123.04474	2.3
125.05996	74.8
127.03889	0.9
127.47365	0.9
128.98582	1.5
130.96349	2.9
133.02850	13.5
133.78502	0.8
135.04419	30.0
135.11705	1.1
137.05992	5.7
141.05447	3.9
148.97374	3.1
149.05983	23.8
149.09682	1.1
150.03119	14.1
151.03917	100.0
151.05029	11.0
153.05475	16.0
162.03105	1.5
163.03946	8.7
165.05482	42.0
165.06886	2.2
167.03429	1.7
167.07036	24.3
170.99786	1.0
177.05478	25.0
185.16531	1.0
189.97635	2.4
195.06531	23.8
195.08255	1.7
213.07574	13.4
213.12260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	5.0
55.01867	5.6
55.05514	45.7
56.96568	11.8
57.03439	21.3
57.07066	4.7
58.79370	1.6
59.04993	4.8
63.91125	1.2
65.03926	2.9
67.05507	64.4
69.03436	17.0
69.07071	26.4
71.04991	9.0
71.08622	2.0
73.46785	1.5
75.84873	1.1
79.05497	35.0
79.05959	1.9
80.13659	1.1
81.03423	81.0
81.07061	61.0
83.04987	53.4
83.08622	39.7
84.96036	2.9
85.02903	1.7
85.06544	6.5
91.05486	34.4
93.06468	2.3
93.07047	33.1
94.03083	1.2
95.04976	35.1
95.08611	60.8
97.02898	3.2
97.06547	10.0
97.10178	8.4
97.99184	4.4
99.04459	1.5
99.08095	6.4
105.06311	1.2
105.07036	28.4
107.04970	7.2
107.08597	35.4
109.06529	17.6
109.10160	100.0
111.04436	3.3
111.08086	17.4
111.11690	2.1
113.06038	3.3
113.09683	2.0
115.05415	1.9
115.07545	1.9
117.06998	2.6
119.08585	41.3
119.39610	1.2
121.06545	2.7
121.10147	23.3
123.04408	2.4
123.08083	22.3
123.11702	13.8
125.09632	11.1
127.07500	1.6
127.11192	1.5
129.07018	9.9
131.08572	14.4
133.06473	3.2
133.10138	33.5
135.11702	62.2
137.09624	23.4
137.13298	1.8
139.11203	6.5
140.16016	1.2
142.07797	1.7
145.10110	2.4
147.08067	4.4
147.11703	22.4
149.09660	9.8
149.13252	6.2
151.07594	1.6
151.11203	13.6
151.14795	10.9
153.12775	3.3
154.67918	1.2
157.10146	15.7
163.14821	2.0
165.12744	6.4
165.16408	3.3
167.07011	4.0
167.10672	8.7
169.12209	1.8
175.11201	17.8
175.14824	26.5
179.07034	3.8
193.12254	39.9
193.15883	25.7
205.73027	1.6
211.09653	1.3
211.13307	23.8
211.16861	17.8
219.99738	1.3
229.07433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03946	6.3
55.01874	6.7
55.05512	44.0
56.96563	3.5
57.03440	12.5
59.05005	2.4
62.65018	1.0
67.02941	1.1
67.05505	28.5
69.03432	12.1
69.07072	10.7
69.53272	7.5
71.01356	2.5
71.04990	5.4
72.17109	1.3
74.04082	1.0
74.81361	1.2
79.05494	34.7
81.03419	100.0
81.07059	37.2
83.04984	47.2
83.08144	2.2
83.08622	35.5
84.08137	1.2
85.00919	1.1
85.02880	2.3
85.06544	2.2
86.23516	1.3
91.05484	37.1
93.07043	20.5
95.04973	36.3
95.08612	13.1
97.02894	4.8
97.06542	5.1
97.10184	9.2
97.99168	2.3
99.04500	1.4
99.08093	1.5
105.07034	27.1
107.04938	7.5
107.08609	9.5
109.06528	9.0
109.10170	5.0
110.13127	1.2
111.04439	3.8
111.08083	13.9
113.05984	1.6
115.05483	1.9
117.07030	2.3
119.08578	20.5
121.06496	2.3
121.10143	9.0
123.04424	1.8
123.08066	4.0
123.11739	2.0
125.09654	2.4
127.07543	1.3
129.07018	12.4
131.08574	14.2
133.06474	3.7
133.10114	14.7
137.09618	3.0
142.07790	2.3
145.10136	2.0
147.08072	4.0
147.11703	18.5
149.09663	9.4
157.10123	19.1
165.12738	2.5
167.07021	3.3
167.10733	2.5
175.11211	22.8
179.07019	2.1
187.04608	1.2
193.12245	59.7
211.13289	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50823	0.8
53.03939	2.0
54.28644	0.8
55.01864	3.2
55.05512	26.4
56.04055	0.6
56.05830	1.4
56.96566	11.5
57.03435	20.3
57.07087	5.5
58.75458	0.6
59.04998	3.2
65.03905	1.6
67.05508	41.5
69.03432	11.1
69.06723	1.3
69.07072	20.2
70.06596	1.4
71.04987	7.6
71.08627	1.1
71.15472	1.8
71.55312	0.7
79.05494	18.5
79.05954	1.1
80.68166	0.8
81.03421	26.2
81.07059	42.2
83.04986	27.8
83.08624	22.0
84.96046	2.7
85.02904	1.6
85.06551	6.8
91.05484	19.3
93.07049	25.5
95.04977	17.8
95.08610	58.8
97.02884	2.2
97.06536	8.3
97.10153	4.1
97.99207	5.5
98.97578	1.3
99.04439	1.0
99.08101	6.4
101.06002	1.4
103.05476	1.2
105.07034	19.4
107.04962	3.0
107.08598	31.4
109.02854	1.2
109.06526	14.8
109.10160	100.0
110.10500	1.0
111.04440	2.2
111.08099	8.5
112.04766	1.0
113.06056	1.7
113.09635	1.7
114.93554	0.6
115.05492	0.9
115.07566	2.1
116.00257	1.8
117.07002	2.1
119.04976	0.9
119.08591	32.7
120.14666	0.8
121.06495	1.8
121.10149	19.8
123.04432	2.8
123.08071	20.7
123.11710	11.4
125.09621	9.9
127.07512	0.7
127.11227	2.2
129.06969	4.0
131.08575	6.5
133.06512	1.8
133.10143	23.7
135.08092	1.4
135.11697	61.4
137.05940	0.9
137.09625	21.3
137.13268	1.4
138.10393	1.1
139.11180	7.7
142.07793	1.7
145.10149	1.0
147.08040	2.3
147.11682	11.7
149.09665	6.5
149.13228	6.1
151.03978	0.8
151.07567	2.5
151.11200	11.0
151.14809	11.6
153.12741	4.4
155.08577	0.9
157.10112	5.7
163.14830	3.5
165.09048	1.1
165.12772	3.0
165.16441	3.1
167.07048	7.7
167.10684	15.5
169.12233	1.1
175.11195	7.8
175.14830	23.9
179.07027	5.8
181.08669	1.4
181.15871	0.9
183.06584	0.9
183.15727	5.8
193.08621	2.1
193.12244	16.6
193.15897	26.6
211.05852	1.1
211.07603	2.2
211.09604	1.8
211.13367	10.1
211.15132	3.2
211.16891	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03943	2.6
55.01627	1.8
55.01876	19.8
55.05272	1.4
55.05515	21.6
56.96568	2.8
57.03449	5.9
57.07066	1.5
65.03933	2.4
67.05184	2.4
67.05511	39.8
69.03416	3.5
69.06718	1.5
69.07073	19.3
70.04841	5.1
71.04984	4.1
79.05492	25.7
81.03422	17.6
81.07061	100.0
83.04977	15.1
83.08622	13.5
83.72788	1.1
85.06537	6.3
91.05488	41.9
93.07047	18.9
95.04974	11.8
95.08047	2.4
95.08608	22.4
97.02908	2.0
97.06540	9.3
97.10124	1.9
97.99181	2.5
99.08102	2.6
105.07037	39.3
107.04963	2.0
107.08590	18.1
109.06514	7.2
109.10112	2.6
111.08097	2.9
113.06058	1.5
119.08585	37.4
121.10162	23.2
123.08082	6.7
123.11716	32.6
127.07528	2.6
129.07002	7.3
131.08586	4.8
131.61935	1.3
133.06456	2.0
133.10133	17.9
135.08081	1.5
137.13237	2.3
142.07787	1.6
145.10139	1.3
147.08020	2.3
147.11696	65.8
149.09610	3.1
151.11182	2.6
157.10127	10.9
160.36955	1.1
165.12776	13.1
170.20747	1.2
175.11192	12.0
192.85957	1.3
193.12242	16.3
209.62193	1.3
211.13260	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	4.9
55.01875	6.5
55.05513	38.7
56.96568	8.6
57.03437	12.2
59.04988	2.4
63.46699	1.0
65.03942	2.5
67.05176	1.9
67.05507	31.0
69.03423	9.6
69.07068	13.5
70.53955	3.5
71.04989	5.3
77.03912	1.4
78.27152	1.2
79.05492	37.6
81.03419	100.0
81.07059	37.8
83.04982	50.8
83.08619	36.4
84.96055	1.5
85.02890	1.8
85.06528	3.4
91.04906	1.3
91.05480	32.8
93.07044	19.3
95.04967	33.8
95.08604	15.1
97.02890	4.6
97.06542	8.3
97.10179	8.7
97.99173	4.1
99.08110	2.5
105.07043	27.9
107.04962	8.1
107.08601	10.0
109.06528	6.5
109.10154	4.2
111.04468	2.7
111.08085	15.8
113.06024	1.7
115.00581	1.1
115.05472	1.4
117.07003	2.0
119.04914	1.7
119.08577	22.2
121.06455	1.9
121.10158	9.1
123.04455	1.3
123.08055	4.7
123.11720	1.5
125.09618	4.8
129.07011	10.5
131.08575	13.5
133.06482	3.3
133.10156	11.2
135.11684	1.2
137.09627	3.9
139.11172	2.1
142.07762	3.5
143.61482	1.2
147.08032	4.8
147.11682	21.6
149.09622	8.6
151.11211	1.5
157.10136	15.2
165.12753	5.0
167.07082	3.0
167.10690	2.4
175.11205	22.1
179.07027	2.3
193.12250	57.2
193.87407	1.3
211.13278	27.7
217.31717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03941	5.7
55.01876	7.3
55.05512	33.7
56.96571	17.8
57.03432	8.2
57.07090	1.5
65.03948	1.3
67.05507	33.7
69.03436	9.6
69.07066	14.6
69.30325	6.3
69.30747	5.4
71.04999	6.7
79.05496	34.8
81.03419	100.0
81.07059	42.9
83.04982	47.9
83.08622	37.7
84.96021	2.7
85.06535	2.5
86.23732	1.5
91.05483	37.9
93.07041	19.5
95.04970	40.8
95.08609	16.8
97.02878	2.8
97.06544	4.8
97.10165	9.8
97.99172	3.9
98.97573	1.9
99.08083	3.4
105.07037	27.4
107.04973	6.6
107.08614	10.1
109.06516	8.6
109.10183	5.1
111.04441	4.4
111.08088	14.2
116.00229	3.4
117.07027	2.3
119.08587	22.5
121.06466	2.4
121.10142	9.7
123.08075	4.3
123.11722	2.8
125.09631	2.1
129.07002	12.3
131.08591	13.1
133.06519	3.3
133.10141	15.6
137.09610	2.9
138.60513	1.4
145.10156	3.0
147.08055	4.1
147.11684	20.2
147.19820	1.2
149.09634	9.3
151.11192	4.6
157.10152	16.6
165.12790	4.6
169.10123	2.8
175.11182	23.1
193.12242	63.9
199.09930	1.6
211.13232	30.4
211.14923	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.13903	1.2
53.03937	4.8
55.01868	4.2
55.05515	37.5
57.03433	8.8
59.04983	1.2
66.51081	0.9
67.05505	29.8
69.03426	9.1
69.07072	11.6
70.53942	3.2
71.04985	3.3
79.05496	33.2
81.03422	100.0
81.07060	35.4
83.04983	52.2
83.08624	31.1
85.06535	3.0
85.82080	1.1
91.05485	31.7
93.07051	17.3
95.04366	1.9
95.04973	35.0
95.08605	11.3
97.02884	3.6
97.06532	5.6
97.10178	8.1
99.08113	2.2
105.07030	22.2
107.04957	5.0
107.08598	8.5
109.06510	4.9
109.10163	3.3
111.04438	2.8
111.08078	18.2
115.05463	2.1
117.07081	1.1
119.08586	21.4
121.06530	1.1
121.10146	10.2
123.08056	2.7
125.09634	1.9
127.07574	1.3
129.07021	14.1
131.08575	13.5
133.06512	2.8
133.10147	12.6
137.09618	2.5
142.07715	2.6
145.10162	1.7
147.08066	4.4
147.11702	15.8
149.09648	6.8
157.10139	18.5
163.11116	1.4
164.96909	1.0
165.12756	5.7
175.11203	23.0
178.87489	1.0
193.12248	63.7
203.27585	1.1
211.13289	32.1
211.15283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03939	1.5
54.45121	0.7
55.01864	1.6
55.05509	3.7
56.96567	2.9
57.03427	2.0
57.12663	0.5
57.92346	0.5
58.03096	0.6
65.03945	1.4
67.05215	0.7
67.05511	6.8
68.99789	0.9
69.03442	1.4
69.07063	1.8
70.20809	1.0
70.21189	0.8
71.04977	0.8
75.48209	0.7
77.03931	0.8
79.05499	9.2
81.03421	7.0
81.07065	5.8
83.04980	5.6
83.08624	3.4
84.96056	1.0
85.02897	1.3
85.06547	1.1
86.09693	0.8
86.61485	0.5
91.05483	11.1
93.07059	4.2
95.04973	10.1
95.08614	4.3
97.02891	0.8
97.06537	2.2
97.99181	1.6
99.08116	0.6
103.05464	5.5
105.03378	0.9
105.07036	17.3
107.04962	3.4
107.08597	2.5
108.05717	1.2
109.02882	1.6
109.06540	2.9
109.10143	2.4
110.03672	1.5
111.04484	1.4
111.08119	1.4
115.05479	1.2
118.04158	4.1
119.04942	8.3
119.08603	4.0
120.05721	1.5
121.02877	1.5
121.03949	0.5
121.06489	3.6
121.10139	1.3
123.04434	45.7
123.08060	5.6
123.11667	1.0
125.09631	1.3
128.49095	0.7
129.06966	1.0
131.04927	0.7
131.08569	1.6
133.06493	11.6
133.10127	3.4
135.04425	2.1
135.08087	2.5
135.11684	1.2
137.05971	4.5
137.09619	1.6
146.03592	0.8
147.04433	5.1
147.11719	2.1
148.05228	0.9
149.05978	4.3
150.06787	5.2
151.03911	3.6
151.07545	29.3
157.10146	1.2
161.05980	2.0
161.07164	1.5
165.05447	0.7
165.06956	0.6
165.09096	5.8
165.12758	0.6
167.07042	9.5
175.11208	1.8
175.14940	0.8
178.06267	1.0
179.07045	100.0
180.07568	1.2
181.08597	2.1
183.06670	0.7
193.08618	20.2
193.12215	4.7
193.15872	0.7
211.07706	0.9
211.09653	18.3
211.12982	2.7
211.16847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08969	8.5
59.87211	7.4
70.03674	15.4
70.04070	20.4
75.81725	7.7
94.93032	14.7
98.20815	7.8
112.89632	100.0
120.94514	12.5
158.74570	8.8
164.93628	9.0
202.23972	8.7
210.94141	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.096
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.75780	1.2
51.83526	1.1
52.31179	1.2
53.03944	4.4
55.01880	10.0
55.05265	2.1
55.05514	32.2
56.11853	1.2
56.96568	14.9
57.03191	1.1
57.03442	12.8
57.07066	3.4
59.04997	3.6
65.03941	3.4
66.04720	1.5
67.05508	41.9
69.03431	13.9
69.07070	18.1
70.06577	2.7
70.21318	4.1
71.01346	1.2
71.04997	13.3
71.08611	1.5
73.02916	1.8
77.03944	1.5
78.04723	1.3
79.05495	40.5
80.06266	1.2
81.03421	72.4
81.07060	49.3
83.01373	1.8
83.04983	38.9
83.08620	30.1
84.96022	2.7
85.02912	6.9
85.06536	6.4
87.04488	1.4
91.05486	42.9
92.06276	1.5
93.07048	29.4
94.06529	1.2
94.68745	1.2
95.04973	38.8
95.08612	38.6
97.02879	8.6
97.06536	9.3
97.10183	9.6
97.99191	4.0
98.97578	4.5
99.04460	3.5
99.08092	4.8
103.05482	10.6
104.06273	1.2
105.03428	1.9
105.07036	54.4
106.04158	1.3
107.04970	9.6
107.08598	22.5
108.05738	3.2
109.02886	4.0
109.06516	14.4
109.10160	22.2
110.03671	2.6
111.04454	4.6
111.08089	16.8
111.11703	1.8
113.05991	1.9
115.05467	3.5
116.00260	2.8
117.07026	2.6
118.04150	12.5
119.04960	11.4
119.08590	33.0
120.05746	2.5
121.06509	8.3
121.10159	13.7
122.07267	2.7
123.04436	39.8
123.08062	14.5
123.11732	12.1
124.05188	2.6
125.05981	2.9
125.09612	5.8
127.03869	1.5
127.07563	1.5
128.06174	1.1
129.07011	7.3
131.08572	10.6
132.05693	1.5
132.59425	1.1
133.02834	1.2
133.06499	30.2
133.10133	18.6
134.07291	1.4
135.04460	5.0
135.08041	4.0
135.11700	18.6
136.05179	1.3
137.05984	9.9
137.09631	12.7
141.09113	1.6
142.07738	1.9
142.08698	2.8
145.10126	1.8
146.03635	3.7
146.99660	1.6
147.04448	7.4
147.08046	4.2
147.11688	17.6
149.01233	1.6
149.05977	9.6
149.09657	6.7
149.13271	3.9
150.06770	14.7
151.03934	5.0
151.06422	2.4
151.07552	31.6
151.11208	3.4
151.14795	2.9
153.12802	2.0
157.10155	12.4
158.99586	1.1
161.05995	4.5
163.11211	2.1
163.14749	5.5
165.05414	1.3
165.09125	18.1
165.12791	4.7
165.16338	1.9
166.12238	2.0
167.07057	28.5
167.10712	1.2
168.17468	1.1
169.05103	1.5
170.05772	2.0
175.11192	18.1
175.14819	11.0
179.07047	100.0
180.07684	1.3
181.08665	2.7
183.06563	3.0
193.08615	52.8
193.12248	42.0
193.15907	7.3
211.07724	2.0
211.09666	28.1
211.13219	20.1
211.16934	16.6
212.12840	4.8
221.57317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	6.9
55.05516	14.3
57.03431	2.0
57.07067	2.5
59.04986	2.1
67.05504	16.1
69.03435	11.5
69.07072	15.4
69.07417	2.0
70.95653	2.7
71.05006	7.5
75.27821	1.4
75.90587	1.1
79.05498	18.8
81.03408	4.8
81.07064	22.0
83.04981	17.8
83.08627	10.2
85.02888	1.4
91.05488	11.6
93.03406	1.3
93.07044	26.2
93.23001	1.1
95.04970	11.6
95.08612	38.6
95.32265	1.1
95.42984	1.3
97.02882	2.9
97.06537	8.8
99.04447	1.8
99.08076	4.4
100.30977	1.4
103.05428	1.9
105.07025	13.4
106.04173	2.8
107.04973	7.0
107.08601	51.9
109.06516	12.0
109.10154	16.3
111.04448	1.7
111.08073	4.1
117.07009	5.6
119.08591	10.2
121.06519	10.7
121.10146	41.2
123.08071	8.0
123.11720	6.5
125.05993	1.4
125.09639	15.0
131.08569	6.3
133.10146	17.2
135.08054	14.2
135.11691	19.9
136.08896	1.5
137.09593	4.8
139.07542	2.2
139.11234	6.1
145.10143	12.9
147.08086	2.1
147.11694	7.3
149.05991	4.9
149.09625	15.4
149.13274	19.5
151.11189	100.0
153.09088	2.2
158.10919	2.2
160.30385	1.3
163.11176	14.7
163.14809	10.2
165.12779	10.9
167.14340	1.9
173.13264	16.7
177.05450	2.0
191.10674	2.2
191.14316	43.9
209.08101	3.1
209.11684	3.1
209.15337	17.7
218.24335	1.1
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
52.71032	0.4
53.03911	0.3
55.01863	1.0
55.05512	1.0
57.06870	0.3
57.07082	4.0
59.05009	0.4
67.05511	3.4
69.03418	0.7
69.07062	1.4
70.14022	1.3
71.05006	2.3
79.05499	3.6
81.03416	0.6
81.07058	4.2
83.04990	1.2
83.08622	0.8
85.06547	0.9
91.05483	2.1
93.07050	4.0
95.04978	3.1
95.08607	5.0
97.02868	0.5
97.06525	1.0
105.07041	3.5
107.08585	4.7
109.06524	100.0
109.10160	10.7
110.06802	0.4
111.08093	1.0
117.07012	1.2
119.08581	1.6
121.06498	1.2
121.10147	2.9
123.08076	9.4
125.09644	0.4
131.08580	5.9
133.06526	0.5
133.10152	2.8
135.08064	25.5
135.11717	0.6
139.11159	0.4
145.10143	1.6
147.08040	0.5
147.11694	0.9
148.08852	0.9
149.09648	2.8
149.13292	1.1
150.10422	1.4
151.11201	1.5
153.09137	3.2
158.10930	1.2
161.09610	0.4
163.11229	0.9
163.14899	0.7
171.74239	0.4
173.13275	6.2
177.05377	0.4
182.34172	0.4
191.14316	23.5
209.08080	0.4
209.11732	0.4
209.15381	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	4.4
55.01858	7.1
55.02102	2.0
55.05515	98.1
56.96558	5.8
57.03421	3.7
57.07060	2.8
59.04990	5.9
67.05503	16.7
69.03426	7.4
69.07069	10.8
69.41341	1.9
69.46445	13.9
71.04982	5.6
75.21528	1.8
79.05503	14.2
81.03419	2.8
81.07062	32.5
83.04986	94.3
83.08624	58.2
84.08144	3.3
85.02941	2.2
85.06541	7.3
87.04409	2.0
91.05477	12.1
92.64260	1.8
93.07059	18.7
95.04977	46.1
95.08625	11.5
97.06541	21.5
97.10166	8.2
98.97578	4.2
99.04464	9.0
99.08090	3.4
100.99106	2.2
103.05470	3.1
105.07043	11.7
107.04948	3.3
107.08611	31.2
109.06524	55.1
109.10162	40.7
111.04463	3.5
111.08080	14.3
113.06004	2.0
113.09637	3.8
119.00199	3.9
119.08578	6.1
120.89252	1.8
121.06531	9.4
121.10139	20.2
123.08067	4.2
123.11700	16.4
125.09641	16.9
131.08594	13.6
133.10135	43.6
134.01286	2.6
135.08064	7.4
135.11702	2.4
136.84886	2.0
137.09615	3.0
145.10112	4.9
147.11681	2.5
149.02402	2.5
149.05991	4.4
149.13303	13.4
151.09959	3.6
151.11188	68.6
153.09117	23.5
158.99661	3.0
163.11162	3.9
163.14825	4.1
167.14323	100.0
173.09818	2.5
173.13298	15.7
177.05510	3.2
188.07005	2.1
190.72372	1.6
191.10599	2.2
191.14337	16.3
193.04977	7.0
197.07529	2.1
209.08040	3.1
209.11731	6.1
209.15384	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.18290	0.7
53.03949	2.6
55.01868	3.8
55.05508	6.5
56.96569	1.6
57.03442	1.5
57.07073	2.4
65.03916	0.7
67.05508	6.2
69.03431	11.2
69.07065	5.9
69.72650	4.3
71.04992	1.6
73.88976	0.7
79.05498	5.4
81.03416	10.0
81.03857	0.9
81.07058	11.7
83.04971	8.5
83.08631	2.6
85.02900	0.8
87.08121	1.1
90.77409	0.6
91.05485	6.6
93.03419	0.7
93.07050	8.6
95.04977	13.8
95.08604	12.1
97.02889	1.1
97.06527	2.6
97.10167	0.7
98.97580	1.6
99.04453	1.1
99.08070	1.5
103.05470	1.8
105.07027	6.3
107.04979	1.4
107.08601	13.5
109.02825	0.7
109.06520	14.3
109.10175	4.0
111.04454	2.1
111.08113	1.9
117.07023	1.9
119.08583	7.6
121.06514	8.0
121.10149	15.0
122.07278	0.7
123.08072	12.3
123.11723	9.3
123.83563	0.7
125.05956	1.0
125.09643	1.5
131.08574	2.6
133.10146	3.8
135.08055	4.4
135.11719	2.9
137.09613	3.2
137.13278	2.3
145.02895	1.0
145.10118	3.0
147.11684	4.5
149.02641	0.6
149.05969	6.2
149.09625	10.9
149.13264	8.7
151.11200	7.2
153.09140	2.7
163.07558	1.8
163.11241	2.4
163.14809	1.7
165.12758	100.0
167.14381	1.8
173.13300	3.2
177.05508	2.4
181.12152	0.7
191.10664	1.0
191.14261	4.9
197.05862	1.0
209.04347	1.0
209.08040	2.9
209.11777	1.8
209.15372	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
54.05427	1.5
55.01859	4.8
55.05512	13.9
57.03414	6.2
57.07062	5.1
59.04989	6.1
60.76722	1.5
65.03920	1.7
67.05205	1.5
67.05502	14.4
68.99778	3.0
69.03431	8.8
69.07063	16.6
71.00676	2.3
71.01011	2.5
71.04978	4.6
73.28708	1.4
78.69031	1.4
79.05498	11.3
81.03408	3.3
81.06599	1.5
81.07059	29.4
83.04552	1.8
83.04987	19.8
83.08641	9.2
85.02902	1.7
85.06549	7.5
91.05481	13.9
93.07043	33.5
95.04967	8.3
95.08601	26.0
97.06542	9.7
97.10138	1.8
99.08101	24.3
103.05451	1.9
105.07027	17.2
106.04154	2.7
107.04956	7.7
107.08597	57.1
109.06538	13.8
109.10161	24.9
111.04440	3.4
111.08095	10.0
115.05372	1.7
117.07045	2.8
119.08551	7.0
121.06519	21.8
121.10144	45.9
123.08078	21.8
123.11728	7.7
125.06050	8.4
125.06808	2.1
125.09627	11.2
129.06996	2.1
131.08571	16.3
133.10123	25.3
135.08054	19.8
135.11646	7.7
136.95409	1.4
137.09622	9.6
139.07544	6.2
139.11180	4.2
145.10168	7.6
147.11694	8.3
149.05966	3.6
149.09622	100.0
149.13252	24.8
151.11174	44.6
151.78654	1.4
153.09132	14.5
154.09937	2.5
154.72246	1.4
158.10916	3.2
163.11211	3.5
163.14813	20.3
167.14363	1.5
171.11548	1.9
173.13264	24.5
177.05464	2.9
191.14297	42.1
191.65988	1.8
198.07729	1.7
209.07994	2.9
209.12250	2.0
209.15369	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.45150	1.7
53.03940	3.4
55.01875	1.9
55.05513	41.9
55.24648	1.8
57.07064	5.9
59.04992	2.0
67.05514	16.6
69.03415	5.6
69.07062	6.5
71.04980	6.8
79.05498	9.9
81.07061	23.1
83.04984	78.0
83.08617	21.2
85.06516	4.3
91.05477	7.8
93.07050	15.8
95.04971	38.4
95.08610	22.5
97.06532	15.8
97.10157	2.9
98.00791	1.7
98.20815	4.6
99.04458	5.4
99.51448	1.8
105.07041	12.0
107.08603	30.5
109.06523	100.0
109.10151	28.9
111.08096	8.3
113.09624	3.1
116.36768	1.9
119.08562	5.4
121.06496	2.4
121.10143	19.2
123.08073	12.0
123.11682	6.8
125.09622	9.6
131.08577	14.2
133.10132	27.7
135.08051	21.0
135.11653	2.1
145.10132	5.9
147.00298	1.9
147.11705	4.0
149.09647	4.0
149.13272	13.0
151.11186	23.6
153.09140	16.4
158.10834	2.2
158.16844	1.7
160.73576	1.8
163.14809	5.2
164.34218	1.7
167.14314	32.6
173.13260	18.9
191.14304	28.3
209.08031	3.3
209.15370	40.9
213.16667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.76985	0.9
53.03955	1.8
55.01883	5.1
55.05520	7.7
55.59563	1.2
56.96571	1.7
57.03443	9.1
57.07072	3.3
59.05001	1.6
65.03923	1.7
67.05507	9.7
69.03428	10.1
69.07069	14.7
70.71240	2.5
71.04993	9.8
71.48369	1.2
79.05497	11.5
81.03406	3.3
81.07059	17.4
83.04987	15.1
83.08625	6.0
85.06540	1.8
91.05495	11.0
93.03380	1.1
93.07048	21.5
94.71161	1.1
95.04967	8.7
95.08613	29.6
97.02872	1.2
97.06537	8.2
99.04448	2.6
99.08086	5.1
103.05518	2.0
105.07024	9.8
106.04185	3.3
107.04971	3.4
107.08604	38.9
109.06517	11.5
109.10168	12.3
111.08083	3.2
113.09616	1.4
117.07047	4.4
119.08602	9.6
121.06522	9.8
121.10152	35.7
123.04419	1.6
123.08089	5.7
123.11741	3.5
125.05970	1.4
125.09626	13.1
131.04950	1.9
131.08557	8.5
133.10149	16.4
135.08084	13.8
135.11707	11.3
137.09653	7.8
139.07532	1.9
139.11160	5.1
143.08565	1.7
145.10139	12.0
147.08028	1.2
147.11700	8.8
149.05992	6.3
149.09612	12.3
149.13260	17.3
149.29620	1.0
151.11191	100.0
153.09096	2.6
158.10887	2.7
163.11206	6.9
163.14844	11.4
165.09135	2.2
165.12767	8.6
167.10689	1.3
167.14294	1.8
173.09637	1.2
173.13293	15.2
173.25166	1.2
177.05487	4.2
191.06941	2.7
191.10640	3.2
191.14316	42.2
201.05893	1.3
201.29689	1.0
209.08029	3.0
209.09903	1.4
209.11707	5.7
209.15300	14.2
214.82608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	3.2
55.01861	5.7
55.05513	98.6
56.13060	1.4
56.96560	5.4
57.03439	3.9
57.07070	3.3
59.04998	6.6
60.04515	3.6
63.46313	1.5
65.03922	1.5
67.05508	14.1
69.03435	11.8
69.07075	10.5
71.04987	4.8
71.07948	3.7
73.02916	2.9
74.96329	1.3
79.05482	7.9
81.07058	23.5
83.04985	89.6
83.08621	54.4
84.08145	11.1
85.06528	5.0
85.08454	2.3
91.05508	7.1
93.07053	15.3
93.51222	1.4
95.04971	17.8
95.08606	14.0
97.06532	15.4
97.10185	10.0
98.09722	1.4
98.97598	2.3
99.04454	3.1
99.08098	3.5
105.03388	2.7
105.07045	9.3
107.08600	28.9
109.06520	38.0
109.10159	35.4
109.10714	0.8
111.04466	2.3
111.08073	17.3
111.10523	1.7
113.09659	2.4
117.07056	1.5
119.08597	3.2
121.06535	3.8
121.10155	16.6
123.08081	6.1
123.11702	14.1
124.99133	1.8
125.09626	17.9
130.61404	2.2
131.08530	7.0
133.10132	21.0
135.08087	6.1
135.11685	1.6
137.05984	2.5
137.09698	1.5
139.61935	4.2
143.00079	2.3
145.10187	2.4
147.11621	3.8
148.12184	2.0
148.62430	5.5
149.05980	5.6
149.09618	6.2
149.13239	10.1
150.12036	4.7
151.11189	65.6
153.09085	13.3
155.01984	1.8
157.62994	3.3
163.11237	1.6
163.14841	3.6
165.99089	1.7
167.14322	100.0
169.63019	3.7
173.13292	9.6
174.28279	1.4
177.05440	4.0
178.63432	4.8
186.13048	4.4
187.64005	7.5
191.14349	13.6
208.64612	9.2
209.08076	4.8
209.11845	1.8
209.15373	52.0
213.95300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.60448	0.8
51.02373	0.9
53.03948	7.0
55.01631	1.6
55.01871	20.7
55.05511	44.1
56.20779	1.1
56.96555	1.5
57.03191	0.8
57.03439	9.5
57.07082	4.5
57.93852	0.8
59.04999	1.3
65.03930	4.4
66.07484	0.9
67.05508	54.8
69.03437	5.7
69.07070	23.9
69.98896	0.7
70.07384	1.0
70.61610	2.8
71.01329	3.0
71.04991	8.7
71.08606	1.6
73.02908	4.1
75.04452	1.2
77.00892	1.1
78.00986	1.0
78.59666	0.9
79.00642	0.8
79.05493	72.5
81.03420	12.9
81.07057	56.9
83.01317	1.4
83.04981	20.8
83.08138	1.5
83.08616	22.0
85.02878	2.3
85.06517	2.5
91.05486	30.0
93.03394	2.4
93.07044	100.0
95.04971	23.2
95.08607	99.1
96.08952	0.9
97.02283	1.1
97.02897	15.4
97.06538	10.2
97.10161	2.6
99.04462	10.8
103.05482	4.3
105.04499	3.0
105.06385	1.5
105.07034	22.4
106.04147	2.6
107.04964	23.1
107.08596	92.0
109.02879	1.1
109.06511	22.0
109.10162	8.2
111.04431	7.8
111.08069	6.5
113.05995	1.8
115.05422	2.0
116.06260	1.1
117.07018	26.0
117.07842	1.5
117.95932	1.0
119.06050	2.6
119.07806	1.5
119.08588	20.8
121.06507	15.3
121.09326	1.6
121.10146	25.4
123.08071	4.3
123.11687	1.5
124.05316	1.0
125.06009	6.5
125.09639	1.8
127.56946	1.2
129.07010	2.5
130.07814	5.9
131.04904	2.3
131.08565	6.2
133.10107	6.9
134.03650	1.0
135.08063	39.6
135.11691	82.5
136.57378	1.7
137.05956	1.0
137.07172	2.2
139.07549	3.3
143.08534	2.5
145.06499	1.2
145.10126	57.2
147.08125	1.6
147.11690	1.6
149.05965	4.4
149.09587	3.4
149.13219	3.2
151.11162	2.8
153.05434	1.1
153.09084	1.6
153.12752	5.7
153.60255	1.3
155.08517	1.1
158.10948	1.0
163.11182	81.5
165.12730	2.6
166.07710	0.9
167.14293	1.3
167.60057	3.7
168.09949	2.3
173.04561	0.9
173.09610	3.4
173.13235	3.7
176.10503	0.9
176.60588	2.4
177.05501	4.9
177.10437	1.5
178.18901	1.0
179.08444	1.0
179.10878	1.2
181.12195	7.9
185.61035	1.4
188.11360	1.2
188.61288	1.1
191.10660	4.8
191.14331	7.3
209.04437	1.2
209.08070	4.9
209.09790	1.7
209.11656	7.0
209.13373	1.7
209.15269	10.4
227.12782	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	209.1175
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03951	49.0
55.01875	27.3
55.05520	16.9
56.96559	2.0
57.03439	10.0
57.07072	2.0
59.04989	3.9
65.03928	5.8
67.05511	80.0
69.03434	12.5
69.07072	18.5
69.49295	2.8
69.49699	10.2
71.01350	2.6
71.05003	8.0
73.02881	1.8
77.03941	1.8
79.05500	71.3
81.03423	100.0
81.07063	73.9
83.04989	33.8
83.08622	8.6
85.02891	2.6
85.06521	6.5
91.05492	48.9
93.03391	6.0
93.06476	3.3
93.07051	59.0
95.04977	41.6
95.08054	2.6
95.08611	31.9
97.02878	4.7
97.06538	19.8
98.20749	3.2
99.04443	3.9
99.08088	2.9
100.02485	2.8
103.05476	7.6
105.04513	2.1
105.07038	21.0
106.04171	15.3
107.04964	51.1
107.08601	39.5
109.06534	27.1
109.10159	7.0
111.03709	1.8
111.04458	25.7
111.08089	8.4
115.05401	2.8
117.06350	2.1
117.07029	24.9
119.08588	22.6
121.06524	21.3
121.10151	54.7
121.11028	3.2
123.04451	3.4
123.08069	14.8
123.11687	6.8
125.05981	6.7
125.09624	2.6
128.06165	2.0
129.07005	9.2
130.07768	4.4
131.04916	8.6
131.08575	18.3
132.05670	3.5
133.10139	7.7
135.08066	9.8
135.11694	34.7
137.05968	2.7
137.09604	5.1
137.13190	3.5
145.02840	2.1
145.06502	16.2
145.10133	52.8
147.08041	3.2
147.11676	3.9
149.05974	21.1
149.09627	31.3
149.13222	7.4
149.46864	1.7
151.11153	5.4
153.07025	1.9
153.09105	5.4
153.12776	9.8
155.08556	19.3
161.03777	1.6
163.11200	40.7
163.14833	2.2
165.12761	92.9
167.14203	2.0
173.09644	37.7
173.13225	3.3
177.05431	11.5
181.08562	5.2
181.12215	6.6
191.07095	2.0
191.10680	16.4
191.14294	5.4
209.08180	9.0
209.11797	18.2
209.13445	3.6
209.15356	57.6
215.26538	1.6
219.46196	1.5
227.12766	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02365	0.9
53.03941	5.7
55.01623	1.5
55.01870	17.5
55.05513	40.1
56.96549	1.2
57.03440	5.8
57.07064	1.9
65.03943	2.4
67.05505	48.1
69.03432	4.9
69.07068	20.7
69.78913	0.7
69.80382	4.5
70.32625	0.7
71.01319	1.0
71.04998	7.5
73.02934	4.1
74.10294	0.8
77.03897	1.8
79.05495	68.8
81.03415	8.3
81.07056	50.1
81.95441	0.8
83.01342	1.5
83.04996	9.4
83.08138	1.5
83.08615	20.0
85.02881	0.9
85.06546	1.9
91.05479	22.2
91.73222	0.7
93.03396	1.6
93.07045	90.8
95.04972	19.5
95.08608	100.0
96.82605	0.8
97.02892	10.4
97.06522	9.6
97.10168	1.6
99.04462	11.3
102.91808	0.8
103.05466	2.7
105.04545	0.9
105.07034	18.6
107.04960	24.9
107.08596	65.2
109.06530	5.7
109.10149	6.0
111.04480	3.7
111.08080	4.4
113.06041	1.6
113.09609	0.9
115.05419	1.9
116.06155	0.9
117.07021	24.5
117.43021	0.9
119.08585	18.5
119.77937	0.7
121.06506	15.0
121.09315	1.5
121.10145	22.7
123.08092	1.5
125.05983	5.6
127.07541	0.8
128.26796	0.8
129.06950	1.2
130.07776	5.5
131.04959	1.2
131.08557	1.6
133.10130	4.9
135.08093	4.7
135.11694	92.0
139.07521	3.0
143.08530	1.4
144.05635	0.7
145.06413	1.4
145.10123	61.2
153.12741	3.1
155.08621	1.2
163.11183	81.7
173.09645	1.4
181.12212	7.4
209.11649	1.7
209.15312	1.8
215.03563	0.8
227.12787	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	7.7
55.05510	7.2
60.20349	0.9
67.05184	1.7
67.05510	26.2
69.07066	5.8
70.41980	1.3
70.42336	3.2
71.04991	1.8
73.06551	1.7
77.03927	3.3
79.05495	54.0
80.23336	1.0
81.03407	1.4
81.06593	1.1
81.07059	21.9
83.04953	3.5
83.08600	4.4
85.06551	2.2
91.05483	51.4
93.07047	100.0
95.04967	12.3
95.08600	9.9
97.06518	3.3
97.10169	1.7
99.44801	1.0
105.04504	2.4
105.06387	1.9
105.07034	23.5
107.08597	10.9
109.06523	5.0
111.08108	1.4
117.06990	4.5
119.08594	12.9
121.06470	1.8
121.10142	2.1
123.08047	4.5
127.07597	1.1
128.06157	1.8
129.07019	10.7
131.08549	1.4
133.10139	5.8
143.08536	4.7
145.10114	8.2
147.07933	1.0
147.11690	52.2
161.09589	3.9
161.12044	1.4
161.13229	7.7
163.11072	1.2
166.09093	1.4
171.11691	22.5
189.12755	13.0
207.11908	1.4
207.13834	25.5
222.64261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.8
53.03950	5.0
55.01876	20.2
55.05514	37.2
56.96568	2.8
57.03441	6.7
57.07074	4.3
59.05000	1.7
65.03941	4.7
67.05508	53.2
69.03445	4.9
69.07070	23.9
70.30362	0.9
70.30759	1.2
71.01354	2.6
71.04990	8.5
73.02927	3.7
78.04700	0.7
79.05497	67.9
80.05803	0.8
81.03423	13.2
81.07062	57.1
82.44447	0.6
83.01352	2.0
83.04985	17.4
83.08623	20.7
85.02907	2.2
85.06530	2.6
89.03886	0.8
91.05480	31.2
93.03410	1.8
93.07047	94.8
95.04975	22.4
95.08610	100.0
97.02897	13.5
97.06533	11.6
97.10185	2.8
99.04460	11.3
99.08084	0.9
102.94868	0.6
103.05453	3.8
105.04510	1.7
105.07032	20.2
105.26628	0.6
106.04170	2.1
107.04962	23.4
107.08599	72.9
108.08980	0.7
109.06530	18.1
109.10163	8.2
111.04443	8.9
111.08086	4.8
113.06005	2.0
113.09641	1.1
115.05455	2.3
116.06215	0.9
117.07025	23.5
118.56406	0.6
119.06124	0.8
119.08587	21.1
120.08057	0.8
121.06514	18.2
121.10150	25.3
123.04447	0.6
123.08083	3.6
123.11719	1.3
124.05292	0.7
125.06009	8.0
125.09631	1.4
127.06746	0.6
127.07594	1.3
127.56976	1.1
129.06979	1.9
130.07790	5.1
131.04955	2.1
131.08577	4.9
133.10141	7.2
134.07274	0.7
135.07115	0.9
135.08084	15.3
135.11699	87.5
136.07327	0.8
136.12146	0.7
137.09656	0.8
139.07542	3.4
139.11188	1.1
143.08580	2.6
145.10129	56.8
147.08174	1.1
147.11609	1.3
148.05188	0.9
149.05949	3.6
149.09641	3.5
149.13263	2.0
151.11212	2.2
153.05565	0.6
153.09129	2.7
153.12726	4.4
155.08574	1.7
163.11189	82.3
164.11470	0.8
165.12756	2.6
167.14348	0.7
167.60059	2.3
168.09871	0.7
170.62379	0.7
173.09621	3.7
173.13243	2.7
176.60608	2.1
177.05508	3.3
179.08559	0.8
179.10986	1.2
181.08618	0.6
181.12222	6.9
191.07030	1.4
191.10715	3.4
191.14317	5.9
209.04469	0.8
209.06227	0.9
209.08008	3.5
209.09807	1.4
209.11626	6.1
209.13322	0.9
209.15288	8.2
227.12759	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02380	1.2
53.03954	7.8
55.01867	1.5
55.05301	0.8
55.05517	9.5
65.03923	1.6
67.05509	27.0
69.07073	5.0
70.04265	2.2
70.04672	1.7
71.04997	1.4
73.06556	1.1
73.40907	0.8
77.03923	2.1
79.05501	50.4
81.03419	2.9
81.07065	19.9
83.04976	3.4
83.08640	3.7
85.06532	2.4
91.05490	48.0
93.07051	100.0
93.75784	0.7
95.04977	11.8
95.08614	9.6
97.06522	1.3
97.10193	1.0
101.06046	0.9
105.04515	2.9
105.07042	25.7
107.04960	0.9
107.08607	8.2
108.64962	0.6
109.06525	3.7
117.07010	4.4
118.16785	0.8
119.08591	13.3
121.06519	2.0
121.10137	1.3
123.08104	3.8
127.07533	1.4
128.06235	1.8
129.07034	10.2
131.08562	0.7
133.10173	6.0
143.08577	4.4
145.10120	7.0
147.08041	1.3
147.11697	46.4
161.09650	3.6
161.13284	9.3
171.11713	22.4
183.61800	0.9
189.12750	11.1
197.59583	0.8
207.13837	28.7
208.14326	0.9
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
51.19234	1.8
51.48761	1.7
53.03939	2.7
55.01868	3.1
55.05509	9.9
57.03422	8.3
57.07053	2.1
59.04993	4.2
59.24395	2.1
61.96621	1.9
67.05505	25.7
69.03422	11.7
69.07075	7.0
69.39575	13.9
69.39986	2.8
71.04984	3.7
76.84570	1.7
79.05496	11.4
81.03410	7.0
81.07068	18.2
83.04984	10.3
85.02901	9.0
85.06535	4.5
91.05479	22.5
93.07046	25.1
95.04955	10.4
95.08604	31.5
97.06490	2.4
98.97575	5.6
99.04504	2.1
105.07029	57.1
107.04958	5.7
107.08589	25.1
109.05889	3.0
109.06535	33.1
109.10139	22.4
111.08085	5.8
117.07003	3.6
119.04945	6.8
119.08583	55.9
121.06468	9.3
121.10130	17.5
122.07361	2.7
123.08082	32.5
123.11724	4.1
125.05972	7.1
128.06284	2.2
129.07005	3.5
131.08530	3.9
133.06473	7.1
133.10141	11.4
135.08078	6.7
135.11723	3.4
137.09625	100.0
139.07555	8.8
143.08559	2.1
145.10130	7.9
147.04408	4.5
147.08014	10.7
147.11703	26.7
149.02365	3.0
149.09624	33.0
151.07497	10.1
156.09366	5.4
159.08037	2.7
159.11668	4.7
161.06007	3.0
161.09575	3.4
161.13271	24.7
163.11226	4.7
165.09076	3.9
165.12730	4.5
165.96530	2.5
171.11690	9.3
174.10454	2.3
175.03928	2.5
176.08275	2.2
177.05588	2.1
177.12715	5.4
179.14365	2.9
189.12772	25.7
207.06549	8.0
207.13818	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02372	0.8
53.03948	5.9
55.01860	0.9
55.05512	4.2
56.70203	0.5
61.92070	0.4
63.92783	0.4
65.03926	1.3
67.05506	19.5
69.07076	4.3
69.99315	1.3
69.99725	1.1
71.04994	1.7
73.06546	0.5
77.03940	2.1
79.05495	39.5
81.03416	1.0
81.06586	0.8
81.07063	16.1
81.11902	0.5
83.04987	1.5
83.08612	2.6
85.06543	2.2
85.17004	0.5
91.05484	42.1
93.07048	100.0
95.04985	6.8
95.08601	5.1
97.06519	1.6
101.06018	0.7
105.04533	3.1
105.07034	19.9
107.08595	8.2
109.06541	3.4
111.08091	0.7
113.06013	0.5
115.05434	0.6
117.07040	3.6
119.08598	9.8
121.06494	1.4
121.10160	0.9
122.62784	0.5
123.08069	3.2
125.06087	0.5
127.07568	1.1
128.06221	1.0
129.07010	8.3
130.07776	0.5
131.08542	0.8
133.10120	3.9
141.09142	0.4
143.08594	4.0
145.10123	5.7
147.08060	1.5
147.11694	43.0
161.09668	3.3
161.13263	6.5
163.11153	0.6
171.11690	19.2
189.12750	8.5
207.13811	20.2
210.45319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03925	4.3
53.32045	1.7
55.05510	22.2
56.11655	2.0
56.96562	2.5
57.03427	3.4
57.07069	6.7
59.05005	5.2
65.03933	2.8
67.05511	35.5
69.03429	9.7
69.07056	7.6
70.67071	2.1
70.67416	5.2
71.04983	5.2
71.10113	2.1
77.08755	1.9
79.05493	13.6
81.03426	3.3
81.07063	21.7
81.71670	1.7
83.04971	9.1
83.08609	8.0
85.02431	3.0
85.02914	52.6
85.06535	11.5
91.05479	23.2
93.07057	31.4
95.04960	6.4
95.08612	100.0
97.06531	2.3
98.97582	10.2
103.05463	1.8
104.48416	1.9
105.06388	3.6
105.07040	40.9
105.79449	2.0
107.04966	3.1
107.08607	36.1
109.06537	14.1
109.10148	11.4
111.04431	2.4
111.08075	4.2
113.06001	5.8
113.10161	2.2
116.98579	2.9
117.07000	2.7
119.04939	4.2
119.08584	51.8
121.06497	6.7
121.10149	27.4
123.08074	73.4
123.11716	37.5
125.06015	3.4
125.09619	4.1
129.06947	2.7
131.08577	10.4
133.06487	5.3
133.10158	15.2
135.08049	11.2
135.11685	8.2
137.09615	30.0
137.13263	3.4
139.07545	3.4
143.08554	3.9
145.10095	9.3
147.04427	3.5
147.08096	9.6
147.11696	39.6
149.09628	67.8
151.07544	10.0
151.14793	2.3
153.09129	6.5
156.09355	8.1
158.99660	8.1
159.08089	3.3
159.11665	4.0
161.05988	2.3
161.09637	3.9
161.13263	26.7
163.11174	5.7
165.09059	2.7
165.12733	15.3
171.11697	9.1
174.10394	6.9
177.12791	3.5
179.14320	4.3
189.12749	48.6
199.10471	2.0
207.06598	4.5
207.13820	84.3
211.71214	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.74646	0.6
51.33916	0.7
52.57459	0.7
55.05505	4.1
55.37748	0.7
57.07076	4.7
59.05008	1.4
62.51745	0.7
65.03928	1.1
67.05504	26.9
69.03426	3.2
69.07066	2.4
70.91980	1.8
71.04987	1.3
73.91516	0.7
79.05500	3.7
81.07072	3.9
83.04989	2.5
85.02904	2.5
85.06545	11.1
91.05463	6.6
93.07053	11.7
95.04968	3.1
95.08609	100.0
95.64640	0.8
97.06545	1.1
103.05441	1.0
105.07036	13.0
107.08594	17.1
109.06517	3.0
109.10172	2.6
111.08135	0.7
113.06000	6.9
115.05373	0.7
119.04971	1.0
119.08587	20.5
119.19221	0.8
119.46815	0.7
120.01553	0.9
120.08107	1.1
120.09364	1.0
121.06522	2.6
121.10146	13.6
123.08070	48.9
123.11694	6.1
131.08566	3.2
133.06493	1.3
133.10121	4.5
135.11696	6.3
137.09610	3.1
137.13229	0.9
139.07587	1.2
145.10114	1.4
147.08035	3.4
147.11702	12.9
149.09619	33.7
151.07541	1.0
151.14841	4.2
156.09332	2.1
159.11719	1.1
161.09599	2.1
161.13260	15.2
161.14412	0.6
163.11211	1.6
165.09125	1.7
165.12772	9.7
171.11707	2.7
174.10397	2.3
179.14307	2.7
189.12744	15.2
207.13815	25.4
207.15752	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1177
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03952	0.3
54.39130	0.2
55.01865	0.5
55.05497	0.7
56.96342	0.3
56.96567	3.4
57.03426	0.7
57.07055	0.3
60.04500	0.3
61.02921	0.3
61.03730	0.2
62.06078	0.3
62.21188	0.2
65.03929	0.3
67.05491	0.7
69.03434	1.0
69.07056	0.8
70.05171	0.7
70.06580	0.5
71.05000	0.2
72.08146	0.3
73.02922	0.5
75.16489	0.2
79.05485	1.0
81.03408	0.4
81.07046	0.7
83.04952	0.4
83.08627	0.2
84.04524	0.2
84.08148	0.4
85.02890	1.4
86.09702	0.7
88.02217	0.3
89.00778	0.4
91.05483	2.0
92.05000	0.2
92.05814	0.4
93.05786	0.5
93.07040	1.4
94.07376	0.9
95.04953	0.5
95.08582	0.4
97.02876	0.6
97.06510	0.7
98.03216	0.2
98.97581	2.4
99.04478	0.3
101.00889	0.3
102.96851	0.4
103.05451	0.7
105.07015	0.9
107.08582	0.7
108.01524	0.5
110.03159	0.2
110.97594	0.5
112.99133	0.2
115.05495	0.2
116.05278	0.4
116.98601	0.9
117.05714	0.2
117.07003	0.9
118.06544	6.4
119.01893	0.6
119.04932	0.8
119.07337	5.2
119.08628	0.5
120.08105	5.1
120.97977	0.3
121.06492	1.2
122.03138	0.3
122.06820	1.4
123.04497	0.4
123.96459	0.9
128.98611	0.4
130.02802	0.2
130.06445	0.2
131.11987	0.2
132.08069	1.2
133.06451	0.3
133.08882	0.7
134.09651	26.0
135.09886	0.2
142.03484	0.6
143.00171	0.2
144.08084	0.4
146.03192	0.7
146.05980	0.7
146.09624	0.5
146.99585	0.3
147.04420	1.8
147.07944	0.3
149.02313	0.7
150.02669	1.3
150.09233	0.3
151.07547	0.4
158.99658	0.6
160.04561	0.3
160.11172	2.2
161.12013	1.4
165.03131	0.4
165.12746	0.2
165.53453	0.2
174.03639	3.7
177.00711	0.3
182.99640	0.5
183.04175	3.7
183.54297	0.3
185.02780	0.5
185.54424	1.5
188.07011	0.5
189.05434	0.2
190.08643	5.6
191.09418	1.7
191.14304	1.0
192.04721	0.4
193.10855	0.3
194.55043	0.5
201.00710	0.6
206.05428	2.2
206.11758	100.0
207.06458	0.4
207.12103	0.9
225.04388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.87001	0.7
53.03942	0.8
55.01853	0.8
55.05498	2.4
56.27358	0.8
56.96560	2.0
57.03432	1.2
57.07070	2.2
59.04997	1.4
64.82798	0.8
67.05506	5.2
69.03417	3.3
69.07058	2.0
70.73428	1.7
70.73773	1.5
71.04976	1.8
73.02837	0.8
74.41022	0.9
75.39598	0.7
79.05486	4.6
81.07058	13.1
83.04975	2.3
83.08585	1.1
85.02907	100.0
85.06532	2.0
87.04447	1.0
91.05480	15.2
93.07048	6.2
95.04979	1.2
95.08612	5.3
97.06486	1.1
98.97578	2.7
103.05442	1.7
105.07036	20.5
107.04922	1.5
107.08604	7.4
109.06524	7.3
109.10157	13.3
111.04454	1.4
117.07003	2.0
118.04101	0.9
119.04969	7.2
119.07803	1.3
119.08584	20.2
120.08099	1.7
121.08407	2.6
121.10160	11.0
123.08062	5.0
123.11713	52.7
124.99121	2.3
125.05992	7.6
128.06253	1.1
129.07024	1.0
130.07813	1.1
131.08562	3.5
133.06503	2.5
133.10127	2.0
135.08051	1.0
137.09598	1.7
139.07600	1.2
141.05513	0.9
143.00179	3.7
143.08540	2.1
144.08093	1.4
145.10130	11.3
146.11049	1.1
147.04411	9.6
147.08034	5.7
147.11693	23.5
149.09631	14.2
151.07578	5.2
156.09367	4.0
159.08087	1.0
161.09662	1.6
161.13260	2.4
163.11169	2.6
163.53194	0.9
165.12787	3.5
165.96472	1.4
171.11694	5.1
174.10445	2.0
175.03905	5.1
175.06276	1.1
179.06958	1.0
180.55350	0.9
184.04492	0.9
185.44489	0.9
189.12761	10.7
192.04140	2.0
207.06651	5.4
207.08363	1.2
207.13811	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01861	8.0
55.05507	5.6
56.05028	4.3
56.96292	2.9
56.96571	53.1
57.03440	15.5
58.06594	4.5
59.05004	3.2
60.04515	6.0
61.02936	25.4
62.03278	1.9
63.92944	3.6
65.03946	2.8
65.92619	3.5
67.05495	4.0
68.05035	2.1
69.03436	15.1
69.07055	6.0
70.06599	17.1
70.98093	4.6
71.01367	2.5
71.04997	5.0
71.55684	2.3
71.95251	2.5
72.04514	5.7
72.08183	4.1
73.02926	38.7
74.06079	13.1
74.97591	2.3
75.04469	2.6
77.00932	2.3
78.55946	1.9
78.95283	15.4
79.05487	2.2
80.05009	2.9
80.94978	14.4
81.03427	11.1
81.07065	3.8
82.99847	3.9
83.00797	2.3
83.04973	6.4
84.04481	7.6
84.08154	9.6
84.96019	6.1
85.02915	22.8
85.06545	2.9
86.03690	3.3
86.06045	2.9
86.09721	18.0
87.04466	8.6
89.00790	2.3
90.05549	6.3
91.05506	2.0
93.18124	1.7
94.58754	1.9
95.01311	3.6
95.04955	5.0
97.00516	2.0
97.02907	21.0
98.01309	2.5
98.06039	4.3
98.09698	3.0
98.97599	47.5
100.02442	3.6
101.00882	29.1
101.02489	3.5
102.00980	3.7
102.02370	2.4
102.96912	2.4
103.00643	5.8
105.02023	2.2
105.07001	2.3
109.02871	3.6
110.01276	8.4
110.02027	2.2
110.06007	2.6
110.07153	4.8
110.97561	8.0
111.04469	3.1
113.00891	5.4
113.02457	2.3
113.05978	2.2
114.09174	2.8
115.02398	5.3
116.02541	1.9
116.03430	2.6
116.07085	5.7
116.98634	17.5
117.01897	6.2
118.01032	3.5
118.03606	2.0
119.01920	77.6
119.97878	8.9
120.02026	4.3
120.98280	10.0
121.01643	10.1
121.97600	17.8
122.02135	3.5
122.05998	3.3
122.94207	5.6
123.02076	2.8
123.96373	4.0
124.02484	6.1
124.07619	3.6
124.93877	6.0
124.99121	3.8
126.09156	6.2
127.03954	5.9
127.51717	3.4
128.02335	22.0
128.07059	3.9
128.10768	2.5
128.98593	6.0
129.10205	2.5
130.08638	5.7
131.00125	4.8
131.01889	10.6
132.00752	3.7
132.02026	11.7
133.01636	9.0
133.03465	5.4
133.06606	2.0
134.03595	2.8
134.06000	2.0
134.09639	2.1
134.99673	7.1
135.03201	4.3
136.06161	3.0
136.07584	2.4
137.02876	23.1
138.00841	2.9
138.05482	3.9
140.02286	3.3
140.95259	6.7
140.98627	3.4
141.95549	4.3
142.03522	100.0
142.94945	10.0
143.00159	6.5
143.01923	9.5
144.10219	26.0
145.01570	4.5
145.03470	4.4
145.04898	3.0
146.02231	2.8
146.03394	2.5
146.08107	4.4
146.91870	4.5
146.99702	4.7
147.01347	3.5
147.03156	4.5
148.02036	4.3
148.03842	5.4
148.53960	2.9
149.01181	4.5
149.02928	2.8
149.12053	3.0
150.02794	4.1
151.03905	3.0
152.04338	2.4
154.53061	3.0
155.00093	3.2
155.03734	17.6
156.04005	2.4
156.10181	3.4
157.01471	2.2
157.02557	5.8
158.03601	2.1
158.96281	5.6
158.99635	5.0
160.01552	3.4
160.04594	26.9
160.95993	6.1
161.01126	7.0
161.02888	18.7
162.03094	2.3
162.12767	4.8
163.02692	5.7
163.96841	8.8
164.03267	3.0
164.97177	15.8
164.98602	8.0
165.05188	3.4
165.96555	20.3
168.99187	2.7
169.53613	2.1
170.03430	2.4
170.08116	5.3
170.11766	3.4
171.01353	2.5
173.01247	6.6
173.02994	3.7
173.04755	6.8
174.01874	4.3
174.03580	6.9
175.02687	4.9
176.03105	2.8
176.04678	3.1
177.00681	5.4
181.97922	9.8
182.98212	17.6
182.99673	30.0
183.02379	2.6
183.97623	21.5
184.04579	9.8
185.01334	3.4
185.02843	2.7
186.03055	3.5
187.02841	2.4
188.03391	7.2
188.09200	8.3
188.12857	3.0
189.00688	5.9
189.02417	2.7
190.98688	2.4
191.14359	3.0
193.10815	5.4
197.03833	2.8
200.98911	4.1
201.00710	54.2
201.02473	15.3
201.04213	3.5
203.02377	2.4
206.05090	4.2
206.08296	4.6
206.10228	13.6
206.12012	3.4
206.15411	48.5
215.04160	2.2
219.01782	14.5
219.03615	3.7
221.05081	3.5
222.05283	4.3
223.04807	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	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73204	1.2
67.75966	1.1
70.55885	2.6
70.56281	2.5
77.65890	1.2
79.52309	1.1
81.05461	1.1
82.01453	1.5
82.99835	4.8
100.02520	1.7
101.00890	30.1
107.94129	1.3
117.10124	1.2
119.01929	43.1
120.02010	2.0
121.01739	1.4
124.02463	12.1
137.02956	4.7
142.03506	100.0
145.03415	1.5
160.04570	18.8
161.02972	1.9
165.05119	3.9
182.99686	2.1
184.04529	3.3
185.37801	1.3
200.49796	1.3
201.00749	2.8
201.02539	3.3
206.05420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
50.84534	2.2
53.03934	4.2
55.01858	3.5
55.05510	23.9
56.96297	3.8
56.96567	72.9
57.03439	12.0
57.07079	14.1
59.04998	2.4
60.04523	2.9
61.04863	2.3
65.03947	10.6
67.05508	29.4
69.03422	8.0
69.07069	29.9
69.35744	11.0
69.36175	10.5
70.92549	2.1
71.04602	2.3
71.04997	38.9
71.08599	3.0
71.95224	3.6
79.05490	16.3
81.03389	5.7
81.07063	42.7
82.04623	2.0
82.83630	2.0
83.04976	5.1
83.08612	6.9
85.02903	8.9
85.06516	3.9
88.01830	6.1
91.05492	22.2
93.06482	4.3
93.07048	71.6
95.04948	4.5
95.08066	2.8
95.08616	44.4
97.02349	4.2
97.02892	20.7
97.06525	5.0
98.97563	7.8
99.04450	4.7
99.08082	6.0
100.01820	2.4
105.06389	4.3
105.07037	54.1
107.08596	32.2
109.02858	12.4
109.06510	7.3
109.10137	8.9
110.97559	2.4
111.08084	6.3
113.09651	61.2
116.03134	3.2
117.03374	2.8
117.07001	6.2
119.08598	28.3
120.05131	3.3
121.02864	6.4
121.04099	4.2
121.06498	8.0
121.10144	17.1
123.03813	5.8
123.08092	2.2
123.11737	5.4
124.04600	3.0
125.68915	2.8
126.04258	2.6
126.05125	3.5
127.00739	2.4
127.03900	7.3
128.04840	2.7
128.98579	2.4
129.06987	2.2
131.08565	25.2
133.10139	6.2
134.04855	2.9
134.06741	2.5
135.05684	10.2
135.08057	4.8
135.11690	12.8
136.06500	3.3
137.02696	2.5
137.05392	5.3
137.09660	11.1
140.04874	4.4
140.55103	2.5
141.02274	2.9
143.05447	4.5
143.08580	2.5
144.06181	9.0
145.02866	20.8
145.09045	4.4
145.10126	55.3
147.11684	39.4
149.02356	59.8
149.05406	14.6
149.09576	4.7
149.13261	7.8
149.55614	3.7
153.09372	3.2
154.06454	5.8
155.03783	4.0
157.01820	3.1
158.05971	21.4
159.11644	13.0
161.01161	2.9
161.09059	2.4
161.13260	15.6
162.09866	6.6
163.07018	3.3
163.11157	6.4
163.14824	9.3
166.08316	2.9
167.06479	6.2
171.03252	3.9
171.10353	3.5
173.04816	3.1
173.09608	2.2
175.02759	6.7
175.08803	19.1
177.12793	19.6
177.16365	2.3
181.97824	3.9
184.09363	11.0
185.04921	3.7
186.59659	2.7
187.11211	3.7
187.14816	28.3
189.04437	3.8
193.03925	2.7
193.09880	6.7
195.60074	2.8
196.20326	2.2
199.06390	6.4
201.04327	3.7
203.05841	4.1
205.04991	47.8
205.06839	3.0
205.08830	4.0
205.12250	20.3
205.15874	100.0
205.19270	3.4
213.07990	10.2
216.03128	2.5
217.07454	5.7
227.05981	2.6
229.07425	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03931	3.4
55.01856	6.9
55.05525	12.0
56.96569	46.1
57.03419	5.8
57.07080	9.9
58.06569	2.3
59.04976	3.0
60.04513	5.1
65.03940	12.2
67.05504	17.7
67.83577	1.9
69.03436	11.5
69.07080	12.2
69.23071	4.9
69.23478	15.8
70.98118	3.5
71.04646	2.8
71.04996	34.0
71.95254	2.0
73.02925	2.6
79.05495	25.3
81.03432	11.4
81.07069	29.6
83.04968	6.9
83.08607	2.8
85.02911	9.4
85.06534	4.0
89.03879	2.9
89.89724	1.9
91.05486	27.9
93.06475	4.0
93.07048	73.3
94.07335	3.3
95.04978	11.3
95.08613	34.8
97.02892	34.3
97.06513	8.8
98.97527	4.2
99.04478	9.5
99.08097	3.9
105.07038	61.8
106.43850	1.9
107.04962	19.6
107.08601	31.4
109.02220	2.4
109.02889	19.9
109.06514	9.6
109.10165	6.1
111.08080	10.5
113.08881	3.2
113.09654	51.6
113.96420	2.2
115.00723	2.7
115.05522	2.2
117.07011	16.5
119.00193	2.4
119.08580	35.9
121.02866	8.7
121.04031	3.6
121.06513	16.8
121.10139	17.4
122.07292	3.1
123.04477	3.0
123.08057	11.2
125.09623	4.3
127.03926	6.7
127.05872	2.5
129.06944	3.1
130.07773	4.1
131.08575	28.4
133.06491	2.3
133.10115	7.6
135.05655	5.4
135.08064	15.0
135.11705	19.6
137.09599	6.5
141.06961	2.8
143.00124	2.1
143.08592	4.4
144.06212	3.4
144.09348	3.1
145.02890	22.5
145.04984	3.1
145.06488	9.6
145.10126	65.6
146.04919	3.1
147.08051	3.7
147.11702	43.6
149.02353	65.4
149.05397	5.3
149.09634	4.1
149.13210	2.4
154.07794	2.7
155.05402	5.7
158.05974	10.8
159.07997	4.9
159.11713	19.4
161.07219	3.2
161.13254	16.1
162.10350	2.4
163.07115	2.2
163.11180	12.6
163.14853	10.9
163.96852	3.3
169.10080	5.5
172.12460	3.3
173.02391	3.4
174.08075	5.8
175.08791	6.0
176.94876	2.3
177.05469	2.6
177.09315	2.3
177.12752	20.1
181.97870	3.9
182.22430	1.9
183.08521	3.3
184.09262	6.4
184.59431	2.4
187.11203	24.0
187.14816	31.7
193.09795	2.8
205.05008	45.0
205.06844	3.7
205.08475	4.1
205.12292	32.3
205.15883	100.0
212.13986	1.9
214.32523	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03946	2.9
55.01876	5.0
55.05510	3.3
56.96561	3.2
57.03422	1.1
57.07080	4.0
58.06602	0.9
60.04532	1.7
65.03951	4.1
67.05508	12.8
68.51152	0.6
69.03419	3.5
69.07069	6.1
69.49030	5.2
71.01351	3.3
71.05015	0.9
73.02908	1.2
74.26833	0.7
77.03892	0.8
79.05059	1.4
79.05498	19.0
81.03426	4.7
81.07057	11.4
83.04993	4.8
83.08629	2.4
85.02904	2.5
85.06570	0.7
89.78580	0.6
91.05481	14.7
93.07053	8.4
95.04977	13.4
95.08607	8.1
97.02889	9.8
97.06534	2.4
99.04469	2.2
99.08086	3.9
100.99174	0.9
103.05453	1.7
105.07030	8.8
106.38026	0.7
107.04959	100.0
107.08601	3.3
108.05293	0.7
109.02899	9.8
109.06529	3.6
109.10162	1.1
111.04448	1.2
111.08092	12.7
112.04518	1.0
113.96414	1.2
114.51132	0.7
115.05426	1.4
117.07024	8.6
119.00185	0.8
119.04931	6.2
119.08607	2.2
121.02874	3.2
121.06504	7.8
121.10147	1.9
123.04432	6.4
123.08081	9.6
127.03911	3.4
127.05856	2.1
128.06227	0.9
129.07040	1.7
130.07761	1.1
131.04968	2.1
131.08580	9.2
133.06496	3.0
133.10132	1.7
135.08049	2.2
135.11694	8.8
141.06995	5.2
143.08521	3.9
145.02867	5.5
145.05244	1.1
145.06487	14.6
145.10139	7.5
146.07277	1.0
149.01158	1.2
149.02350	24.1
149.09552	1.0
149.13248	0.8
154.07799	1.4
157.10133	1.7
159.08121	4.4
159.11681	12.2
161.09496	1.0
163.02837	1.5
163.11220	1.1
163.96904	1.1
169.10130	9.4
173.02290	0.9
177.12764	3.2
181.97887	1.6
182.06572	1.1
187.11188	37.7
187.14775	2.3
205.05020	15.8
205.06863	1.7
205.08841	2.3
205.12253	32.1
205.13878	1.2
205.15741	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03942	1.5
55.01873	0.8
55.05513	9.2
56.96577	6.7
57.07056	1.6
60.04519	2.6
62.84828	0.7
65.03942	0.8
67.05509	22.0
69.03449	1.2
69.06725	0.9
69.07073	14.9
71.04990	0.8
71.57319	0.7
79.05499	8.3
81.07058	39.4
82.01430	0.7
82.11866	0.7
83.04957	1.9
83.08607	5.3
85.02863	0.8
91.05486	12.3
93.07050	18.7
95.04971	1.8
95.08612	58.8
96.04472	0.8
97.02905	1.0
97.10158	2.1
98.97575	1.0
100.02471	1.9
105.02783	0.7
105.03381	3.5
105.07034	46.9
107.08599	29.2
109.06525	1.1
109.10161	53.2
114.05534	0.9
115.05510	1.0
117.07011	1.7
119.08586	39.3
121.10147	19.8
123.08124	1.0
123.11684	7.3
125.09661	0.7
126.05502	1.4
128.06206	1.1
129.06996	1.7
131.00175	1.3
131.08563	3.3
133.10139	25.8
135.11687	5.9
143.05382	1.1
145.10124	4.2
147.11691	61.2
148.12471	0.7
149.01224	5.5
157.10172	1.5
159.11690	2.2
160.05170	0.9
160.12531	1.6
161.09642	1.4
161.13280	17.6
162.06180	1.1
167.02289	1.5
171.06721	1.7
175.07607	1.2
175.11188	1.1
175.14833	7.3
179.98016	0.9
182.07777	1.2
184.90007	0.8
185.13327	1.1
192.09154	0.9
197.99149	1.5
203.05313	1.3
203.07079	2.9
203.10709	2.6
203.14314	4.9
203.17966	100.0
204.18295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.05507	9.3
56.22168	3.6
56.96563	40.7
57.03439	9.5
57.07082	25.8
61.02942	5.3
61.93103	3.2
67.05510	5.5
69.03436	19.7
69.07070	7.9
69.55055	24.1
71.04973	3.9
73.02917	12.2
79.05495	6.5
81.03436	6.4
81.07064	7.1
81.13660	3.7
83.04980	3.6
84.08143	4.8
84.96032	5.2
85.02888	26.8
87.04488	5.5
91.05474	7.3
91.14011	3.6
93.07045	6.4
95.08611	6.4
97.02898	15.6
98.97581	43.1
100.99161	6.0
103.00717	3.1
105.07037	9.2
107.08649	3.7
109.02921	9.0
110.97583	10.3
115.05361	3.4
116.98629	14.9
117.07013	3.4
119.00201	8.5
119.01854	6.4
119.08588	9.4
121.10156	5.7
128.98615	7.4
129.02251	9.9
131.03824	18.6
133.10158	9.3
141.03123	10.2
143.00150	9.2
143.01962	4.1
143.08591	7.3
147.03281	6.1
147.11697	8.0
149.04842	21.9
150.03600	6.9
157.10152	8.2
158.99638	6.9
160.05727	38.2
161.01245	10.2
161.02930	4.6
161.09668	3.9
161.13261	3.8
163.33023	3.6
167.05960	4.7
169.06236	100.0
169.07629	6.9
169.56369	4.9
170.99669	6.9
173.01201	6.2
175.06374	43.0
177.00632	6.8
178.06755	12.9
180.57014	16.5
181.06241	12.5
190.06754	15.5
193.07507	42.8
201.00716	5.8
203.05577	12.0
203.07185	17.3
203.10709	14.0
203.14371	10.6
203.18031	9.9
211.08578	4.7
212.06154	5.1
217.07518	14.5
219.01794	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	203.1795
Annotation	cis-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methyl-1,3-cyclohexadiene
Peak:m/z	Relative Intensity
51.46336	1.2
55.05494	4.2
57.07072	2.1
60.04525	3.2
65.03931	1.4
67.05503	13.1
69.03403	1.4
69.07057	4.6
70.79816	1.2
71.57772	1.6
76.08599	1.0
79.05485	4.1
81.07055	18.0
83.08612	2.9
84.04491	2.1
91.05482	10.3
93.07040	17.4
93.47215	1.2
95.08610	49.0
96.04465	1.6
97.02889	1.5
97.10173	1.4
100.02480	2.0
105.07036	32.5
107.08597	24.9
109.10160	32.9
114.05445	1.5
117.07069	1.4
118.03516	1.4
119.08591	23.3
121.10151	15.5
123.11707	7.7
126.05500	2.8
130.03421	1.1
131.08504	1.1
133.10124	19.4
135.11678	2.1
145.10107	2.1
147.11690	35.9
156.97583	1.4
161.13264	16.6
161.49661	1.1
175.14822	7.0
197.99161	2.0
203.05251	2.4
203.07016	3.6
203.10622	3.2
203.14320	3.3
203.17958	100.0
204.08640	3.0
206.65038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88926	0.9
54.78824	0.9
70.52672	2.5
79.12777	0.8
82.01437	1.0
82.99828	5.6
88.27032	0.9
93.86224	0.8
98.97572	2.8
100.97195	2.1
100.98019	1.6
101.00885	54.2
116.98603	1.0
119.01927	100.0
120.02029	1.7
124.02451	6.3
137.01958	1.7
137.02959	18.8
142.03506	50.5
143.01801	2.0
160.04587	10.3
161.02962	35.8
179.04021	45.2
184.04550	3.3
188.29172	0.8
190.49416	1.0
199.50064	2.3
202.05663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21661	1.0
53.03931	1.2
53.20546	0.9
55.05515	17.6
56.96577	5.9
57.03430	2.1
57.07084	5.5
59.04994	1.8
59.93106	1.1
65.03951	1.5
66.66761	1.2
67.05511	51.5
69.03427	1.8
69.07066	7.0
69.61278	4.8
69.61687	1.7
70.98119	2.3
71.05000	12.1
71.08636	2.1
75.00400	1.0
79.05482	8.2
81.07061	100.0
83.04974	1.7
83.08647	5.2
85.06546	12.3
91.05485	14.6
93.07022	5.5
95.04977	1.9
95.08627	9.8
97.06501	1.3
97.10175	1.9
98.21510	1.1
98.97585	4.3
101.06018	1.1
105.07026	8.2
105.38924	1.1
107.08590	4.9
109.06532	1.9
109.10144	8.4
111.04452	1.7
114.05575	1.2
116.98616	2.5
117.07013	4.5
118.96770	10.6
119.08575	5.5
121.10107	1.8
123.11713	16.3
127.03918	7.1
131.08601	7.8
133.10121	13.3
133.99089	3.3
136.95389	1.1
137.05980	3.4
138.44746	1.1
141.10381	1.0
142.07817	1.3
143.08606	1.1
145.06505	1.1
145.10135	12.0
145.58548	2.1
146.12500	1.1
151.11229	5.9
151.95886	1.0
154.59071	3.5
154.96498	3.1
155.08665	1.5
157.10249	1.9
159.11703	8.4
165.05484	1.6
168.60863	2.3
169.12288	3.0
173.13260	3.2
177.98071	10.4
182.07684	1.2
183.06538	4.3
183.11688	4.0
183.17480	1.2
187.13292	15.1
200.99722	2.0
201.09142	2.9
201.12761	9.0
201.14378	1.1
201.14751	1.6
201.16380	15.5
208.94783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03950	2.0
55.01875	1.3
55.05263	1.7
55.05515	27.3
57.03452	6.2
57.07071	3.5
60.05710	0.9
62.28027	0.9
64.94797	0.9
67.05511	29.2
69.03429	1.2
69.06725	1.9
69.07075	28.4
71.04996	8.2
71.08610	1.0
71.33710	1.2
79.05497	17.0
81.03382	0.9
81.07063	78.7
83.04996	7.4
83.08627	19.5
85.06551	13.4
91.05488	18.7
93.07053	22.6
95.08614	100.0
97.06542	18.8
97.10181	9.7
99.08108	6.8
101.06005	2.0
105.07036	27.5
107.08611	15.7
109.06549	5.1
109.10185	7.5
111.08092	4.3
111.98479	1.9
113.09624	1.8
115.07581	2.7
117.07010	1.5
119.08594	41.8
121.10149	12.7
123.08080	8.7
123.11656	1.5
127.07573	2.1
132.95839	3.1
133.10136	30.8
135.11705	26.8
137.09637	4.0
137.13261	31.8
141.09109	1.6
150.96895	1.8
151.11218	1.1
151.14854	1.2
155.97430	2.5
161.13269	94.5
168.40945	1.3
173.98506	2.9
179.10767	1.9
179.14320	53.2
197.11816	1.3
197.15388	14.6
198.18549	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	201.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21661	1.0
53.03931	1.2
53.20546	0.9
55.05515	17.6
56.96577	5.9
57.03430	2.1
57.07084	5.5
59.04994	1.8
59.93106	1.1
65.03951	1.5
66.66761	1.2
67.05511	51.5
69.03427	1.8
69.07066	7.0
69.61278	4.8
69.61687	1.7
70.98119	2.3
71.05000	12.1
71.08636	2.1
75.00400	1.0
79.05482	8.2
81.07061	100.0
83.04974	1.7
83.08647	5.2
85.06546	12.3
91.05485	14.6
93.07022	5.5
95.04977	1.9
95.08627	9.8
97.06501	1.3
97.10175	1.9
98.21510	1.1
98.97585	4.3
101.06018	1.1
105.07026	8.2
105.38924	1.1
107.08590	4.9
109.06532	1.9
109.10144	8.4
111.04452	1.7
114.05575	1.2
116.98616	2.5
117.07013	4.5
118.96770	10.6
119.08575	5.5
121.10107	1.8
123.11713	16.3
127.03918	7.1
131.08601	7.8
133.10121	13.3
133.99089	3.3
136.95389	1.1
137.05980	3.4
138.44746	1.1
141.10381	1.0
142.07817	1.3
143.08606	1.1
145.06505	1.1
145.10135	12.0
145.58548	2.1
146.12500	1.1
151.11229	5.9
151.95886	1.0
154.59071	3.5
154.96498	3.1
155.08665	1.5
157.10249	1.9
159.11703	8.4
165.05484	1.6
168.60863	2.3
169.12288	3.0
173.13260	3.2
177.98071	10.4
182.07684	1.2
183.06538	4.3
183.11688	4.0
183.17480	1.2
187.13292	15.1
200.99722	2.0
201.09142	2.9
201.12761	9.0
201.14378	1.1
201.14751	1.6
201.16380	15.5
208.94783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.90888	0.7
53.03942	1.4
55.01864	1.3
55.05504	2.4
56.96556	1.4
57.07063	1.1
59.04989	2.4
65.03939	0.7
67.05512	3.9
68.41125	0.7
69.03425	1.6
69.07071	2.3
69.61857	4.8
70.95862	8.1
72.93781	3.5
79.05493	5.0
81.07076	5.5
83.04989	1.0
87.04462	1.0
89.81236	0.9
91.05483	14.7
93.07043	18.6
95.04957	6.6
95.08588	2.8
97.06507	1.0
98.20750	1.4
98.97546	0.8
105.07031	30.3
107.04945	1.1
107.08598	54.4
109.06534	4.4
109.10181	6.2
110.55205	0.8
111.98471	11.2
114.05420	0.9
117.07004	1.0
119.01911	1.0
119.04926	2.2
119.06091	0.9
119.08573	6.2
121.06518	5.8
121.10162	1.2
122.35650	0.9
123.04443	2.4
123.08085	1.3
123.11691	2.7
129.99507	2.9
131.08585	1.7
132.95842	19.9
133.10133	56.3
135.08043	1.2
135.11696	58.3
137.05959	2.6
137.09592	4.8
140.12015	0.8
143.08560	1.0
146.07246	1.0
150.96880	13.4
151.11169	5.5
155.96210	1.5
155.97420	17.7
161.09624	29.4
171.75128	0.8
173.98502	17.0
179.10674	100.0
196.99968	1.0
197.11736	95.7
198.12114	1.1
198.18475	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03939	0.7
55.01875	2.6
55.05504	1.0
55.93513	0.9
56.96556	1.4
57.03437	0.7
57.07057	1.0
58.48049	0.4
59.04993	0.4
65.03927	1.5
65.89687	0.4
67.05511	2.5
69.03415	1.0
69.38505	0.4
70.58095	0.9
70.58450	0.7
70.95864	13.7
71.01359	0.6
72.93782	5.9
73.02918	20.8
79.05496	1.0
81.07063	1.4
83.04955	0.5
83.53316	0.5
84.08147	0.8
85.02883	0.5
88.96890	1.6
89.03940	0.4
90.94823	1.5
91.05486	3.1
93.03415	0.6
93.07047	1.1
95.04971	1.7
95.08616	1.4
97.02884	0.6
98.97578	0.7
103.05461	0.5
105.07028	1.2
107.04931	0.5
107.08610	2.7
108.02106	1.6
109.06503	0.5
109.10159	1.0
110.03656	2.0
111.04433	1.2
111.97717	0.9
111.98479	15.1
112.01597	0.6
113.96400	2.0
114.94800	1.3
119.04930	2.2
125.05992	20.4
129.99512	4.4
132.95836	31.2
133.02875	0.6
133.10138	2.6
135.11664	1.4
136.01585	0.6
137.05986	2.0
137.09619	0.6
141.05463	2.0
147.04369	0.4
149.06029	2.7
150.96892	26.4
151.03909	100.0
151.05003	7.8
151.07458	3.8
151.09460	1.4
152.04253	0.7
153.01088	0.6
155.97423	25.2
161.09631	1.0
168.97984	0.5
173.98492	28.8
174.03387	0.9
179.07039	23.3
179.10521	3.4
183.04134	1.7
191.99657	0.6
197.00165	0.9
197.08066	9.3
197.11708	3.2
198.18562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	3.8
55.01871	5.5
55.05510	23.7
56.96548	2.6
57.03442	7.2
57.07053	2.9
57.95864	0.9
65.03928	2.4
67.05505	70.3
69.03424	7.5
69.06723	1.7
69.07069	21.9
69.60224	6.8
70.06558	1.0
70.98126	1.3
71.01344	2.0
71.05000	5.7
71.95273	1.9
73.02888	1.7
75.46759	1.0
79.05496	40.2
81.02975	1.8
81.03416	20.8
81.07058	100.0
83.04987	17.8
83.08614	13.8
85.06544	6.4
89.06023	3.7
91.04894	1.2
91.05482	31.8
93.07045	65.1
95.04967	6.2
95.08607	34.9
95.09236	1.4
97.06539	13.6
97.10172	3.0
99.08056	1.8
105.07030	11.4
107.04961	3.4
107.08597	27.6
109.06503	3.9
109.10139	4.3
109.34971	1.0
110.10540	0.9
111.08085	7.0
113.09641	1.0
117.03360	2.9
117.07015	13.3
119.08561	3.1
121.06533	9.6
121.09315	1.5
121.10148	14.8
123.08028	1.3
123.11723	1.9
130.07861	1.1
131.04843	1.0
131.08578	14.8
133.02847	1.6
133.08614	1.1
133.10132	18.5
135.04414	2.9
135.08022	4.4
135.11691	23.6
137.13304	1.4
144.09331	1.2
145.02844	3.2
147.11678	1.6
149.05965	1.8
149.09648	2.0
149.13261	23.3
151.11156	2.7
159.11685	18.5
162.57782	1.1
163.03915	17.5
163.07655	1.0
167.08948	1.4
177.05507	6.0
177.12775	11.0
177.16365	7.8
195.06528	1.3
195.08430	1.4
195.10071	1.1
195.11749	3.0
195.13789	23.5
195.15694	3.7
195.17390	1.3
196.16978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
53.03950	2.2
55.01872	2.4
55.05513	10.2
56.96567	1.0
57.03439	2.6
57.07084	0.8
59.04984	0.7
59.51817	0.6
59.52143	0.6
65.03941	3.2
66.85802	0.7
66.89357	0.7
67.05507	100.0
69.03433	1.7
69.07069	14.2
69.07413	1.1
69.23044	3.4
69.23472	3.2
71.04992	7.6
73.02914	1.1
73.18147	0.6
77.03943	1.0
77.30103	0.7
78.02618	0.6
79.05495	34.1
81.03427	3.1
81.07059	96.4
83.04993	6.8
83.08624	9.7
85.06543	5.3
87.04501	0.8
91.04944	0.6
91.05482	21.4
93.07046	56.2
95.04969	5.9
95.08609	38.0
97.06534	16.1
97.07153	1.2
97.10175	2.3
99.04482	1.8
99.08095	3.1
105.07040	10.5
107.04980	1.5
107.07867	1.2
107.08599	23.1
109.06528	3.5
109.10162	3.0
109.98977	0.7
111.08084	8.1
113.06017	2.1
113.09652	0.9
117.03359	1.0
117.07019	14.6
119.08567	1.5
121.06543	3.1
121.10147	9.5
123.08088	1.2
123.11697	1.2
127.07664	0.7
129.07097	0.7
130.96291	1.4
131.08580	16.1
133.10127	19.7
135.04428	0.9
135.08072	4.1
135.11696	33.9
139.07584	0.8
139.11139	0.6
143.05544	0.6
145.02829	1.2
147.11650	1.1
148.07210	0.6
149.09624	2.0
149.13264	39.8
151.11197	7.0
152.06079	0.9
153.09149	1.0
153.97969	0.8
155.00249	0.6
159.11700	34.4
160.12032	0.9
163.03908	2.1
165.07021	0.9
167.08585	2.7
177.05466	3.1
177.12750	24.3
177.14256	1.4
177.16406	1.0
195.06468	0.7
195.08124	1.2
195.13818	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03942	12.8
55.01863	5.1
55.05270	3.1
55.05513	36.9
56.96573	16.0
57.03439	17.1
57.07065	7.3
65.03936	4.0
67.05505	48.1
69.03419	7.7
69.07072	49.8
70.06565	1.8
71.01355	2.7
71.04993	19.6
71.57205	2.4
71.95261	5.8
77.61210	2.4
78.61420	2.1
79.05494	64.2
81.03445	9.3
81.07058	85.2
83.04973	8.2
83.08625	15.8
85.02908	2.0
85.06541	6.7
89.03937	1.8
89.06026	5.1
91.05484	47.2
93.07045	100.0
95.04970	13.5
95.08596	32.0
97.06543	11.8
97.10152	2.4
100.02482	2.5
103.02263	2.1
103.05476	2.0
104.03110	2.4
105.04514	2.1
105.07038	29.4
107.04943	10.4
107.08601	60.0
109.06522	18.2
109.10137	3.3
111.08077	5.2
115.05444	2.9
117.03340	2.2
117.07026	21.3
119.08588	16.2
120.04429	2.3
121.06516	16.0
121.10153	25.2
122.05283	1.7
122.07269	4.5
123.08073	14.9
123.11709	1.8
125.05974	2.0
126.04339	3.1
129.07014	3.3
130.06410	1.7
130.07849	3.6
130.96286	3.5
131.00128	3.5
131.08563	30.0
133.02908	8.8
133.06496	18.3
133.10155	17.7
134.03633	1.7
134.04877	2.3
135.04378	9.1
135.08075	11.5
135.11679	24.3
137.09656	3.1
140.37849	2.1
143.05411	11.0
144.09340	6.2
145.02896	11.4
147.11705	2.6
148.97441	3.4
149.05995	5.4
149.09642	2.8
149.13263	19.0
151.11224	2.6
152.05959	11.0
153.97926	2.9
154.56252	2.2
159.11708	23.5
161.06447	7.3
163.03908	93.5
163.56738	2.0
165.07034	2.4
167.08592	2.7
171.98897	3.3
177.05473	14.1
177.12744	20.8
177.16405	4.4
189.04207	2.2
195.06505	4.3
195.08112	2.8
195.10074	2.4
195.11862	3.9
195.13805	20.3
195.15547	3.3
203.05989	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.37016	1.0
53.03931	3.9
55.01859	4.2
55.05271	1.3
55.05511	19.7
56.96556	4.9
57.03437	7.2
57.07067	2.6
65.03933	3.5
67.05507	77.0
69.03416	1.3
69.07069	21.3
69.88210	1.9
69.88628	3.8
70.98135	6.8
71.01354	1.5
71.04967	6.9
73.02893	1.2
77.03916	1.1
78.36527	1.0
79.05495	48.2
81.03420	24.7
81.07059	100.0
83.04983	18.3
83.08621	12.6
85.02910	1.5
85.06547	5.7
91.05483	34.4
92.98267	1.2
93.07046	72.5
95.04960	6.5
95.08608	33.2
97.06535	13.6
97.10172	1.4
99.08071	1.9
105.07038	11.4
107.04963	2.1
107.08596	28.2
109.06524	5.0
109.10143	3.9
111.08095	6.9
112.09252	1.1
113.06002	1.2
113.09628	1.2
117.07028	14.2
119.08568	3.6
121.06499	8.4
121.09335	1.2
121.10155	17.8
123.08057	1.5
123.11687	2.0
131.08569	16.3
133.10139	21.4
135.08070	4.5
135.11684	25.9
142.06447	1.9
145.10103	2.8
149.09621	1.7
149.13263	24.2
151.06960	4.1
151.11288	1.4
152.97646	1.1
153.57245	1.1
159.11693	18.4
160.07510	1.2
163.03897	3.9
163.11203	2.5
167.10004	1.7
167.31992	1.1
177.05431	1.4
177.12732	9.4
195.13812	20.7
195.17415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03953	4.9
55.01869	3.3
55.05261	1.8
55.05513	19.8
56.96562	3.0
57.03437	5.6
57.07089	1.6
65.03941	1.6
67.05508	75.0
69.07069	21.1
70.73736	2.8
70.98112	2.8
71.01385	1.2
71.05016	4.6
73.83759	0.9
77.03947	1.7
79.05496	41.2
81.03419	13.3
81.07061	100.0
83.04983	11.3
83.08629	15.1
85.02897	1.2
85.06559	5.2
91.05486	33.8
91.41549	0.9
93.07051	56.4
95.04972	6.4
95.08614	29.6
97.06524	11.1
97.10182	1.3
99.08102	2.2
105.04517	1.4
105.07040	10.3
107.04978	1.7
107.07883	1.5
107.08603	27.9
109.06528	3.6
109.10169	3.6
110.98915	0.9
111.08088	5.1
117.07034	12.8
119.08580	2.6
121.06522	6.8
121.10134	10.6
123.08087	1.2
123.11713	2.6
123.61636	1.1
126.06058	1.2
131.08571	13.2
132.06036	1.3
133.02864	1.1
133.10138	25.1
135.08037	2.8
135.11696	26.3
145.06935	1.1
149.09668	1.6
149.13271	24.5
151.07002	2.1
151.11172	4.6
159.11699	17.4
163.03935	5.1
167.09921	1.0
177.05559	1.8
177.12761	12.1
195.12059	0.8
195.13821	21.3
195.15555	0.9
207.10747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.62940	1.6
53.03938	6.2
55.01861	5.6
55.05511	20.0
56.96558	2.4
57.03436	3.4
57.07070	2.6
65.03945	1.8
67.05505	75.8
69.03437	2.9
69.07070	20.2
71.04978	6.2
71.26588	2.1
71.95271	4.5
79.05069	2.9
79.05492	43.9
81.03423	42.0
81.07058	100.0
83.04987	17.6
83.08634	9.1
85.06548	4.2
87.04453	3.0
89.03883	2.0
89.06046	12.3
91.05479	36.9
93.07046	61.7
95.04971	8.2
95.08614	33.5
97.06525	19.0
99.08112	2.8
105.07025	14.0
107.04946	3.4
107.08598	26.2
109.06522	3.9
109.10164	5.3
111.08086	5.6
117.03436	2.1
117.07007	14.3
119.08615	2.6
121.06532	15.5
121.10136	14.4
125.69295	2.0
130.57042	1.6
131.08580	17.4
133.02823	2.7
133.08607	2.9
133.10144	25.0
135.04399	4.1
135.08055	8.4
135.11700	22.9
145.02832	3.8
149.05936	2.1
149.13260	22.1
151.11153	3.3
159.11714	17.3
163.03920	24.6
177.05466	8.0
177.12772	17.2
177.16417	2.4
195.06476	2.4
195.11909	3.2
195.13806	30.1
195.15773	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	3.5
54.54859	1.0
55.01862	3.6
55.05516	20.4
56.96332	1.4
56.96572	16.2
57.03448	6.4
57.07068	3.5
65.03922	2.4
67.05509	72.4
68.05840	1.0
69.07074	22.9
70.80972	1.9
70.81305	1.4
70.98123	5.5
71.01364	1.7
71.04992	7.8
71.95268	2.4
77.03513	1.0
77.03928	1.6
79.05499	44.1
79.05962	2.2
81.03429	14.4
81.07062	100.0
82.07399	1.3
83.04994	13.7
83.08625	11.8
85.06544	4.4
88.99148	1.2
89.06009	1.2
91.05486	36.1
93.07050	63.6
95.04971	7.1
95.08609	33.0
97.06528	13.4
97.10185	1.4
99.08118	2.5
100.02505	1.0
105.07037	11.2
107.04929	1.8
107.08606	29.8
109.06521	3.7
109.10168	6.3
111.08071	6.4
113.06094	1.3
113.09640	1.0
117.03340	1.1
117.07018	13.5
119.08571	4.4
121.06519	5.3
121.10144	11.8
123.08105	2.2
123.11731	3.6
126.05972	1.7
130.96342	1.2
131.08588	14.2
133.10144	28.1
135.04411	1.7
135.08054	3.1
135.11702	27.1
142.06448	1.8
145.02837	2.0
146.07637	1.6
149.13264	25.0
151.07028	5.6
151.11189	5.0
152.05930	2.6
157.46370	1.2
159.11703	16.6
160.07516	3.7
161.06534	2.1
163.03899	14.9
171.58299	1.5
171.98967	1.6
177.05470	3.8
177.12758	12.6
177.16266	1.1
195.11955	2.2
195.13828	23.6
195.15564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03950	4.1
53.20731	0.9
55.01871	4.0
55.05269	1.4
55.05513	20.8
57.03443	7.8
57.07061	2.5
65.03938	3.0
67.05508	74.3
69.03421	2.8
69.07069	21.0
69.27378	8.1
70.98145	0.9
71.01353	1.9
71.04999	7.1
71.95276	1.1
72.78349	0.7
77.03925	1.2
79.05499	48.6
81.03423	23.5
81.03891	0.6
81.07061	100.0
83.04986	18.7
83.08621	11.5
85.02927	2.1
85.06543	4.9
89.06007	1.4
91.04898	1.3
91.05482	31.8
93.07048	67.0
94.07388	1.0
95.04970	7.2
95.08611	34.8
97.06537	15.7
97.10164	2.2
99.04452	1.0
99.08077	3.2
105.04516	1.6
105.07035	11.7
107.04942	3.0
107.08598	28.9
109.06503	3.8
109.10152	5.4
111.08066	6.4
113.09619	1.2
117.03395	1.1
117.07030	14.0
119.08572	4.5
121.06494	8.4
121.10140	18.3
123.08067	0.8
123.11681	1.6
125.09618	1.3
130.07813	0.7
131.08569	15.1
133.10127	22.4
135.04320	1.1
135.08069	4.4
135.11696	27.2
145.02821	2.4
145.10130	2.6
147.11646	1.4
149.05971	1.1
149.09628	1.0
149.13277	24.3
151.11162	3.7
159.11703	18.0
163.03918	8.6
163.11195	3.2
165.07144	1.0
167.41040	0.8
177.05463	3.9
177.12766	14.2
177.16347	1.4
195.06580	1.2
195.13829	22.7
195.15610	1.4
195.17467	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03948	5.3
54.28556	0.8
55.01873	5.6
55.05517	21.0
56.96571	16.9
57.03444	6.7
57.07071	2.6
58.48737	0.8
58.96169	1.7
59.05000	0.9
60.95829	1.3
61.67199	0.9
64.25033	0.9
65.03941	2.8
67.05508	72.5
69.03428	2.5
69.07069	23.9
70.98125	6.2
70.98849	0.8
71.01356	2.2
71.04998	6.1
71.08612	1.0
71.21364	1.9
71.95260	1.6
76.92480	0.9
77.44601	0.9
79.05500	42.9
81.03429	9.5
81.07062	100.0
82.07402	1.7
83.04989	12.5
83.08627	15.8
85.06532	4.6
88.01794	1.5
88.99171	1.6
91.05486	37.8
93.07053	60.6
94.07397	1.2
95.04986	7.4
95.08611	31.0
97.06538	13.4
97.10176	2.2
97.99203	1.1
99.04459	1.0
99.08113	2.3
103.05457	1.2
105.04523	1.5
105.07043	12.3
107.05022	3.0
107.08601	30.0
109.06526	4.6
109.10145	5.5
111.08102	6.8
115.02438	1.0
116.05755	1.0
117.03336	1.0
117.07037	12.2
119.08572	4.3
121.06525	4.2
121.10150	12.5
123.06570	2.3
123.08079	2.0
123.11716	2.9
125.05999	1.1
125.09671	1.0
129.03899	0.9
131.00134	1.4
131.08586	12.7
133.02823	1.3
133.10143	24.9
135.04445	2.7
135.08069	3.8
135.11699	25.1
139.11101	1.0
141.55792	1.4
142.06496	1.5
142.07486	1.0
143.05377	2.7
145.02870	2.8
147.11632	1.0
149.06068	1.1
149.09671	2.2
149.13271	23.4
150.56392	2.1
151.06917	3.1
151.11223	5.8
151.57265	0.9
152.05916	5.2
153.09117	1.1
153.56828	1.0
159.11684	17.7
160.07610	4.5
161.06454	2.7
162.57707	1.5
163.03914	16.7
167.09955	2.1
167.14333	0.9
171.58261	0.8
174.08093	1.0
177.05428	4.7
177.12761	12.3
177.16447	1.4
184.24451	0.9
187.08131	1.2
195.06586	1.3
195.08183	1.3
195.13834	21.5
195.15587	1.6
207.10858	1.6
213.09764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	3.4
55.01862	3.3
55.05270	1.0
55.05513	14.5
55.78221	0.9
56.96575	5.8
57.03440	6.3
57.07069	2.4
59.04983	1.2
60.87783	0.9
65.03939	2.1
67.05506	57.1
67.87167	0.9
68.96326	1.3
69.03419	2.1
69.07067	18.0
70.06574	0.9
71.01348	1.8
71.04992	7.7
71.56531	1.0
71.56936	0.9
71.74931	0.9
71.95258	3.5
73.02887	0.9
79.05495	37.9
81.03432	8.2
81.07059	100.0
82.01467	1.0
82.94352	0.8
83.04985	10.8
83.08617	11.2
83.17276	0.8
85.02882	1.4
85.06535	5.1
89.03918	1.5
89.05999	1.8
91.05482	24.9
93.07047	56.6
95.04967	5.6
95.08604	30.6
97.06530	11.6
97.10168	1.8
97.20316	0.9
99.08051	2.6
100.02483	1.2
103.05491	1.1
105.04524	1.0
105.07017	9.8
107.04935	2.6
107.07864	1.6
107.08593	27.7
109.02852	1.5
109.06523	4.5
109.10183	5.4
109.98943	1.0
111.04456	1.1
111.08097	5.3
113.09617	1.8
117.03351	1.4
117.07014	10.1
119.08569	2.9
121.06505	3.7
121.10147	14.0
123.08086	1.9
123.11697	1.2
124.04574	1.1
128.00021	0.9
130.96281	2.4
130.98924	1.0
131.00142	1.9
131.08577	12.5
133.02853	2.4
133.06429	1.3
133.10136	16.5
135.04369	3.4
135.08095	4.8
135.10687	1.7
135.11699	28.6
136.57990	3.6
138.83670	0.9
142.06458	1.0
142.58055	2.0
145.02849	5.3
145.03856	0.9
145.58536	1.7
147.11641	1.6
148.07344	1.1
148.97336	2.2
149.01144	1.2
149.05937	2.4
149.09596	3.1
149.13261	21.6
149.49879	0.9
149.97163	0.9
150.09123	0.9
151.11229	1.7
151.58533	3.6
153.97928	1.7
159.11699	18.6
163.03911	30.6
171.98911	1.2
174.07939	1.1
177.05496	6.2
177.12750	14.3
177.16412	3.3
195.02876	2.0
195.06551	2.0
195.11681	3.2
195.13797	18.6
195.15727	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	4.0
55.01859	3.4
55.05518	19.1
56.96580	1.1
57.03439	7.1
57.07068	2.9
60.06187	1.0
65.02505	1.0
65.03947	2.7
67.05508	72.5
69.03433	3.5
69.06724	2.3
69.07073	23.3
71.01344	3.2
71.04989	6.9
71.08603	1.4
73.02915	1.6
79.05499	42.8
81.02980	1.7
81.03425	19.8
81.07061	100.0
83.04979	18.1
83.08625	14.5
85.02895	1.3
85.06548	5.3
87.04453	1.2
89.06053	2.2
91.05483	31.4
93.07050	66.0
95.04988	6.2
95.05470	1.1
95.08613	41.5
97.06541	15.1
97.10175	3.0
99.08105	2.5
105.07039	11.1
107.04958	4.1
107.08605	38.0
109.06515	3.9
109.10168	6.3
111.08089	5.7
113.09654	2.1
117.03393	1.4
117.07025	12.3
119.08572	4.7
121.06504	8.2
121.10154	26.9
123.08074	1.3
123.11743	2.2
131.08591	13.8
133.10143	20.4
135.04419	2.2
135.08078	3.6
135.11714	26.7
137.13249	3.4
145.02866	3.1
147.11760	2.0
149.05971	1.4
149.09694	2.0
149.13268	25.8
151.11226	3.7
159.11694	18.9
163.03915	16.1
167.08513	1.1
177.05522	6.0
177.12773	13.6
177.16400	15.5
195.02841	1.6
195.06622	1.4
195.08548	1.1
195.11960	2.3
195.13815	22.7
195.15588	1.1
195.17470	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	194.1177
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
53.03959	0.4
55.05516	0.7
56.05047	0.5
56.96572	2.1
58.06596	2.6
60.04535	0.8
67.05499	0.7
68.05021	0.8
69.03430	1.5
69.07064	0.7
70.06596	1.9
70.67926	0.9
72.08165	0.4
73.02914	0.3
79.05488	5.2
80.05025	0.6
80.06277	0.6
81.03417	0.6
81.07063	2.5
83.08587	0.4
84.08160	0.6
85.02884	0.4
86.09696	0.4
87.04469	0.7
91.05490	1.4
93.05823	0.5
93.07059	1.2
94.06548	0.6
95.04936	0.5
97.02875	0.5
98.06047	0.8
98.97598	2.3
100.85718	0.3
102.05541	4.6
103.05464	8.7
105.07031	4.8
106.06570	1.2
106.07368	1.6
107.04961	6.3
107.08593	0.8
108.04453	0.7
108.08131	0.4
109.02831	0.5
109.98901	0.3
114.05531	0.7
116.98592	0.7
118.06554	0.5
120.08103	1.2
120.08871	0.4
121.06480	0.7
121.08901	0.4
122.09721	0.5
128.02304	0.6
131.04933	6.2
131.08569	0.8
132.08057	0.5
133.08865	7.9
134.05942	0.6
134.06837	1.6
134.09624	0.6
135.11664	0.4
136.07587	0.7
145.02847	0.5
146.09628	0.3
148.11209	100.0
148.97353	0.4
149.01241	0.5
149.05988	2.1
149.11725	0.7
152.07057	0.7
153.97836	0.4
158.99649	0.8
159.11661	0.5
162.05264	0.7
162.06371	1.3
162.12257	0.3
163.07472	0.5
164.07101	1.9
165.07819	0.5
166.08656	1.2
166.12280	0.6
171.06041	0.4
174.03592	0.7
176.10660	0.3
177.00699	0.5
177.05409	0.6
178.08620	0.6
182.05196	0.5
189.00632	0.5
192.10242	1.0
194.08113	3.5
194.11766	52.8
194.15379	6.0
194.19034	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	194.1177
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
53.03939	0.8
54.04317	0.5
55.01880	0.8
55.05513	1.3
56.05030	1.3
56.96568	2.6
58.06584	0.7
61.70285	0.5
67.05506	1.7
68.05045	3.1
69.03439	1.4
69.07063	0.7
69.84258	1.7
70.06594	6.9
79.05495	6.2
80.05024	1.1
80.06265	2.0
81.07062	6.3
84.08137	0.9
86.09718	1.0
87.04449	0.9
91.05483	1.7
93.05783	2.4
93.07044	3.0
94.06570	2.3
95.04957	0.7
95.07323	0.5
95.08623	1.2
96.08123	0.8
96.98270	0.5
97.06539	0.9
98.06065	1.3
98.97586	2.0
102.05538	2.0
103.05473	5.3
105.07034	5.0
106.06556	4.2
106.07318	0.9
107.04959	3.4
107.07353	1.0
107.08620	1.0
108.08118	1.7
110.09660	0.5
111.29680	0.4
114.05543	2.0
116.98628	0.9
118.06547	1.0
119.07317	1.5
119.08489	0.8
120.08118	4.7
121.06576	0.8
121.08920	1.2
121.10152	1.4
122.09655	2.8
127.84641	0.5
130.96342	0.5
131.04951	1.9
131.08580	2.8
132.08112	0.6
133.08893	5.0
134.06863	1.3
134.09647	3.3
135.11732	0.6
136.07524	0.5
137.04745	0.8
146.09607	0.7
148.11215	75.3
149.01198	0.7
149.05989	2.1
149.12000	2.2
152.07074	0.9
153.97791	0.8
158.99673	0.7
162.06473	0.6
164.07082	10.2
165.07855	1.9
166.08621	2.3
166.12283	2.5
170.99658	0.5
176.07173	0.5
176.10690	0.9
177.05475	0.9
178.08617	2.1
179.09306	0.9
192.10201	4.3
194.08122	4.0
194.11775	100.0
194.15379	7.5
194.19025	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	2.6
55.05509	12.2
56.96560	2.3
57.07085	2.8
65.03930	3.0
65.22933	1.5
67.05511	12.4
69.03432	1.7
69.06734	2.0
69.07072	31.3
71.01500	3.8
71.01843	2.1
71.04994	12.1
79.05505	10.8
81.03404	6.9
81.07056	24.4
83.08619	4.4
85.06555	11.4
86.39939	1.6
91.05482	12.7
92.96152	1.4
93.06475	2.4
93.07048	33.3
95.04972	39.1
95.08604	23.0
97.06532	4.0
97.10184	9.1
99.08091	5.7
99.39444	1.7
103.49537	1.6
105.07019	13.2
106.68878	1.8
107.08597	32.2
109.06522	100.0
109.10168	14.4
111.08071	7.3
111.11714	4.0
119.08581	34.6
121.10136	9.9
123.08057	8.6
123.11717	22.0
128.98618	2.0
129.06982	1.7
131.08597	2.4
133.10143	25.7
135.11682	38.0
137.09608	13.3
147.11705	4.8
149.13263	10.2
151.11194	5.2
157.10152	1.9
175.11136	2.9
175.14836	50.8
193.04941	4.5
193.12215	6.8
193.15884	83.6
196.52516	1.4
196.85736	1.6
202.94011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02369	1.3
52.36333	1.0
53.03945	4.7
55.01865	5.0
55.05513	15.1
56.96566	7.4
57.03443	7.7
57.07063	5.7
59.04989	1.8
65.03925	2.9
67.05505	33.9
69.03437	5.9
69.06725	1.4
69.07069	19.3
70.06590	1.1
71.04990	5.2
71.57233	1.4
72.08147	1.5
79.05061	2.0
79.05495	29.9
81.03421	46.2
81.06580	2.3
81.07061	44.6
83.04975	5.3
83.08620	13.7
85.02913	1.7
85.06551	3.4
91.05480	43.8
93.07040	39.2
95.01363	2.5
95.04977	28.0
95.08608	38.7
97.02863	2.6
97.06528	7.7
97.10183	1.7
98.97587	4.4
99.08093	2.0
103.05467	6.8
105.07034	73.5
107.04951	5.2
107.08592	36.2
109.02872	1.4
109.06516	11.2
109.10155	30.1
110.97565	3.6
111.04456	1.6
111.08071	2.9
112.80861	1.1
115.05431	7.5
116.98650	2.0
117.07027	4.1
118.04213	2.2
119.04913	2.3
119.08584	100.0
121.06516	2.4
121.10146	23.2
123.04424	3.2
123.08082	9.5
123.11711	8.5
125.09694	1.8
128.06209	1.4
128.98631	3.5
129.06979	9.0
131.00127	1.6
131.08577	12.8
132.05734	1.7
133.02872	4.5
133.06506	26.9
133.10132	91.8
135.08058	3.0
135.11708	27.5
137.05994	2.9
137.09628	12.5
142.07758	3.3
143.06100	1.9
145.10124	4.8
146.99651	1.5
147.04410	2.8
147.08078	6.7
147.09094	1.2
147.10515	1.7
147.11694	34.1
149.01274	2.3
149.02359	4.6
149.06003	1.9
149.09665	7.4
149.13266	11.3
150.06697	1.2
151.07512	2.4
151.11154	2.7
151.14809	2.9
157.10086	6.8
160.12485	2.7
161.05986	21.9
163.14861	1.4
165.09077	1.4
165.12755	2.2
165.16426	1.4
166.05902	1.1
175.03934	1.9
175.07564	3.1
175.11275	12.1
175.14827	99.4
177.95195	1.3
178.02640	2.6
189.04359	1.8
193.04961	20.8
193.06580	1.6
193.06944	1.6
193.08612	15.5
193.10213	1.7
193.10532	2.3
193.12224	21.0
193.15898	57.7
194.15468	2.0
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	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.01853	1.4
55.05518	6.2
56.96564	3.1
57.03436	2.4
57.07076	3.2
59.04986	2.4
65.03957	1.1
67.05173	1.2
67.05511	13.8
69.03442	2.6
69.07071	11.1
71.04988	1.8
71.21629	2.2
79.05495	7.3
81.03426	10.7
81.07069	14.0
83.04971	3.6
83.08620	4.5
85.06538	2.9
91.05488	14.9
93.07043	11.1
95.04985	8.4
95.08054	2.0
95.08615	30.2
97.06547	2.0
103.05458	2.3
105.07031	27.0
107.04960	2.2
107.08602	14.0
109.06532	5.7
109.10162	29.1
110.97570	2.1
111.08095	2.4
115.05463	3.2
117.07029	3.0
119.08590	62.6
121.10160	8.0
123.08059	5.5
123.11696	3.6
125.09645	1.1
128.98592	2.2
129.07018	1.7
131.08574	4.5
133.02802	1.6
133.06519	9.5
133.10143	70.3
134.10794	1.0
135.10725	2.2
135.11705	27.0
137.06033	1.3
137.09631	12.1
145.10110	2.8
147.04366	1.0
147.11700	24.4
148.92317	1.0
149.02408	1.3
149.09630	1.8
149.13293	7.6
151.11208	1.6
151.14835	7.0
157.10120	2.4
159.11700	1.6
160.12468	2.9
161.06012	10.0
175.11220	3.5
175.14842	100.0
193.05013	7.0
193.08574	8.6
193.10538	1.0
193.12213	6.5
193.15878	27.2
204.75832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
52.36333	1.0
53.03945	4.7
55.01865	5.0
55.05513	15.1
56.96566	7.4
57.03443	7.7
57.07063	5.7
59.04989	1.8
65.03925	2.9
67.05505	33.9
69.03437	5.9
69.06725	1.4
69.07069	19.3
70.06590	1.1
71.04990	5.2
71.57233	1.4
72.08147	1.5
79.05061	2.0
79.05495	29.9
81.03421	46.2
81.06580	2.3
81.07061	44.6
83.04975	5.3
83.08620	13.7
85.02913	1.7
85.06551	3.4
91.05480	43.8
93.07040	39.2
95.01363	2.5
95.04977	28.0
95.08608	38.7
97.02863	2.6
97.06528	7.7
97.10183	1.7
98.97587	4.4
99.08093	2.0
103.05467	6.8
105.07034	73.5
107.04951	5.2
107.08592	36.2
109.02872	1.4
109.06516	11.2
109.10155	30.1
110.97565	3.6
111.04456	1.6
111.08071	2.9
112.80861	1.1
115.05431	7.5
116.98650	2.0
117.07027	4.1
118.04213	2.2
119.04913	2.3
119.08584	100.0
121.06516	2.4
121.10146	23.2
123.04424	3.2
123.08082	9.5
123.11711	8.5
125.09694	1.8
128.06209	1.4
128.98631	3.5
129.06979	9.0
131.00127	1.6
131.08577	12.8
132.05734	1.7
133.02872	4.5
133.06506	26.9
133.10132	91.8
135.08058	3.0
135.11708	27.5
137.05994	2.9
137.09628	12.5
142.07758	3.3
143.06100	1.9
145.10124	4.8
146.99651	1.5
147.04410	2.8
147.08078	6.7
147.09094	1.2
147.10515	1.7
147.11694	34.1
149.01274	2.3
149.02359	4.6
149.06003	1.9
149.09665	7.4
149.13266	11.3
150.06697	1.2
151.07512	2.4
151.11154	2.7
151.14809	2.9
157.10086	6.8
160.12485	2.7
161.05986	21.9
163.14861	1.4
165.09077	1.4
165.12755	2.2
165.16426	1.4
166.05902	1.1
175.03934	1.9
175.07564	3.1
175.11275	12.1
175.14827	99.4
177.95195	1.3
178.02640	2.6
189.04359	1.8
193.04961	20.8
193.06580	1.6
193.06944	1.6
193.08612	15.5
193.10213	1.7
193.10532	2.3
193.12224	21.0
193.15898	57.7
194.15468	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03931	7.8
55.01858	5.1
55.05506	12.6
56.05027	3.4
56.96553	5.3
57.03440	16.8
59.04998	12.0
60.04514	6.6
60.16757	1.6
64.25816	1.8
65.03938	2.9
67.05518	19.3
69.03439	12.7
69.07047	5.6
69.27675	17.9
70.06553	2.0
71.04964	7.9
73.02909	2.5
79.05493	24.2
79.58636	1.6
80.05005	2.1
81.03421	24.3
81.07060	53.6
81.89903	1.7
83.04977	21.5
83.08627	4.6
84.04526	2.5
84.08145	60.7
85.02902	7.0
85.06516	5.8
91.05487	25.7
93.07036	12.3
95.04977	22.8
95.08613	9.6
96.08150	2.1
97.02856	2.8
97.06524	4.3
98.97571	8.7
103.05452	6.7
105.07034	55.9
107.04964	4.9
107.08596	20.1
109.06524	83.8
109.10166	9.9
110.07265	2.2
110.97591	4.0
111.04427	1.8
111.08101	3.1
112.11252	2.6
115.05457	5.9
116.98626	1.7
117.07002	2.5
118.04153	4.3
118.11288	2.1
119.01885	2.4
119.04895	3.8
119.08586	52.9
121.06503	7.8
121.10136	6.0
123.04433	2.9
123.08070	15.8
123.11703	5.8
128.98586	3.4
129.05489	2.6
129.07004	5.0
131.08571	4.7
133.02850	4.9
133.06490	28.6
133.10149	27.5
133.11731	2.0
135.08051	22.9
135.11606	3.6
137.05968	14.5
137.09624	18.0
143.05974	2.2
145.06491	5.3
145.10133	2.8
145.11763	3.1
146.07265	3.2
146.97401	2.7
147.04442	4.2
147.08044	8.9
147.11691	29.7
149.09631	4.8
151.07610	1.9
151.11186	26.1
154.12262	3.4
156.13791	2.0
157.10139	4.2
158.99646	2.9
160.08839	26.3
161.06110	34.2
163.12830	6.4
165.09103	2.8
165.12738	7.8
172.13374	13.5
175.03903	2.1
175.11189	98.5
175.14766	6.3
177.00687	2.0
178.02681	4.1
184.13292	13.0
193.04953	22.8
193.08627	23.0
193.12247	100.0
193.15892	4.1
194.15379	3.5
206.15346	4.2
210.18587	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03948	6.4
55.01878	5.5
55.05260	1.1
55.05512	13.1
56.96551	1.6
57.03435	4.8
59.11616	0.8
65.03938	3.8
67.05508	33.8
69.03420	3.2
69.07064	8.5
69.48174	6.5
71.05005	5.7
72.47523	0.8
77.03897	1.3
79.05496	36.8
81.03420	100.0
81.07062	24.4
83.04990	7.4
83.08628	13.7
85.02905	1.4
85.06534	2.0
91.05486	56.8
93.06473	1.8
93.07046	34.8
95.04974	49.5
95.08619	6.6
97.02911	2.1
97.06545	6.7
98.21452	1.9
99.08166	1.1
103.05466	2.0
105.04550	1.5
105.07035	36.9
107.04958	10.6
107.08568	4.9
109.06511	7.7
109.10152	1.9
110.97546	1.2
111.04443	1.7
111.08094	3.0
113.06004	2.0
115.05439	3.2
117.07023	2.0
119.04943	1.7
119.08588	24.0
121.06491	3.2
121.10146	5.4
123.08047	2.1
129.07007	14.9
131.08580	20.2
133.06512	10.0
133.10136	61.8
137.09624	1.7
142.07785	3.8
143.06032	1.0
145.05064	3.8
147.08060	8.6
147.11687	23.7
149.09618	18.7
151.11246	1.8
154.05560	2.2
157.10132	22.9
157.11447	1.0
157.67906	0.8
161.06023	5.7
165.12753	2.6
175.11197	33.7
175.12737	1.6
175.14825	2.0
191.26436	0.8
193.03369	1.2
193.04970	5.2
193.08606	3.1
193.12259	35.9
193.15880	2.8
196.92476	0.9
203.37978	0.8
205.66928	0.9
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
53.03944	6.9
55.01863	7.3
55.05505	16.2
56.96569	12.2
57.03440	3.7
57.28212	2.3
65.03939	6.6
67.05506	81.6
69.03424	8.3
69.07069	15.8
69.60847	2.0
70.01635	2.1
70.76726	1.9
70.98122	4.8
71.04999	7.9
71.57327	3.4
79.05492	68.2
81.03419	47.3
81.06578	5.0
81.07057	77.8
83.04990	12.1
83.08611	11.7
85.06532	3.3
91.05484	100.0
93.07048	54.3
95.04974	33.1
95.08604	32.9
97.02891	19.2
97.06520	16.8
99.08088	4.3
103.05490	4.7
105.07035	80.2
107.02521	2.7
107.04964	9.6
107.08612	17.4
109.06522	20.4
109.10137	6.2
110.97559	2.7
111.04476	4.0
111.08083	4.0
113.05981	2.9
115.05470	7.3
117.07072	3.0
119.07703	3.3
119.08582	51.8
121.10140	17.6
123.04472	2.7
123.08064	7.8
125.05991	3.0
128.04993	2.4
128.98601	6.0
129.07014	22.6
131.08569	24.8
133.02875	3.8
133.06505	12.7
133.10129	74.0
137.05959	5.4
141.05742	3.0
142.07747	4.4
145.10193	3.4
146.99664	3.9
147.08029	9.7
147.11693	72.8
149.02353	29.0
149.07173	4.8
149.09627	8.5
150.06187	12.2
157.08864	2.0
157.10115	42.4
158.07765	4.7
159.06706	4.8
161.05946	5.5
161.57045	3.8
165.12732	9.4
175.03978	2.6
175.11185	56.6
175.14696	3.9
178.02666	4.5
178.07785	3.7
179.10120	5.0
193.04970	38.7
193.08588	5.1
193.10365	4.9
193.12242	62.8
193.15919	10.0
193.17572	2.9
199.06494	2.9
213.07913	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02384	1.1
53.03951	9.1
55.01867	5.1
55.05513	10.0
56.96539	1.5
57.03428	3.3
60.90854	0.9
65.03941	3.1
67.05505	38.4
69.03419	2.1
69.07071	8.3
70.98103	2.4
71.05000	8.7
71.07897	1.9
71.08241	2.1
77.03937	1.5
79.05495	55.2
81.03422	100.0
81.07057	23.9
83.04977	6.6
83.08617	13.7
85.06535	3.1
91.04898	2.0
91.05484	75.5
93.07046	79.8
95.04975	46.3
95.08601	3.4
97.02869	2.1
97.06507	3.4
97.10190	1.2
105.04528	2.4
105.07036	28.9
107.04962	10.1
107.08594	5.5
109.06513	7.2
111.04450	1.7
111.08082	4.1
113.05965	1.9
115.05426	2.3
116.06188	1.1
117.07012	1.7
119.07783	2.0
119.08585	21.5
121.06510	2.0
121.10137	4.1
123.08076	1.2
127.07555	2.1
128.06206	1.0
129.07010	21.8
131.08583	20.7
133.06517	2.7
133.10136	60.8
137.09578	1.3
142.07785	5.1
146.67622	1.1
147.08067	6.7
147.11676	16.2
149.09660	4.6
150.06194	2.6
151.07437	1.0
157.10126	24.7
175.11185	19.6
188.61026	1.0
193.04939	2.0
193.12273	26.3
193.14058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03953	3.4
55.01875	3.1
55.05302	0.5
55.05517	6.5
56.96562	5.7
57.03435	3.9
61.45715	0.5
65.03941	1.5
66.59665	0.5
67.05506	22.8
69.03426	2.6
69.07078	3.1
69.53213	0.9
69.53619	3.9
70.98115	1.2
71.04988	1.9
73.61356	0.6
79.05495	17.3
79.58639	0.5
81.03419	100.0
81.07061	12.1
83.04993	4.1
83.08620	12.2
85.06557	1.0
88.99187	0.5
91.05488	19.7
93.07039	11.8
95.04972	38.6
95.08604	4.2
97.02898	1.8
97.06541	2.2
97.10178	1.2
97.99188	2.1
99.08132	0.9
99.82902	0.5
103.05486	0.9
105.04522	0.7
105.07037	14.2
107.04958	9.0
107.08613	4.7
109.06518	4.5
109.10187	1.7
110.97588	1.7
111.04474	1.7
111.08077	2.8
115.05464	2.0
115.66559	0.5
116.00186	0.6
116.06199	0.7
117.07018	1.4
119.04954	1.3
119.08585	13.7
120.05251	0.6
121.06473	2.5
121.10127	3.2
123.08104	1.1
125.09655	0.6
128.06245	0.8
128.98610	1.8
129.06137	0.9
129.07025	7.6
131.08566	7.8
133.02881	1.4
133.06497	4.9
133.10135	9.3
135.11690	1.3
137.06055	0.9
137.09618	2.0
139.03958	0.7
142.07780	2.3
145.10155	1.5
146.97418	0.6
146.99622	1.1
147.04453	0.8
147.08035	3.6
147.11700	6.4
149.02368	1.4
149.06403	0.6
149.09634	4.4
150.06200	1.3
154.59154	0.5
157.10124	8.3
159.06760	0.5
161.02412	0.5
161.05965	2.0
163.11200	1.9
164.11549	2.1
165.05486	1.0
165.12781	1.2
169.99026	0.7
175.03955	0.6
175.11198	9.0
175.14851	0.6
178.02673	0.5
193.04964	6.0
193.08589	1.2
193.12241	12.7
193.14049	0.8
193.15886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01571	0.3
51.02391	0.3
53.03945	3.2
54.18417	0.3
55.01878	2.9
55.05263	0.5
55.05515	6.9
56.96565	1.1
57.03434	2.5
57.07069	0.4
59.04992	0.3
65.03940	1.5
67.05507	21.0
69.03439	3.5
69.07064	3.4
71.01358	0.7
71.04993	1.5
71.57075	0.4
77.03912	0.5
78.02159	0.3
79.05496	16.3
81.03420	100.0
81.07059	11.4
83.01330	0.4
83.04984	4.5
83.08624	13.8
83.09120	0.7
85.06541	0.8
91.05485	17.7
93.07044	8.3
95.04971	39.2
95.08608	2.4
97.02905	2.2
97.06541	1.3
97.10155	0.8
98.06076	0.3
98.67531	0.3
98.97630	0.4
99.08086	0.6
103.05466	0.8
105.04535	0.5
105.07036	14.8
107.04955	8.1
107.08601	3.4
109.06516	3.1
109.10150	1.1
111.04451	1.6
111.08080	3.4
111.62640	0.3
113.06075	0.4
115.05448	1.5
116.06251	0.4
117.07016	1.5
119.04927	1.1
119.08590	10.8
121.06496	2.4
121.10138	4.7
122.05981	0.7
123.04465	0.7
123.08060	1.3
123.11730	0.7
125.09597	0.4
128.06223	0.9
128.98595	0.5
129.07021	7.7
131.08574	7.0
132.05786	0.5
133.02852	1.2
133.06497	6.2
133.10135	7.1
135.11731	0.9
137.06042	0.4
137.09599	1.0
142.07784	2.7
145.10098	0.6
147.04433	0.5
147.08052	3.1
147.11681	6.3
149.02333	1.1
149.09621	4.1
149.13242	0.6
157.10124	6.4
160.05260	0.6
161.05965	4.1
165.09096	0.5
165.12753	1.2
175.11182	6.5
175.14847	1.7
181.05676	1.0
190.06358	0.6
193.04988	3.8
193.06599	0.5
193.08546	2.0
193.12247	12.8
193.15863	1.6
206.30936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03949	4.5
55.01861	4.0
55.05512	9.1
56.96564	2.1
57.03439	4.4
58.84005	0.9
59.04987	1.1
65.03917	2.9
66.04723	0.8
67.05508	33.3
69.03421	3.5
69.07054	5.8
69.10870	1.0
70.58863	3.2
71.01338	3.1
71.04978	3.1
79.05495	33.2
81.03421	100.0
81.06578	1.6
81.07057	25.7
82.03721	1.0
83.04986	6.4
83.08625	15.6
85.06510	1.7
91.05486	59.0
93.06482	1.3
93.07054	20.9
95.04974	40.8
95.08591	8.0
97.02921	1.6
97.06528	2.9
99.08025	1.3
103.05463	2.1
105.04549	1.2
105.07038	48.9
107.04956	9.1
107.08609	7.0
109.06539	5.7
109.10148	1.9
110.97522	2.2
111.04417	1.4
111.08086	3.8
115.05477	4.7
117.07005	3.0
118.04193	1.0
119.04938	1.4
119.08593	32.3
121.06527	1.3
121.10149	17.5
123.04405	1.3
123.08039	2.5
123.11700	3.7
128.98611	1.8
129.07022	15.9
131.04877	1.2
131.08572	25.1
133.02885	1.1
133.06522	13.8
133.10135	83.5
135.08038	1.1
135.11659	2.7
137.06003	1.5
137.09625	2.2
142.07780	4.8
145.10123	1.6
147.08043	8.3
147.11694	59.9
149.02324	0.9
149.08409	1.3
149.09619	24.6
151.11182	1.7
157.10127	24.3
161.05971	8.7
165.12735	8.7
175.11200	39.3
175.12737	2.0
175.14799	3.8
178.02496	1.0
193.05067	7.1
193.08560	6.3
193.12244	53.2
193.15837	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	1.9
55.01871	4.0
55.05511	1.7
56.05049	0.7
56.96568	2.5
57.03443	2.7
59.05002	0.7
60.04527	0.9
61.83958	0.4
65.03947	1.2
66.04729	0.4
67.05503	2.1
68.05023	1.1
68.99780	0.5
69.03436	1.8
69.07069	1.5
70.06577	0.4
71.04994	0.9
71.38965	0.6
77.03922	0.7
79.05499	11.7
79.54025	0.5
81.03421	4.0
81.07056	6.2
83.04980	2.1
83.08604	1.2
84.08176	0.5
85.02905	0.6
89.03901	0.7
90.04710	1.3
91.05480	8.1
92.04311	0.5
93.07045	2.7
94.04136	0.5
95.01345	0.4
95.04974	4.4
95.08613	2.1
97.02897	1.5
97.06517	0.4
97.08887	0.4
98.97578	2.4
103.05482	11.1
104.06270	0.6
105.07036	81.6
106.07381	0.6
107.04964	1.2
107.08592	2.2
109.06529	8.5
109.10155	1.5
110.07236	0.4
110.97594	1.2
111.04449	0.6
111.08125	0.5
115.05458	17.3
116.98595	0.6
118.04160	7.8
119.04940	1.4
119.08579	6.2
121.06536	1.3
121.10133	0.8
122.03674	1.0
123.08075	1.5
123.11706	0.7
124.11193	0.5
125.78966	0.4
128.98640	1.2
129.07010	0.9
131.04948	3.6
131.08592	0.6
131.12033	0.9
132.05701	0.9
133.02869	4.9
133.06497	73.5
133.10143	4.6
133.11729	0.9
135.08038	3.1
135.11658	0.6
137.05989	2.2
137.09633	2.0
142.07787	0.6
143.04929	1.5
143.06047	7.0
145.06488	0.8
145.11729	0.7
146.99707	0.7
147.04355	0.8
147.08047	1.7
147.11690	3.8
149.02287	0.7
149.06012	1.2
149.09622	0.8
150.03123	4.0
151.07549	1.1
151.11205	2.9
154.12263	0.7
157.10149	0.7
158.99707	0.9
160.08873	2.2
161.05986	100.0
162.06348	0.9
163.12788	1.3
165.05478	0.7
165.09068	0.7
172.13338	0.6
175.03944	0.7
175.07561	0.6
175.11198	8.5
175.14766	1.0
178.02621	23.8
178.06123	0.7
179.02975	0.5
184.13359	3.9
187.87317	0.5
193.04976	35.5
193.08612	15.2
193.12231	9.0
193.13860	0.7
193.15872	1.0
193.17702	0.5
194.19089	0.6
210.18474	1.1
212.56313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	1.8
55.05500	3.3
56.96555	3.2
57.07079	1.3
59.50471	1.0
61.87188	0.9
65.03934	1.0
67.05508	23.4
69.03432	2.2
69.07074	8.4
69.32333	8.7
71.04996	36.2
77.03943	1.1
79.05140	1.1
79.05504	13.5
81.03427	1.1
81.07058	13.2
81.53008	1.2
83.04984	2.1
83.08607	2.7
85.06071	1.4
85.06544	17.1
91.05481	18.6
93.07044	15.3
95.04971	11.1
95.08612	11.8
97.06536	9.8
99.08085	1.4
103.05467	1.6
105.07037	33.8
106.52793	1.0
107.04942	1.5
107.08598	51.1
107.85822	1.1
109.06523	58.4
109.10160	82.0
110.97558	1.1
111.08091	3.7
112.53738	1.0
117.07018	5.2
119.06085	1.8
119.08586	13.9
121.06532	6.7
121.10152	54.2
123.08069	32.9
123.11724	1.6
129.06995	2.8
131.08575	44.6
133.06473	1.2
133.10135	26.4
135.08061	65.2
135.11679	3.3
143.08542	4.0
144.09338	2.1
145.10129	12.5
147.08067	2.2
147.11693	17.5
149.09628	11.2
149.13255	9.9
150.06187	2.4
150.10379	1.6
158.10919	8.3
159.04431	2.0
161.09740	1.9
163.14836	1.3
173.09694	1.9
173.13269	54.4
191.03343	1.5
191.06975	2.2
191.10818	2.3
191.14308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	3.5
55.01867	5.8
55.05510	6.4
56.96578	0.8
57.03433	1.7
65.03933	1.7
66.98852	0.7
67.05505	13.5
69.03423	2.1
69.07072	2.5
70.67281	1.8
71.04993	1.1
72.08147	0.7
73.75208	0.7
77.03916	0.8
79.05497	20.6
79.05956	1.1
81.03421	56.4
81.07056	8.9
83.04987	2.4
83.08620	8.0
85.06532	0.8
90.04708	0.8
91.05486	16.3
93.07068	7.4
95.04366	1.3
95.04971	22.8
95.08606	4.7
96.08131	1.5
97.02878	1.3
97.06531	1.0
98.97602	1.4
99.08065	0.8
103.05472	13.8
103.66155	0.6
104.06272	1.9
105.07036	98.3
107.04975	4.6
107.08575	3.3
109.06522	2.6
109.10145	2.2
110.97606	1.4
111.04450	0.9
111.08071	1.6
115.05464	19.3
116.98668	0.7
117.06993	1.3
118.04153	10.4
118.04922	0.9
119.04946	1.7
119.08584	13.7
121.06500	1.4
121.10174	3.4
123.08102	1.3
128.06221	0.7
128.98610	0.8
129.07007	6.3
131.04913	3.5
131.08589	4.8
132.05696	2.5
133.02870	1.9
133.06499	86.5
133.10146	8.8
135.04393	0.8
135.08049	1.0
135.11682	1.9
137.05971	2.2
137.09618	1.6
142.07820	1.7
143.04936	1.9
143.06061	7.2
147.04480	0.9
147.08026	2.7
147.11710	6.5
149.02344	2.6
149.03479	1.5
149.05949	1.7
149.09633	2.6
149.13283	1.0
150.06749	1.2
151.11188	1.0
157.10135	3.9
158.99727	1.2
160.05183	1.3
160.55922	0.8
161.05989	100.0
165.05452	1.4
165.09172	1.3
165.12741	0.9
175.11197	5.4
175.14828	6.7
178.02609	1.7
178.06259	1.7
193.04970	8.0
193.08618	58.5
193.12225	9.5
193.15787	4.3
194.11755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05509	6.0
56.96564	2.6
57.03427	1.1
57.07077	1.8
59.05001	1.6
60.75964	0.8
65.03928	1.3
67.05510	6.9
68.17683	0.9
69.03428	6.0
69.07062	9.5
70.27722	3.6
71.04990	4.1
74.70791	0.8
79.05500	8.5
81.07065	7.5
83.04987	6.4
83.08620	2.9
85.06537	3.3
91.05486	15.0
92.40495	0.9
93.07053	12.3
95.04974	12.0
95.08595	8.2
97.06537	6.8
99.11062	1.1
103.05463	4.4
105.07036	28.8
107.04989	2.2
107.08604	31.2
108.90434	1.0
109.06519	12.0
109.10166	10.0
111.08113	2.0
117.07024	5.9
118.04169	1.5
119.08592	14.2
121.06535	4.6
121.10149	16.1
123.08060	5.6
123.11713	2.7
129.07022	2.9
130.07838	1.0
131.00198	1.0
131.04919	3.4
131.08575	29.9
133.10139	100.0
135.08055	20.2
135.11736	2.4
143.08603	5.8
144.09349	2.8
145.10144	15.0
147.07991	1.3
147.11703	11.4
148.05176	1.9
149.01244	1.6
149.09631	7.4
149.13260	11.9
158.10907	10.3
159.04474	1.6
161.09587	2.3
163.07591	4.6
163.11244	1.5
163.14850	2.2
173.13286	46.0
174.13678	0.9
176.07472	0.9
176.11975	1.3
191.07045	6.0
191.10684	3.8
191.14325	93.3
212.43118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05499	3.6
59.04995	2.0
66.00039	1.0
67.05505	8.4
69.03411	2.7
69.07072	8.1
70.37254	1.1
71.04990	8.1
71.07822	2.2
72.67174	1.0
79.05489	6.3
81.07063	8.6
83.04996	1.9
83.08635	2.6
85.06527	4.0
85.56627	1.4
91.05486	14.4
93.07044	11.6
95.04969	13.8
95.08599	8.8
97.06528	6.9
105.07029	31.9
107.08596	18.0
109.06518	28.8
109.09455	2.3
109.10156	27.5
115.05553	1.4
117.07030	4.9
119.08588	13.3
121.06494	2.6
121.10130	14.4
123.08060	7.4
123.11694	3.0
129.07036	2.9
131.08575	37.4
133.10133	100.0
135.08058	24.7
135.11671	1.4
143.08553	5.3
144.09326	2.0
145.10126	16.4
147.11684	9.1
149.09645	6.6
149.13271	14.1
158.10922	10.1
161.09599	1.3
163.11205	2.0
163.14828	1.9
173.11769	3.0
173.13266	56.2
191.14314	53.9
191.16086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01876	1.4
55.05523	4.3
56.96563	1.1
61.03812	0.8
67.05510	4.7
69.03433	8.7
69.06726	0.9
69.07069	5.0
69.30507	6.6
69.30923	1.9
71.04977	1.8
77.90875	1.0
79.05497	6.3
81.07055	6.8
83.04996	9.4
83.08633	2.1
85.06532	1.0
91.05483	7.3
93.07040	9.8
93.28463	0.9
95.04960	2.1
95.08615	9.8
97.06539	3.7
98.97604	1.1
103.05464	1.0
105.07037	12.3
107.04967	5.2
107.08602	30.2
109.06555	5.4
109.10143	3.5
111.08083	1.4
112.99088	1.1
117.07021	2.6
119.08597	5.9
121.06521	10.8
121.10151	19.1
123.08080	6.7
123.11696	0.8
131.08577	13.6
133.10141	26.2
135.08058	13.1
135.11665	4.2
137.09608	1.9
143.08530	3.1
145.10164	5.9
147.11679	9.6
149.09625	8.4
149.13269	8.3
149.81523	1.1
158.10902	6.6
161.09630	3.2
163.11186	1.7
163.14859	4.5
173.13287	20.6
176.11853	1.0
181.05597	0.9
191.06978	1.2
191.10683	2.6
191.14316	100.0
192.14708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05501	2.2
56.96562	1.8
57.03436	0.8
58.72158	0.6
65.03965	0.8
67.05495	2.3
69.03436	8.2
69.07079	3.5
70.27670	2.5
71.04999	1.2
79.05493	5.1
81.03410	0.7
81.07059	5.9
83.04966	1.5
83.08641	0.9
85.06556	0.7
86.80772	0.6
91.05475	5.7
93.07030	5.3
95.04988	1.6
95.08589	2.3
97.06452	0.7
98.20836	0.9
103.05482	0.8
105.07033	10.0
107.04961	1.8
107.08600	15.2
107.54050	0.7
109.06522	1.7
109.10157	6.7
115.05476	1.3
115.38782	0.7
117.07032	1.7
119.08573	3.3
121.06504	1.8
121.10154	9.6
122.07265	3.0
123.08058	0.8
131.04942	0.7
131.08591	6.8
133.10136	100.0
135.08057	4.8
135.11711	2.8
137.09622	22.1
143.08582	1.1
145.10124	4.4
147.11711	3.1
149.01210	0.9
149.09641	2.3
149.13266	9.7
158.10915	3.5
159.04492	0.8
162.05522	0.8
163.14871	1.6
173.13268	10.6
181.62567	0.7
191.03433	4.2
191.07019	1.6
191.10707	2.0
191.14328	17.0
207.55212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	5.9
55.01864	2.0
55.05518	8.7
56.96547	4.3
57.03429	1.1
57.07077	2.4
58.29966	1.3
65.03941	3.1
67.05225	1.1
67.05508	12.2
69.03082	2.3
69.03435	33.0
69.07066	7.5
69.51741	9.6
71.04967	2.2
79.05496	60.1
81.03427	1.6
81.07062	62.4
82.71983	1.2
83.04978	14.4
83.08639	2.2
85.06539	3.7
86.68832	1.5
91.05484	25.1
93.06551	2.0
93.07055	20.2
95.04959	4.1
95.08615	10.4
97.06545	2.8
103.05457	4.1
105.04500	1.7
105.07036	22.1
107.04961	37.2
107.08599	91.1
109.06506	7.5
109.10161	11.7
110.07251	1.2
111.08054	2.1
115.05439	1.6
116.06231	1.8
117.07018	5.5
119.06096	1.5
119.08577	8.9
121.06519	11.1
121.10153	19.8
122.07304	5.4
123.08067	7.7
123.95949	2.1
129.07024	2.5
131.00201	2.4
131.05003	1.2
131.08569	16.2
133.10139	100.0
133.47911	1.3
135.08063	14.1
135.11682	4.9
137.09627	32.3
143.08578	3.2
145.03514	2.3
145.06560	1.5
145.10135	8.6
147.11691	9.1
148.05203	1.8
149.01208	1.7
149.09639	5.0
149.13261	15.5
154.07288	1.3
158.10938	6.8
159.04364	1.4
161.09641	1.9
163.14799	4.8
171.06651	2.1
173.13271	20.3
191.03391	4.6
191.06976	4.1
191.10690	2.6
191.14316	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	191.1067
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03949	1.5
55.01873	4.2
55.05513	2.4
56.05838	0.6
56.96291	0.7
56.96565	10.1
57.07050	0.4
65.03941	0.6
67.05504	6.3
69.03427	0.6
69.07081	2.3
69.75597	1.1
69.76012	1.0
70.98126	2.1
71.01342	0.8
71.05000	0.9
72.75402	0.3
77.03943	0.5
79.05494	11.9
80.05819	0.5
81.03420	1.2
81.07055	5.3
83.04989	2.7
83.08618	1.6
83.28756	0.3
85.06520	0.7
91.04908	0.5
91.05479	10.6
93.07051	6.1
95.04972	7.3
95.08627	1.4
97.06528	14.1
97.10139	0.5
103.05465	1.0
105.04549	0.5
105.07042	4.1
107.04956	100.0
107.08597	6.1
108.05296	0.7
109.06514	3.9
109.10179	2.3
111.04432	0.6
115.05448	0.7
116.03054	0.6
117.07026	5.1
118.55221	0.3
119.08586	3.6
121.04140	0.4
121.06503	1.5
121.10143	6.6
122.10500	0.4
123.04414	1.7
123.08035	1.0
123.11686	0.4
123.95801	0.4
125.06001	0.4
128.06226	0.5
128.55090	0.7
129.02347	0.6
129.07008	3.0
130.07788	0.7
131.00185	0.7
131.04941	4.8
131.08572	6.6
132.05757	0.5
133.10126	1.6
135.04359	0.4
135.08060	2.7
135.11696	3.4
135.46791	0.4
136.56596	0.5
137.05424	1.2
137.55566	1.0
138.87231	0.3
141.96953	0.5
142.54781	0.8
143.05426	0.5
143.08505	0.8
144.05728	0.4
145.05276	0.5
145.06476	5.7
145.10123	13.6
146.05954	0.4
146.10500	0.4
146.56100	0.7
147.08067	2.2
147.11682	1.8
149.01210	0.6
149.09625	2.9
149.55554	0.7
150.06149	1.0
151.55388	0.5
153.06956	0.6
155.08554	4.4
158.05937	0.9
158.07274	0.8
158.56123	1.6
159.04390	0.8
159.06676	0.8
160.55800	0.6
163.11177	12.5
164.11484	0.8
167.06499	0.8
167.56644	1.8
173.01208	0.5
173.09621	22.7
173.13158	2.0
174.01466	0.4
174.09996	0.5
181.12253	0.8
191.07040	1.1
191.10674	22.5
191.14299	3.8
191.17947	0.8
192.10953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03940	4.1
55.01875	12.6
55.05493	4.0
56.96552	3.8
63.25362	1.0
65.03933	2.7
67.05176	1.9
67.05507	25.7
68.99783	1.2
69.03432	6.4
69.07073	7.2
71.01349	1.7
71.04987	3.0
71.07906	2.4
71.08257	1.7
77.03921	1.4
79.05067	2.0
79.05496	31.3
81.03412	2.9
81.07057	20.9
83.04996	9.4
83.08607	2.3
85.06547	3.2
88.66642	1.1
89.03914	3.1
91.05483	35.8
93.07049	26.4
95.04977	28.1
95.08605	5.9
97.06536	16.5
103.05470	4.7
105.04562	1.6
105.07032	15.5
107.04956	94.7
107.08605	24.3
108.00676	1.2
109.02847	2.0
109.06514	12.6
109.10146	3.7
111.04437	2.2
115.05446	2.5
116.06197	1.5
117.03361	1.2
117.07024	22.3
118.04189	1.1
119.08583	15.3
121.06509	9.1
121.10152	25.8
123.04451	3.5
123.11681	1.2
125.05997	3.3
128.06207	2.3
129.07024	13.0
130.07771	3.6
131.00150	2.3
131.04913	12.5
131.08571	34.5
132.05714	2.3
132.96400	1.5
133.10147	9.6
135.04417	1.3
135.07074	1.7
135.08043	12.1
135.11697	15.3
143.08597	2.2
144.05719	2.2
145.06482	17.3
145.10124	50.9
147.08040	6.9
147.11671	7.7
149.01198	1.9
149.05983	1.5
149.09615	10.8
149.13249	3.5
153.06987	1.1
155.06017	1.2
155.08568	26.7
158.07323	1.6
158.10907	2.4
159.04427	3.2
161.09514	1.4
163.07558	2.8
163.11191	45.2
173.09631	82.6
173.13210	7.0
191.03403	43.4
191.07091	8.1
191.10674	100.0
191.14287	33.8
191.17941	3.0
192.11055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
55.05547	0.6
56.05079	0.5
56.96561	1.5
69.03471	0.7
69.75880	1.2
72.41426	0.3
81.07100	0.3
84.07297	0.2
84.08234	0.3
84.96056	0.3
85.02943	1.0
89.03972	0.8
91.05476	0.3
93.07074	0.4
97.02953	0.9
98.06091	0.3
98.97584	2.2
100.03998	0.5
100.99170	0.3
107.05018	0.3
116.04988	2.5
116.98651	0.9
117.07035	0.4
117.51369	0.2
118.06558	0.8
119.04936	0.3
120.08109	0.3
121.02894	0.8
121.06483	1.7
124.04649	0.4
128.98582	0.4
129.03371	0.2
130.03711	1.2
130.06526	2.9
130.96431	0.2
134.99680	0.5
144.04385	1.4
144.06503	0.3
144.08058	2.0
146.04073	0.3
148.97430	0.3
149.01204	0.5
149.02310	0.4
158.99693	0.8
161.01137	0.3
162.05507	100.0
163.02802	0.6
163.05904	0.6
166.54950	0.3
172.07568	0.7
177.00696	0.5
178.05714	0.3
179.04623	0.7
185.03014	0.5
190.04976	45.0
191.05264	0.4
191.07103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03941	3.4
55.01883	10.8
55.05510	8.3
56.05842	1.9
56.96572	36.2
57.03428	3.2
57.07057	1.9
67.05508	24.7
68.02641	1.7
68.99786	1.6
69.03427	5.2
69.07053	6.5
69.61150	7.0
69.61559	3.8
70.98147	7.6
71.01359	3.3
71.04990	4.2
73.62504	1.2
79.05064	3.1
79.05496	41.2
81.03063	1.4
81.03426	19.1
81.07058	21.5
83.04981	8.3
83.08617	4.0
85.02910	4.4
88.99133	3.6
91.05489	38.5
93.07047	34.2
95.04977	14.5
95.08591	6.8
97.06554	10.2
97.99162	1.8
98.10506	1.9
103.05463	4.7
105.07028	22.1
107.04956	28.7
107.08602	33.7
108.08924	2.2
109.06523	12.7
109.10151	6.9
110.09767	1.5
111.04443	4.3
115.05501	2.2
116.97206	1.7
117.07011	26.3
119.04948	2.4
119.08581	24.7
121.06522	11.6
121.09315	2.4
121.10152	30.9
123.04420	1.9
123.08031	4.2
123.11713	4.1
123.95922	4.5
128.06157	1.9
128.55031	2.8
129.05632	2.5
129.07034	10.5
130.07784	4.7
131.00198	3.3
131.04916	10.9
131.08585	44.0
132.05756	2.1
132.96429	7.0
133.10159	11.8
135.04404	1.7
135.08069	18.1
135.11699	21.0
135.55820	2.6
141.96974	10.5
143.05431	4.6
143.08577	2.9
144.06210	3.4
144.47235	7.9
144.56398	4.7
145.06476	10.9
145.10127	62.0
147.08052	46.5
147.11734	9.2
147.59077	1.7
149.01201	7.2
149.09647	14.7
149.13264	2.3
149.55627	1.7
150.06171	3.7
153.06870	1.8
153.47736	7.5
153.56992	3.4
155.08543	12.7
155.98128	2.7
156.07045	2.9
158.10930	3.6
158.56125	5.6
159.04419	7.4
159.06644	3.4
161.09653	2.1
163.11188	71.3
164.98572	3.0
166.60033	1.6
167.56659	3.6
173.09639	60.9
173.13232	11.0
179.07495	3.3
181.12213	4.3
191.03459	3.0
191.07098	9.2
191.10677	100.0
191.14287	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74011	0.7
55.01864	1.0
55.05499	2.8
56.96554	3.4
57.03409	0.8
58.05088	0.7
59.72180	0.7
67.05504	1.5
69.03436	13.9
69.07050	1.6
69.50161	3.0
69.50592	2.6
71.04993	5.2
72.08170	0.9
78.46990	0.7
79.05497	2.1
81.07048	1.8
83.04974	4.0
84.65598	0.8
85.02863	0.8
85.06520	0.9
86.09730	0.8
91.05475	6.2
93.07046	2.1
95.04974	1.9
95.08635	1.1
97.06508	0.9
98.97557	0.8
99.04443	2.1
103.05465	2.4
105.07034	12.4
106.96562	2.6
107.08569	2.7
111.04427	2.2
115.05436	1.8
117.07018	3.5
119.08595	17.0
124.97598	1.5
128.06206	2.9
129.03386	16.0
129.05496	4.8
129.07007	3.3
130.07759	4.7
131.04948	1.7
131.08580	6.4
133.06491	2.8
133.10124	6.2
139.69826	0.8
141.06975	7.7
142.07748	1.6
143.08598	5.3
144.09352	2.3
145.06470	0.9
145.10138	18.1
146.03712	1.0
147.08043	6.3
147.11694	14.8
155.08548	2.8
156.09355	42.8
159.08073	3.2
159.11696	12.2
160.08818	1.0
161.05971	5.0
161.09628	2.5
161.13272	3.3
171.11703	59.5
174.06801	1.6
174.10390	7.1
189.04243	0.9
189.05475	34.0
189.09215	5.5
189.12749	100.0
190.13268	1.2
196.12123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97641	1.0
55.05531	4.9
56.96556	1.6
58.06592	1.0
59.05001	2.0
61.02921	2.2
67.05500	1.6
69.03425	10.9
69.07058	2.8
71.04971	1.3
71.56732	1.4
72.08141	2.4
79.05485	3.3
81.07059	2.0
83.04970	7.3
85.02910	3.1
86.09711	6.2
90.80282	0.9
91.05482	10.6
93.07048	2.4
95.04979	2.1
95.16216	0.8
98.97599	1.8
99.04465	2.4
103.05463	2.3
105.07038	27.3
106.96557	2.8
107.08580	3.7
111.04432	2.7
115.05450	3.2
115.07569	2.2
116.06203	1.2
117.07014	3.8
118.04173	2.3
119.04930	2.8
119.08582	30.1
121.10152	1.0
124.97614	1.3
128.06221	3.1
129.03372	29.5
129.05461	2.8
129.07011	5.1
130.07791	3.8
131.04942	3.9
131.08572	25.2
132.10178	1.4
133.06483	4.9
133.10120	10.2
133.83032	0.9
141.06963	6.6
142.07758	1.3
143.08559	9.4
143.11827	1.5
144.09331	2.8
145.06458	1.4
145.09048	1.8
145.10135	25.8
146.03590	1.8
146.10864	1.7
147.08046	13.6
147.11699	32.0
155.08493	2.1
156.09357	56.3
159.04314	1.5
159.08095	3.4
159.11697	10.8
160.08894	1.8
161.05994	12.9
161.09624	4.0
161.13254	16.4
171.11691	70.5
172.11954	1.3
174.06772	2.3
174.10388	10.1
189.05470	70.0
189.09192	5.5
189.12743	100.0
190.05711	1.2
190.13026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05505	1.2
65.38036	0.8
67.05506	1.1
69.03434	4.8
70.71065	1.7
70.71397	1.0
77.82795	0.7
79.05481	1.1
81.07059	0.8
83.04996	1.4
86.09693	1.1
91.05482	4.1
105.07027	8.0
107.08644	1.2
109.06551	0.7
115.05500	0.9
117.07010	2.6
119.08582	12.3
121.10132	0.9
128.06203	1.9
129.03348	7.5
129.07001	3.3
130.07797	4.8
131.04906	0.9
131.08589	4.5
133.06499	1.5
133.10117	3.4
141.07001	4.6
142.07735	1.5
143.08578	5.3
144.09338	2.1
145.10133	18.5
147.08032	4.6
147.11693	12.3
149.52632	0.8
155.08563	3.0
156.09352	49.4
159.08012	4.3
159.11697	13.3
160.08797	1.1
161.06029	1.3
161.09622	1.1
161.13243	1.9
171.11691	65.6
172.12164	0.8
174.10420	7.0
189.05496	15.6
189.12744	100.0
190.13089	0.9
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
53.03959	1.0
55.01873	6.2
55.05523	4.1
56.75257	0.8
57.03423	1.0
57.30440	0.7
61.02911	1.9
62.90337	0.7
63.47100	0.9
63.47697	0.6
65.03936	2.0
67.05180	0.9
67.05509	13.7
67.44064	0.7
69.03088	1.1
69.03432	10.1
69.07078	4.5
69.84534	3.8
70.45950	0.7
71.04993	2.0
79.05495	12.9
81.03432	1.1
81.07063	7.9
83.04992	6.4
83.08610	1.5
85.06551	1.6
91.05486	86.0
93.07050	8.7
95.04963	2.0
95.08623	5.1
97.06532	5.6
99.04457	3.2
102.03329	0.9
103.05441	2.2
105.07039	28.9
106.96584	0.9
107.04983	4.0
107.08585	3.6
109.06538	1.4
111.04446	2.5
111.08087	1.2
115.05450	2.5
117.07014	10.8
118.04153	1.6
119.08587	14.4
121.06487	3.9
121.10112	2.0
123.08071	0.9
124.90043	0.7
128.06216	4.2
129.03372	21.2
129.05577	4.6
129.07007	33.3
130.07819	1.5
131.04938	2.3
131.08562	3.5
133.06502	2.4
133.10141	12.7
141.06998	1.6
143.08560	15.8
145.10126	21.4
147.08061	5.8
147.11708	9.7
156.09370	1.7
159.11674	1.1
161.05980	4.9
161.09598	3.1
161.13264	14.1
166.86612	0.9
169.10115	1.1
171.11697	52.3
174.06805	1.1
189.05478	42.8
189.07243	1.4
189.09137	2.4
189.12749	100.0
190.13008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05499	4.1
56.96559	0.9
67.05495	2.7
69.03439	9.8
69.07047	3.6
70.95803	2.3
79.05473	3.2
79.43393	0.9
81.07062	2.8
83.04972	3.2
85.02872	1.2
91.05488	9.0
93.07030	3.5
95.04957	1.9
95.08591	1.4
103.05472	2.3
105.07029	26.6
107.08583	4.1
109.06512	1.6
117.07003	3.6
119.04939	6.5
119.08584	35.8
121.06481	2.1
121.10117	2.2
128.06201	3.2
129.03384	11.8
129.07005	5.1
130.07780	2.4
131.04903	1.7
131.08565	7.9
133.06494	7.0
133.10136	12.4
135.08070	6.1
141.06953	3.8
142.07774	2.0
143.08548	8.8
145.06506	1.7
145.10127	13.2
146.07243	1.7
147.08043	16.8
147.11693	25.6
156.09360	33.6
159.08081	4.7
159.11699	8.3
160.08849	3.1
161.05971	4.6
161.09631	5.4
161.11951	1.8
161.13239	18.4
171.11694	43.4
174.06767	2.3
174.10385	11.2
189.05461	23.7
189.09114	3.1
189.12744	100.0
190.13092	1.0
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
53.03937	2.2
55.01870	5.0
55.05515	5.1
56.96558	2.9
57.03425	1.0
58.24841	0.6
61.02911	1.8
65.03916	0.9
67.05181	0.9
67.05508	14.2
69.03426	13.6
69.07075	5.4
70.98119	0.8
71.04974	1.9
72.93783	1.9
77.03915	1.4
79.05068	1.1
79.05497	15.8
81.03401	2.3
81.07061	9.2
83.04983	9.0
83.08607	2.1
85.06514	0.7
87.11791	0.7
90.01773	0.7
90.94837	1.0
91.05485	71.3
93.07047	9.6
95.04982	3.6
95.08614	5.4
97.06517	3.0
98.99485	0.9
99.04475	3.3
103.05446	2.7
105.03349	0.9
105.07039	29.9
106.96563	2.5
107.04949	4.3
107.08598	3.5
109.06505	2.2
111.04483	3.4
113.96388	2.7
115.05449	2.6
117.07018	10.3
118.04164	1.1
119.07796	1.1
119.08587	15.3
121.02892	0.7
121.06521	3.2
121.10122	2.1
123.08083	1.1
124.04622	1.6
124.97603	2.4
128.06232	4.9
129.03372	23.2
129.05547	5.8
129.07011	30.3
130.07765	2.0
131.04904	2.4
131.08611	3.6
131.97429	1.6
133.02879	3.3
133.06496	1.8
133.10143	11.3
135.08072	1.0
135.11659	1.0
135.55423	1.0
142.07823	0.7
142.98668	1.5
143.08572	16.9
145.10138	24.8
146.04080	0.7
147.06451	0.8
147.06822	0.7
147.08044	6.6
147.11697	9.9
148.03462	1.9
154.49759	0.8
154.98976	0.9
156.09332	3.8
157.54913	1.0
158.07166	0.8
159.04350	1.0
159.11697	1.3
161.05977	6.2
161.09673	3.6
161.13260	14.0
171.11696	50.8
174.06796	1.1
174.10451	1.0
189.05479	49.2
189.07275	1.8
189.09126	9.2
189.12744	100.0
189.16380	2.9
190.13220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.04386	0.4
56.47195	0.4
56.96585	1.0
69.29989	3.6
84.04525	0.5
84.08128	0.4
91.05488	3.4
96.98310	0.4
98.97585	1.0
103.90400	0.4
115.05447	4.5
117.05811	0.9
117.07036	3.5
118.06550	58.0
128.02325	1.6
132.08095	1.1
137.42976	0.5
142.06543	5.0
143.07312	9.6
144.04451	0.6
144.08098	23.6
146.06021	100.0
147.06337	0.7
155.06085	0.8
160.07597	1.1
170.06035	8.9
177.86285	0.4
188.07085	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	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
52.73711	0.4
55.01872	0.5
55.05515	1.1
56.05025	0.5
56.96566	1.8
57.03434	0.6
61.02922	0.6
62.20541	0.4
62.52752	0.4
69.03434	2.3
69.07076	1.1
70.06598	0.5
70.72672	0.6
70.72988	0.6
71.05000	0.5
72.08158	1.5
72.79115	0.3
73.02931	0.5
74.40841	0.4
75.05618	0.6
79.05495	0.5
81.03407	0.5
83.04989	1.1
84.08150	0.9
85.02908	0.8
86.00624	0.4
86.09708	100.0
86.52544	0.4
87.10024	0.6
91.00529	0.6
91.05466	0.8
98.97597	1.9
99.04474	0.5
99.10012	0.4
103.05445	0.4
105.07039	0.5
106.96552	0.6
111.04447	0.5
112.01009	0.5
116.98656	0.5
117.00286	0.6
119.01833	0.4
119.04867	0.5
121.01527	0.5
124.99110	0.4
126.00758	1.6
128.06186	0.4
128.98598	0.5
129.03378	6.1
129.05467	1.2
131.04878	0.9
132.10208	43.6
143.00179	0.4
143.11803	25.7
146.03641	0.6
147.01289	1.0
147.04350	0.6
148.52939	0.4
161.06023	2.6
168.05522	0.5
171.11386	0.8
174.06808	0.8
189.05446	16.3
189.09108	1.4
189.12381	2.4
207.01865	0.5
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	Indoleacrylic acid
Peak:m/z	Relative Intensity
51.28299	0.2
52.42885	0.3
55.05501	0.5
56.96566	2.6
57.03451	0.5
57.87922	0.3
61.02946	0.3
69.03430	0.9
69.07075	0.8
69.72704	1.5
81.03457	0.3
82.06567	0.4
83.04982	0.4
84.04504	1.2
84.08147	0.7
84.96045	0.3
85.02922	0.8
87.04509	0.3
91.05487	3.0
95.72285	0.3
97.02892	0.9
98.01386	0.3
98.97578	2.0
100.07633	0.4
103.05487	0.6
110.01273	0.5
115.05458	3.9
116.06248	0.5
117.05756	1.0
117.07030	3.4
118.06543	57.0
119.01831	0.9
119.06921	0.3
128.02310	1.2
128.98654	0.4
129.03313	0.3
129.10150	0.3
129.47115	0.3
132.08061	0.5
142.06528	5.6
142.08611	0.4
143.03787	0.3
143.07307	10.7
144.04495	0.7
144.08089	22.3
145.06500	0.6
146.06009	100.0
147.06358	0.8
155.06038	0.7
158.99655	0.5
160.07564	1.1
161.04861	0.7
170.04633	0.5
170.06024	8.7
176.05147	2.1
176.55374	0.5
179.05991	0.3
185.05690	0.7
188.07063	29.3
189.05611	1.3
207.05205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70515	0.9
53.03949	0.8
55.01873	2.5
55.05283	1.0
55.05509	8.4
56.96329	1.3
56.96566	11.6
57.03429	2.1
57.07063	3.7
63.11746	0.9
67.05507	39.5
69.03426	6.2
69.07061	6.0
69.41131	7.5
70.06590	1.2
71.04996	49.6
79.05132	1.0
79.05503	11.0
81.03420	5.5
81.07059	35.1
83.04979	4.8
83.08612	3.3
84.08134	2.9
85.02892	2.5
85.06544	71.7
88.02220	7.2
91.05485	30.7
93.07048	10.3
95.04973	2.2
95.08595	5.6
97.06528	2.7
98.97580	1.6
99.04451	2.6
103.05453	1.3
105.07034	31.0
107.08604	22.4
109.02867	1.7
109.06522	4.5
109.10159	44.6
110.03113	1.3
113.05967	1.1
115.05452	1.8
116.06229	1.6
117.07035	4.5
119.08575	8.2
119.97337	5.6
121.04130	1.4
123.08058	2.7
123.11713	7.4
125.09638	1.6
127.03913	2.5
127.07530	1.3
128.06221	2.4
128.97853	7.0
129.07002	7.0
130.07768	1.5
131.04916	2.8
131.08582	10.9
131.48119	4.2
133.10136	59.5
134.04874	5.1
137.98372	4.8
139.11176	1.4
140.48650	4.6
141.07086	1.4
142.98909	1.6
143.05435	9.6
143.08565	0.9
143.55603	1.6
144.05719	18.5
144.09354	14.9
145.06580	1.0
145.10109	5.7
149.49193	2.5
151.11183	32.8
152.05946	5.7
154.56192	1.2
156.05605	0.9
157.10120	2.5
159.04390	1.2
159.06963	1.3
159.08078	6.5
159.11697	27.1
163.41878	0.9
169.04890	1.0
169.10036	2.4
169.12247	12.3
172.05196	18.9
172.08832	8.3
187.03914	2.7
187.07559	59.0
187.11176	100.0
187.14548	4.6
188.11639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.05512	11.3
56.96566	10.0
57.03435	3.4
57.07092	2.0
59.04998	4.3
63.40862	1.4
65.03962	1.8
65.78146	1.4
67.05504	100.0
69.03422	7.0
69.07069	4.3
71.04995	4.4
79.05488	5.6
81.03413	3.8
81.07062	16.9
83.08612	12.4
84.04467	1.6
85.02912	2.2
85.06543	3.3
88.02209	15.9
91.05473	12.4
91.19145	1.5
93.07040	6.8
95.04964	1.8
95.08591	9.8
99.04506	1.9
104.99313	8.2
105.00026	1.3
105.07034	6.9
107.04887	1.9
107.08592	2.4
109.02935	1.8
109.10158	96.6
110.96768	2.0
111.08038	1.7
113.00023	39.9
117.06999	7.8
119.08596	9.3
119.97322	7.2
123.11725	3.4
127.03969	3.3
128.97832	7.0
129.06985	2.0
131.08559	14.7
131.48122	5.8
133.10101	2.6
137.09612	3.3
137.98346	2.1
138.66724	1.5
140.48636	5.7
141.07027	3.4
142.98926	2.7
143.08514	2.4
144.05679	2.1
145.06502	4.3
145.10127	20.4
155.10667	7.4
158.07271	3.2
159.06987	1.6
159.08182	3.5
159.11720	6.1
169.04916	2.8
169.10159	3.6
173.11739	15.8
187.03740	2.0
187.07608	4.0
187.11203	24.2
187.12823	3.4
187.14832	23.6
187.22443	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	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
52.47265	1.2
52.55309	1.1
53.03927	1.2
55.01870	2.0
55.05283	1.6
55.05510	12.6
56.96301	1.9
56.96568	30.6
57.03420	4.6
57.07065	5.5
67.05505	66.6
69.03413	5.9
69.07065	10.2
71.04994	75.8
71.28240	2.6
72.51388	1.2
75.01061	1.3
79.05499	17.6
79.95311	1.3
81.03416	3.8
81.07058	51.1
83.04975	10.3
83.08604	4.6
85.02924	1.6
85.06546	100.0
88.02229	9.8
88.41589	1.2
91.05482	42.6
91.67828	1.4
93.07050	19.2
94.01791	1.8
95.02575	1.5
95.04955	3.1
95.08627	6.9
96.93677	1.2
97.06538	2.9
98.60677	1.4
99.04467	3.2
102.46407	1.3
105.07034	44.4
106.44022	1.5
107.08598	39.4
109.02873	1.5
109.06525	6.9
109.10160	60.0
110.96798	3.0
113.02572	2.9
115.05457	1.6
119.08594	1.6
119.97333	6.4
120.05114	1.4
121.04121	4.0
121.05954	3.5
121.10177	1.4
122.03119	2.4
123.08061	4.2
123.11702	11.2
125.04391	3.7
128.97845	7.0
129.07010	1.4
130.04665	3.2
130.06458	1.6
131.08575	8.7
131.48106	4.7
133.10132	85.5
134.04889	34.6
134.55061	4.5
137.98351	4.8
139.11136	1.6
140.11598	1.2
140.48616	5.5
143.05432	42.8
143.55569	4.2
145.06435	2.3
145.10156	6.8
145.55658	7.3
149.49150	2.5
151.11189	46.9
152.05922	14.8
154.56244	8.7
157.10120	1.9
159.08093	4.0
159.11678	5.0
163.56703	1.4
169.12247	21.2
171.03282	2.1
187.03868	4.5
187.07552	8.0
187.11153	4.8
187.13126	3.7
187.14716	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05517	10.9
56.96568	12.7
57.03450	3.0
57.07070	3.1
58.36095	0.7
59.05005	5.0
65.03945	1.5
67.05508	100.0
68.05846	1.0
69.03416	3.6
69.07072	2.9
71.04997	5.1
71.57542	1.2
79.05492	4.2
81.03416	2.1
81.07061	15.3
83.08620	10.2
84.08167	1.5
85.02891	1.0
85.06544	4.1
85.08535	0.8
88.02223	8.1
91.05486	9.5
93.07066	4.6
95.04974	1.4
95.08606	9.6
95.09180	1.1
97.99207	0.7
99.04424	0.8
99.08078	0.8
104.90832	0.7
104.99253	4.8
105.03403	1.9
105.07018	4.9
105.20970	0.7
107.08607	5.5
109.06504	1.1
109.10162	90.7
110.96790	2.8
111.08095	3.6
112.99992	0.8
115.05508	0.8
117.07044	4.3
119.08591	11.4
119.97330	10.2
122.47620	2.4
127.03920	1.1
127.05869	1.1
128.06236	0.8
128.97838	11.1
129.06990	2.1
130.07809	1.7
131.08568	8.1
131.48129	7.6
133.10115	2.0
133.98343	0.7
137.09608	4.6
137.23285	0.7
137.98380	5.6
140.48645	8.5
141.07019	2.3
142.98932	0.9
143.08647	3.8
144.09358	0.8
145.06517	2.1
145.10129	32.3
145.11296	1.5
148.39893	0.6
149.49130	4.2
151.99451	1.9
155.10693	5.6
157.10135	3.2
158.10925	1.2
159.08139	1.5
159.11719	5.4
160.99933	0.7
164.03075	0.8
169.10123	4.1
172.08775	1.6
172.12491	2.2
173.11743	18.6
175.08797	0.7
187.03922	2.5
187.07640	2.1
187.09485	1.3
187.11194	15.5
187.12764	1.4
187.14828	26.2
187.22472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Jasminodiol
Peak:m/z	Relative Intensity
50.71170	0.8
51.02377	0.7
53.03938	2.6
55.01880	10.6
55.05518	5.3
56.05028	1.2
56.96569	4.5
57.03437	3.6
59.05004	48.2
60.04534	1.5
60.95854	2.1
61.02918	1.6
65.03944	1.4
66.05902	0.7
67.05509	6.5
68.05025	1.7
69.03431	11.2
69.07072	5.2
69.63113	0.7
69.71311	2.3
69.71716	2.2
70.06561	0.7
71.04996	19.9
72.08145	5.0
77.03940	0.8
78.04723	0.8
78.75800	0.7
79.05495	39.6
81.03431	8.8
81.07059	8.4
83.04990	6.9
84.04513	1.6
84.08126	1.9
85.02914	3.5
85.06536	1.5
86.09708	24.2
87.04482	9.3
91.05488	15.7
93.07047	7.7
95.05000	3.9
95.08591	2.6
96.08102	1.3
97.06534	42.5
97.08923	1.1
98.09695	1.2
98.21497	1.1
98.97603	2.5
99.04401	0.8
99.08088	2.9
101.06014	2.5
102.01025	0.9
102.96874	25.5
105.04517	1.0
105.07026	4.7
107.04957	46.7
107.08598	22.3
109.06522	13.7
109.10181	1.4
110.09706	2.4
111.04449	3.1
111.08069	2.5
112.11253	2.1
115.05432	1.5
117.07008	4.1
119.01925	1.4
120.02019	1.5
120.97906	16.5
121.01635	1.0
121.06508	100.0
121.10167	2.1
123.08040	2.5
125.05987	2.0
125.09636	3.0
125.12035	2.6
127.07565	11.6
127.11768	2.5
129.06975	0.8
130.06534	1.2
131.12003	9.0
131.61238	1.1
132.12788	3.2
135.08058	70.8
137.09657	1.2
137.12015	4.1
138.98935	7.9
139.07539	0.8
139.11217	1.2
143.99437	1.2
146.12541	5.4
149.09625	15.1
153.09123	11.0
155.13039	3.2
157.00032	1.1
157.13419	2.2
162.00562	2.1
164.13593	5.5
164.63702	0.9
167.10718	5.4
176.13602	8.2
180.17432	1.3
181.02917	2.4
185.08150	0.9
185.09572	1.1
185.11778	1.7
185.13222	1.2
194.19046	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21111	0.4
56.96570	0.7
57.03447	0.4
63.60616	0.3
69.03412	0.5
70.71407	0.8
72.45721	0.3
73.02928	1.1
80.94929	0.5
82.99843	5.7
97.02894	0.5
98.97588	0.4
100.02508	0.4
101.00890	53.4
101.95058	0.7
102.00990	1.0
103.00697	0.4
111.00375	0.5
112.38583	0.4
115.00647	0.6
115.02437	0.5
119.01930	100.0
120.01978	1.9
120.97943	0.4
121.02354	0.6
124.02455	4.4
133.01630	0.8
133.03477	0.5
137.02968	14.7
138.03214	0.4
142.03508	26.5
143.01909	1.7
143.03615	1.4
144.02007	0.5
145.01785	0.4
156.03224	0.4
160.04570	4.1
161.02975	15.7
162.03180	0.5
165.96573	0.5
179.04015	13.3
184.02907	0.4
184.04520	0.8
193.42143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1334
Annotation	Acetylpseudotropine
Peak:m/z	Relative Intensity
55.01873	4.8
55.05489	0.4
55.67762	0.2
56.05021	0.2
56.24237	0.2
56.96573	1.6
57.03418	0.5
60.95840	0.5
67.05501	0.4
69.03413	0.5
69.07069	1.2
69.32547	2.2
69.94016	0.2
70.02949	0.4
70.03765	0.5
70.06591	0.4
71.95263	0.3
72.04523	3.0
74.06072	0.6
79.05535	0.3
81.07046	0.7
82.06576	0.3
82.40612	0.2
83.08582	0.3
86.05579	0.2
86.06042	1.4
87.04453	0.4
88.07628	2.1
90.55309	0.2
93.07006	0.3
95.04980	0.3
95.08616	0.5
97.06537	13.0
97.98425	0.3
98.06055	0.4
98.97584	0.3
100.97215	0.3
101.00869	0.5
101.95040	4.8
102.96828	0.7
114.05532	7.0
119.01910	1.1
119.96078	1.6
120.97897	0.4
124.12082	0.3
134.04918	0.5
137.97101	0.5
140.10699	0.7
141.09135	0.6
142.12257	1.1
143.05435	2.2
152.05962	1.7
153.30347	0.2
154.56157	0.3
160.98729	0.5
161.02994	0.4
161.06439	0.6
166.08580	0.3
166.12265	0.9
180.99884	0.2
184.13339	100.0
185.07532	0.2
185.13676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13166	0.3
69.99908	1.8
76.01746	0.3
82.99847	7.4
93.56634	0.3
101.00890	58.6
102.00941	0.7
111.00433	0.5
119.01930	100.0
120.02027	1.3
124.02453	4.8
137.02963	15.1
142.03511	25.1
143.01910	0.9
143.03694	0.7
147.10443	0.3
159.66824	0.4
160.04544	3.1
161.02974	15.3
179.04022	12.8
184.04663	0.4
184.34894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.2
55.87903	1.5
56.96566	3.6
57.03189	2.4
57.03441	29.2
58.99861	2.3
61.02926	15.8
63.93549	1.6
65.80965	1.7
69.03434	26.6
69.53084	6.3
69.53506	6.2
70.99846	2.8
71.01353	2.0
73.02914	40.7
81.01939	1.8
81.03419	11.8
82.99834	8.9
85.02154	3.0
85.02906	34.0
87.01892	3.1
87.04467	2.6
87.56342	2.1
88.02683	4.5
89.00900	2.1
93.01904	5.4
94.02682	5.2
95.01622	1.9
96.02434	4.4
96.25477	2.0
96.92836	2.0
97.02892	28.3
98.97617	4.4
99.04466	4.3
100.02663	6.0
100.97191	3.3
100.98036	1.9
101.00883	67.2
101.03455	2.1
102.02395	12.7
103.03215	1.9
108.02430	4.5
109.02935	7.1
111.02927	12.7
112.32864	1.9
113.00879	14.5
114.00986	2.4
114.02412	5.5
115.02420	5.6
115.03185	3.5
115.03931	2.7
117.02908	4.8
119.01921	100.0
120.02297	3.1
120.03442	2.4
121.03152	2.7
123.02920	8.2
124.02468	7.4
125.00903	2.5
127.02442	4.8
127.03935	8.1
129.02942	8.5
129.03922	1.8
130.03702	4.1
131.01910	25.6
132.02036	4.0
132.03427	6.4
133.03462	4.6
135.02911	3.3
137.02966	19.6
137.07971	2.2
138.03429	10.3
138.53528	2.6
139.02408	2.8
141.03957	3.4
141.54337	1.9
142.03499	53.7
143.01906	41.0
144.01988	3.9
144.03441	6.1
145.03412	15.7
146.03458	1.8
147.03964	3.5
149.02937	2.5
151.04224	2.0
153.03972	7.3
155.01897	31.1
157.03487	11.8
160.03242	2.4
160.04573	21.6
161.02963	38.9
163.02722	2.0
167.01892	9.8
169.03514	3.5
172.02496	1.7
173.02974	34.8
174.03099	3.8
175.04584	3.2
178.02583	2.5
178.05695	3.4
179.03999	10.8
181.03448	2.8
183.06291	4.3
183.12283	4.3
185.02962	29.8
187.04616	4.1
191.04012	3.6
197.02982	6.0
199.04590	2.3
203.03969	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	5.0
55.01671	0.8
55.01874	8.0
55.05515	29.5
57.03439	4.0
57.07064	1.3
65.03933	3.5
67.05509	99.9
68.05833	0.8
69.03431	1.6
69.07073	16.7
70.32930	1.3
70.33306	2.7
71.04978	3.2
72.52622	0.7
73.06548	0.9
77.03869	1.0
79.05497	68.1
81.03426	19.2
81.07062	100.0
83.04986	39.6
83.08623	15.1
85.06538	3.5
85.48499	0.8
91.05487	54.3
93.07051	45.0
95.04984	10.6
95.08611	76.5
97.06539	38.5
97.10173	3.8
98.31817	0.9
99.08101	2.2
105.04525	1.1
105.07038	27.7
107.08597	11.4
109.06524	8.0
109.10159	13.4
111.08084	10.4
113.09657	9.5
117.07024	2.1
119.08589	38.4
121.10151	5.9
123.08096	4.4
129.06137	0.8
131.08566	1.9
133.10144	26.7
135.11734	8.6
135.86620	0.8
137.09612	1.9
159.11710	1.6
161.13255	21.1
179.03389	1.7
179.06422	1.9
179.14320	83.2
180.14594	1.1
181.94144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	1.2
55.01875	1.5
55.05512	4.9
56.96563	1.1
57.03436	5.9
57.07060	1.4
58.81921	0.9
61.43304	0.9
67.05509	24.3
69.03408	1.3
69.07069	6.4
70.51604	0.8
71.04995	2.2
71.32645	1.3
71.32974	1.4
77.02862	0.9
77.65689	0.9
79.05069	1.8
79.05501	21.5
81.07064	79.2
83.04985	5.9
83.08611	3.7
85.06548	6.7
91.05489	19.9
93.07050	31.8
95.04969	1.7
95.08614	65.8
97.06534	13.5
99.08093	8.4
105.07040	28.2
107.08601	15.2
109.06533	4.5
109.10175	4.7
111.08085	3.5
113.05998	0.9
117.06997	2.0
119.08589	41.9
121.10168	12.3
123.08095	5.1
123.11715	1.2
133.10133	30.2
135.11705	28.7
137.09634	3.0
137.13243	1.8
161.13266	86.1
162.13612	1.0
163.02228	0.9
179.03487	1.0
179.14323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03951	5.4
54.58451	0.8
55.01875	8.6
55.05269	1.7
55.05511	24.0
56.96555	2.1
57.03426	3.3
57.07069	1.8
59.04944	1.2
65.03925	2.5
67.05506	100.0
68.52515	1.0
69.03443	2.0
69.07067	17.2
69.84801	2.7
69.85207	1.9
71.04980	3.1
75.55260	0.8
77.03922	1.3
79.05495	63.6
81.02976	1.5
81.03417	18.2
81.07058	93.7
82.07421	1.0
83.04983	34.2
83.08612	15.7
85.06528	4.1
91.05483	51.6
91.68959	0.9
93.07046	42.3
95.04976	9.6
95.08607	74.2
97.06536	33.1
97.10173	3.5
98.21485	1.3
99.08063	1.8
105.07032	26.5
107.08601	11.7
109.06513	6.0
109.10159	13.5
111.08099	8.5
112.07565	0.9
113.09644	10.7
117.07026	1.3
119.08581	34.9
121.10153	8.0
123.08078	4.6
131.08542	1.0
133.06453	1.2
133.10138	25.7
135.11693	9.0
137.09613	1.4
153.89021	0.9
159.11728	1.4
161.06087	1.3
161.13264	24.1
163.03911	1.8
179.03410	3.6
179.06302	2.5
179.10872	2.2
179.14316	69.9
180.10167	1.0
180.14638	1.1
181.59810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62685	0.3
53.03949	1.0
54.03463	0.8
55.01874	4.2
55.05512	7.3
56.05034	6.6
56.05814	0.3
56.96566	7.5
57.03438	18.7
57.05820	0.6
57.07068	0.4
58.03758	0.5
58.06593	1.2
58.99850	0.8
59.04998	0.7
60.04527	39.5
60.08160	0.6
61.02922	1.9
61.04870	0.7
65.03935	1.2
67.04250	1.4
67.05507	13.5
68.05031	46.0
68.05811	1.0
69.03430	24.2
69.05359	1.0
69.05803	1.0
69.07072	2.2
69.28992	1.6
69.29419	1.6
70.02954	1.4
70.03775	0.8
70.06593	20.9
70.98132	1.7
70.99853	0.7
71.01334	0.6
71.04990	7.2
71.06945	0.4
71.95269	0.3
72.04145	0.5
72.04521	5.3
72.08151	1.4
73.02916	4.0
73.05286	0.8
74.06086	0.5
75.54990	1.8
75.56818	0.9
76.55786	26.1
77.00899	1.7
77.05947	1.2
77.54751	0.4
79.05496	17.7
80.05019	29.2
81.03423	7.2
81.05370	0.7
81.05798	4.0
81.07058	9.2
81.56841	0.9
82.01447	3.9
82.02858	0.3
82.06104	0.8
82.06580	11.8
82.07355	0.5
82.57607	0.7
82.99841	2.2
83.04986	4.5
83.06927	1.1
83.07360	19.0
84.01566	0.8
84.04507	4.6
84.08146	12.1
84.96021	0.7
85.01392	0.7
85.02902	6.7
85.06541	2.2
85.08485	0.4
86.06076	3.5
86.09697	1.9
87.04467	2.5
88.03990	0.5
88.57609	1.1
88.99136	0.4
89.00787	0.4
89.54718	0.9
89.58381	1.3
90.05012	0.6
90.05553	3.9
90.57320	0.4
91.04956	0.7
91.05482	9.3
91.58104	0.4
92.06315	0.5
92.07918	0.6
93.02213	0.6
93.05794	3.0
93.07047	7.3
94.06570	10.8
94.07223	0.5
94.07868	0.5
94.57585	0.7
95.01929	0.5
95.04971	5.1
95.06090	0.4
95.07365	2.6
95.07889	0.3
95.08079	0.5
95.08595	3.4
95.58363	2.5
96.04504	3.2
96.08129	46.6
96.57334	2.3
97.02869	2.7
97.05281	0.7
97.06536	5.8
97.08437	1.4
97.08990	2.1
97.58102	2.5
98.06057	13.4
98.08280	0.5
98.09689	0.4
98.55262	1.4
98.97593	6.2
99.04450	3.5
100.02480	11.5
100.07620	0.9
100.57585	0.6
101.00881	29.2
101.56551	0.4
101.58364	1.6
102.00985	0.5
102.05549	0.5
102.57329	1.0
102.59130	1.9
103.00613	0.5
103.02427	1.7
103.09316	0.4
103.58102	3.9
104.01303	0.5
104.58889	2.9
105.04539	0.6
105.07024	5.7
105.57883	0.4
106.06557	7.8
107.04965	2.1
107.06091	0.5
107.07413	0.6
107.08599	7.1
107.55799	0.3
107.58371	0.5
108.04421	0.4
108.05687	0.4
108.08112	7.4
108.57339	0.8
108.59142	1.3
109.02881	0.9
109.05284	1.7
109.06505	1.8
109.08916	7.6
109.10130	6.2
109.58112	4.4
110.06038	2.3
110.07170	3.1
110.09689	8.8
110.58890	1.9
110.97578	0.6
111.00211	1.0
111.02924	0.4
111.59667	0.7
112.07592	1.8
112.09431	1.6
112.58592	0.4
113.00879	0.9
113.03489	1.0
113.06001	0.6
113.58320	0.5
114.05533	1.5
115.00623	1.3
115.02440	4.3
115.03932	0.4
115.05463	0.4
115.08842	0.5
116.07076	2.1
116.09711	1.1
116.10722	0.3
116.58872	1.4
116.98633	2.7
117.00232	1.6
117.01900	0.9
117.06985	2.6
117.08659	0.8
117.10407	0.7
117.57880	0.6
117.59663	1.2
118.01045	1.1
118.03521	4.0
118.06562	1.8
118.07255	0.3
118.08595	0.8
118.09413	11.8
118.59604	1.0
119.01920	100.0
119.04861	1.8
119.07324	0.5
119.08560	3.0
119.10201	8.1
119.60325	0.5
120.02051	1.6
120.08109	4.0
120.59148	0.8
121.01624	1.1
121.06512	0.5
121.08895	0.8
121.10152	1.1
122.06040	1.1
122.09673	10.7
122.58893	0.5
123.04070	0.5
123.06810	0.8
123.08048	1.0
123.10463	0.5
124.07593	3.0
124.09395	3.1
124.11229	15.8
124.95435	0.4
125.10197	16.2
125.60335	1.0
126.00764	1.3
126.02415	0.4
126.03355	0.4
126.09113	0.6
126.10979	18.2
126.12791	1.1
126.58325	0.9
126.61108	1.3
127.01538	0.9
127.02377	0.5
127.03919	0.9
127.09941	1.6
128.98601	1.1
129.03973	0.5
129.07036	1.7
129.10417	1.8
129.59641	0.7
130.07825	0.4
130.08604	0.6
130.09427	3.0
130.11200	0.4
130.59509	0.6
131.00179	0.8
131.01910	3.3
131.08580	2.1
131.10187	24.9
131.59413	1.2
131.60355	2.9
132.00792	0.7
132.01810	0.4
132.06592	2.8
132.08084	1.4
132.10977	3.5
132.61122	0.5
133.01668	4.6
133.03458	14.5
133.06445	0.9
133.08875	1.5
133.09987	7.4
133.11693	2.4
133.60127	0.6
134.09648	8.6
134.10695	2.5
134.99666	1.0
135.01280	0.4
135.03085	0.5
135.08057	1.3
135.10393	1.5
135.11674	0.6
135.58846	0.6
136.07587	3.5
136.11224	2.8
137.02959	25.5
137.05991	0.8
137.07056	0.4
137.10182	21.8
137.60339	3.4
138.04050	0.8
138.05473	0.7
138.09195	1.3
138.10963	44.0
138.12733	1.4
138.61128	3.2
139.09921	12.9
139.11699	1.0
139.60103	1.1
140.10701	41.4
140.60867	5.6
141.01207	0.4
141.10173	0.8
141.11461	1.4
142.03488	1.4
142.08636	1.2
142.10466	0.9
142.59547	0.4
143.01910	4.6
143.08592	1.0
143.10172	6.2
143.60333	0.6
145.03426	0.8
145.10075	2.2
146.09612	1.8
146.10678	11.4
146.60898	0.8
146.99597	1.2
147.03215	0.9
147.04396	1.9
147.10405	0.6
147.11490	11.2
147.59872	0.5
147.61339	1.0
148.07579	0.7
148.11328	3.3
149.01152	0.8
149.02945	0.4
149.12071	2.5
149.58569	1.2
150.05276	1.3
150.09215	1.7
150.12781	14.9
151.02676	0.7
151.04552	2.2
151.11305	0.8
151.13121	1.5
152.07095	0.9
152.10706	34.7
152.14264	1.0
152.59851	0.8
152.60887	2.9
153.11240	0.5
154.08582	1.5
154.12239	2.4
155.01871	1.2
155.05516	0.7
156.01332	0.9
156.03127	2.0
156.05049	6.7
156.07718	1.4
157.03477	1.1
157.10194	0.5
158.09639	0.6
159.05774	2.1
159.11639	0.8
160.02603	0.8
160.11198	10.2
161.02957	34.0
161.05872	1.0
161.09851	1.0
161.11240	30.8
161.13374	1.0
161.61469	3.1
162.03143	0.6
162.09117	0.8
162.10736	0.6
162.12807	12.0
163.11150	1.0
163.13214	1.0
164.10704	0.4
164.14339	0.8
166.08566	0.8
166.15897	1.1
167.05505	1.0
168.04875	0.3
168.06316	2.3
168.10139	1.8
168.13847	16.1
169.02112	0.4
169.03560	2.0
169.09792	0.5
169.11581	0.4
169.14191	1.0
170.11766	30.8
170.60812	1.2
170.62161	2.6
171.04904	0.6
171.11514	0.8
172.11237	0.7
173.01042	0.4
173.03000	1.0
173.06601	1.2
173.11928	0.4
173.13255	0.4
174.03024	1.4
174.06105	1.4
174.12778	3.9
175.00955	0.4
175.02821	0.5
175.13258	0.4
176.10677	0.6
176.14333	2.4
178.08609	0.6
178.12303	1.0
178.15929	1.5
178.61722	0.6
179.02284	1.4
179.04013	36.1
179.12288	45.5
179.62462	5.1
180.04102	0.5
180.10181	0.9
180.13864	7.7
180.17453	1.0
184.04558	0.7
185.02881	0.9
186.12764	1.5
187.00301	2.1
188.09204	0.9
188.14340	11.9
189.09328	0.6
189.14706	0.8
189.16525	0.4
190.15892	5.1
191.16287	0.7
192.13876	2.2
192.17409	0.9
193.00163	0.5
193.14198	0.4
194.11726	0.4
194.15395	2.5
196.09659	0.7
197.06549	0.4
198.12828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35104	0.5
69.07073	0.6
69.94189	0.5
70.93359	1.3
79.05479	0.5
81.03451	0.5
82.01442	0.9
82.99834	3.7
91.05432	0.8
93.07050	0.6
98.97601	0.8
100.02486	2.4
100.97210	1.0
100.97980	0.6
101.00884	45.5
115.00594	0.8
115.01280	0.7
115.02441	4.7
116.98669	1.1
118.03513	0.8
119.01926	100.0
120.02039	1.7
133.01685	1.7
133.03467	10.4
133.06528	0.6
137.02960	17.4
138.03986	1.5
142.03510	1.4
143.01888	2.2
151.04520	1.9
156.03247	1.2
156.05069	7.3
160.10924	0.8
161.02963	37.0
164.83565	0.6
174.06082	1.8
179.04018	37.4
179.10666	0.5
184.04659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
70.21294	1.3
92.05030	0.4
93.05789	0.3
105.07048	0.4
106.06516	0.4
107.08610	0.3
115.67783	0.3
117.07024	1.3
118.06542	4.7
119.07329	6.2
132.08102	0.6
134.09657	49.5
135.10156	0.4
160.11203	0.7
162.09160	1.3
163.09924	0.8
177.17200	0.3
178.12276	100.0
179.12601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.99719	0.8
53.03940	2.4
55.01874	4.9
55.05517	3.8
56.96559	1.2
57.03420	2.3
65.03935	1.1
67.05508	23.5
69.07069	4.8
71.04996	0.8
71.37276	1.3
79.05498	27.5
81.03433	4.0
81.07061	33.0
83.04980	5.2
83.08614	3.4
85.06541	1.1
87.25425	0.8
89.03906	1.1
91.05483	29.3
93.07047	48.7
95.04973	8.9
95.08612	9.6
97.06549	6.1
98.98465	1.6
99.08067	1.1
105.07037	19.5
107.04963	4.2
107.08603	18.6
109.06512	3.9
109.10182	0.9
111.08060	2.7
115.05476	0.8
117.03400	1.4
117.07023	22.7
119.08539	5.1
119.35428	0.8
121.06504	4.4
121.10151	11.8
123.08047	1.1
129.07034	1.0
131.08575	27.3
133.10141	32.9
135.08061	8.1
135.11687	11.1
144.09471	1.4
145.02843	4.1
148.08806	1.0
149.02339	0.9
149.05963	0.9
149.09618	4.2
149.13261	16.4
159.11697	47.4
160.12120	0.9
177.05521	3.3
177.12756	100.0
177.16321	3.1
178.13080	1.3
185.33714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01867	4.9
55.05508	5.8
56.96566	2.6
57.03436	1.2
57.07076	0.9
59.58897	0.6
64.54488	0.6
65.03936	2.5
67.05508	22.4
69.07069	10.4
70.02178	0.7
71.57479	1.1
72.53514	0.6
79.05496	36.5
81.03429	2.0
81.07060	51.0
82.68117	0.7
83.04974	4.1
83.08617	5.2
85.06522	3.8
89.03932	1.5
91.05486	32.8
93.07047	100.0
93.51545	0.7
94.07399	0.8
95.04977	11.4
95.08606	14.3
97.06542	5.8
98.98466	8.9
103.05453	1.0
105.04525	1.1
105.07037	30.2
107.04971	6.2
107.08601	30.3
109.06538	4.8
109.10171	0.9
111.08096	1.4
111.13873	0.7
113.00859	0.8
115.05450	0.8
117.03391	2.1
117.07022	18.5
119.08589	4.5
121.06475	4.0
121.10143	14.0
131.01926	1.9
131.07593	1.1
131.08575	23.1
133.10138	38.4
134.04897	1.2
135.08066	6.5
135.11702	13.5
143.05357	1.6
144.09369	1.8
145.02846	9.0
147.11693	1.0
149.02338	3.2
149.06042	1.8
149.09613	3.8
149.13264	33.0
153.93704	0.9
154.03500	1.3
157.10175	1.2
159.04356	0.9
159.11700	38.8
163.04056	0.7
177.05450	7.2
177.09247	2.1
177.12758	98.6
177.16086	4.5
178.13058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03944	2.3
53.11359	0.8
54.47215	1.1
55.01879	4.0
55.05507	6.1
56.96555	0.9
57.03415	1.9
65.03942	4.2
67.05505	25.7
69.07076	7.9
71.57146	0.8
78.69182	0.7
79.05493	37.2
81.03411	2.9
81.07057	37.6
83.04983	4.0
83.08633	5.1
85.06537	1.5
89.03913	2.1
90.14187	0.8
91.04905	0.9
91.05482	29.4
93.07043	56.8
95.04971	6.8
95.08596	17.7
97.06531	6.7
98.98451	4.4
99.08100	1.5
103.05490	1.8
105.04515	1.2
105.07033	20.2
107.04939	3.6
107.08593	22.8
109.06508	5.2
109.10141	3.1
111.08069	1.9
115.05447	1.3
117.03366	1.9
117.07021	22.6
119.08595	5.3
121.06503	4.5
121.10148	27.9
129.06978	2.1
131.08574	24.3
133.10136	31.8
135.08066	5.9
135.11688	15.0
145.02859	8.5
147.11674	1.1
148.06551	0.9
149.02341	3.4
149.05986	2.7
149.09621	3.7
149.12187	1.4
149.13268	15.4
156.93971	0.8
159.11700	42.7
177.05478	6.6
177.09233	2.2
177.12753	100.0
177.16269	11.9
178.13091	1.4
184.60806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	0.5
55.01853	0.4
55.05511	0.7
56.96553	0.4
63.02398	0.9
65.03959	0.5
67.05531	0.3
68.05038	0.3
69.07079	0.8
69.92570	1.2
72.08166	0.4
77.03990	0.4
78.04701	1.8
79.05486	1.6
81.07065	0.7
83.08635	0.6
89.03918	31.6
91.05480	3.0
93.07030	2.1
95.04950	0.6
95.08607	1.8
98.68571	0.4
98.97572	0.6
98.98463	0.9
103.05479	1.5
105.03339	0.4
105.07059	0.5
106.04185	2.9
107.04980	0.8
107.08598	2.4
109.10165	0.5
110.01674	0.3
117.03380	64.0
118.03732	0.6
119.04971	0.7
121.06526	0.9
121.10146	3.8
124.05216	0.9
131.01910	0.4
131.04930	0.5
131.08554	0.9
133.10155	0.5
134.03638	5.9
135.04428	3.4
135.11702	0.6
145.02847	100.0
146.03209	1.5
149.02374	0.6
149.05986	19.0
149.13322	0.4
158.06053	0.6
159.08107	0.4
159.11780	0.6
161.34856	0.3
162.03105	0.8
163.03899	1.3
177.05476	30.4
177.12756	0.8
177.16373	2.3
182.03285	0.3
186.05536	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	4.1
55.01858	4.5
55.05508	5.7
55.05718	1.0
56.96554	2.4
57.03439	1.4
65.03944	2.4
67.05177	1.4
67.05507	24.7
69.07069	10.6
71.04966	1.0
71.57263	1.3
74.71885	1.0
79.05496	36.3
81.03407	1.7
81.07063	46.4
82.84261	0.9
83.04974	4.0
83.08621	5.4
85.06535	4.3
89.03901	2.3
91.05485	35.1
93.07048	98.9
95.04977	10.6
95.08611	13.1
97.06498	5.3
98.98479	9.7
103.05423	1.4
105.07037	29.9
107.04967	7.2
107.08599	31.0
109.06525	5.2
111.08069	1.6
111.91914	1.1
115.05472	1.3
116.06274	1.3
117.03404	2.4
117.07024	14.9
119.08583	5.6
121.06509	4.1
121.10145	15.3
129.07028	1.6
131.01897	3.2
131.08580	23.6
133.06470	1.2
133.10136	40.4
134.04897	2.1
135.08073	7.9
135.11693	13.7
144.09331	2.7
145.02853	7.0
149.02359	4.1
149.05994	1.8
149.09601	2.7
149.13263	38.7
152.82880	1.1
153.93623	1.4
154.03491	2.2
157.10106	1.2
159.08160	1.2
159.11702	41.7
159.13029	2.1
172.94221	0.9
177.05438	7.4
177.12756	100.0
177.16380	3.8
178.08710	1.7
178.13138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.0
55.01866	1.2
55.05514	6.8
56.96557	1.7
57.07053	0.7
65.03928	1.1
67.05497	2.9
69.03429	1.3
69.07069	14.6
69.71232	1.8
69.71646	1.8
70.06588	1.4
70.14814	0.6
72.08152	1.5
79.05502	3.7
81.07056	7.1
83.04987	1.3
83.08613	4.0
85.02899	1.2
87.04491	0.7
87.05851	0.6
91.05479	16.1
92.90095	1.1
93.07034	4.9
95.08609	6.0
97.02869	3.0
98.03683	1.3
98.20839	1.4
98.97531	0.8
98.97831	0.9
98.98467	12.8
101.07378	0.8
103.05463	0.9
105.07036	25.2
107.04970	0.9
107.08604	4.9
111.04456	1.2
115.03937	0.7
115.05426	2.3
116.59454	0.8
117.07000	3.5
119.04945	3.3
119.08585	77.6
121.10136	1.7
125.02346	0.6
127.03905	1.1
128.06252	0.9
129.05479	0.7
129.07005	2.7
130.06540	0.6
131.08609	4.4
131.09467	0.9
132.05737	0.8
132.95862	1.6
133.10133	66.0
135.11688	1.1
139.03966	0.9
142.07726	0.9
145.06573	0.9
145.10127	4.8
146.10933	0.9
147.04419	6.3
147.08104	1.6
147.10637	1.3
147.11687	11.1
151.93718	1.2
157.10101	1.6
160.05164	2.1
160.12479	2.4
173.13286	2.2
175.04012	2.3
175.06027	1.1
175.07538	9.7
175.11272	6.1
175.14830	100.0
176.15157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97068	1.1
69.57277	4.7
84.01814	1.1
89.36911	1.3
107.43465	1.1
132.02122	100.0
176.01115	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03950	0.6
60.23169	0.4
63.02380	0.7
65.03946	0.6
69.26025	3.8
78.04716	2.1
85.75731	0.3
89.03922	32.5
90.04236	0.5
91.05505	2.4
91.06002	0.4
93.07065	0.3
95.04977	0.4
98.20766	0.6
98.97585	2.0
103.05477	1.0
106.04162	2.8
107.00489	0.4
116.98635	0.7
117.03385	63.0
121.06529	0.7
134.03645	6.8
135.04431	2.4
145.02852	100.0
146.03169	1.2
149.05984	20.8
162.03177	1.2
163.03938	1.6
177.05484	34.2
177.09096	1.6
186.05487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.01879	1.4
55.05511	8.0
56.96569	11.7
57.03442	0.6
57.07081	1.0
65.03959	0.8
65.13194	0.5
67.05501	2.9
69.07071	17.6
70.67526	1.9
72.08152	1.1
79.05499	3.7
81.03413	1.2
81.07061	6.1
83.04969	1.0
83.08616	4.2
91.04915	0.5
91.05483	14.4
93.07040	3.3
94.01810	2.7
95.04995	1.6
95.08627	4.4
97.02902	1.8
98.98472	7.1
100.26834	0.5
103.02348	3.9
105.07037	22.6
107.04970	1.2
107.08575	3.9
109.06541	0.8
111.04462	1.0
113.02610	0.6
114.53111	0.6
115.04002	1.0
115.05462	1.9
117.07046	2.7
119.04967	1.3
119.08589	72.3
120.08900	0.7
121.10141	2.3
122.03102	0.8
125.04368	1.8
127.00675	0.8
127.03947	0.8
129.05678	1.1
129.07014	4.0
130.06555	0.7
131.05453	0.7
131.08563	5.5
132.05728	0.5
133.06525	1.2
133.10138	62.6
134.04898	6.4
139.00656	0.6
142.07773	1.4
143.05431	19.2
143.55560	1.6
145.06390	0.6
145.10149	4.3
145.55702	0.6
146.10966	0.7
147.04388	3.1
147.08046	1.7
147.11691	10.7
152.05952	6.1
154.56215	2.3
157.01723	1.6
157.10135	5.5
159.11679	0.5
160.05243	0.7
160.12444	2.4
163.56786	0.9
167.50865	0.6
173.13275	1.6
175.02649	1.2
175.04024	1.0
175.06136	0.9
175.07558	2.4
175.11259	15.9
175.14833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
52.08511	0.8
52.20173	0.8
55.05516	6.9
55.10044	0.8
57.03423	0.7
57.07076	1.1
64.39390	0.9
65.03933	0.8
69.07069	20.1
69.76425	4.8
72.08145	0.8
79.05489	2.6
81.07063	6.3
83.08618	2.9
91.05490	7.9
93.07024	2.8
95.08611	6.1
98.98469	2.3
103.08930	1.3
105.07043	23.9
107.08607	4.3
115.05489	1.5
117.07021	2.2
119.08587	80.3
121.10152	2.9
129.06950	0.9
131.08571	2.9
133.10135	63.8
135.11653	1.2
145.10117	5.2
147.04477	1.2
147.11696	10.3
160.05203	1.8
160.12456	2.6
173.13292	2.0
175.07603	2.5
175.11299	2.7
175.14833	100.0
176.15237	1.4
178.37228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.62414	0.8
53.89931	0.8
55.05515	5.3
69.07069	18.7
70.81150	2.2
79.05501	2.7
81.07082	4.0
83.08624	4.2
84.01197	0.9
90.66283	0.8
91.05479	5.9
92.73665	0.9
93.07059	2.5
95.08604	5.0
105.07034	17.9
107.08585	3.2
117.07018	3.6
119.08587	71.3
121.10131	2.2
129.06953	1.0
131.08572	2.8
133.10139	59.7
134.10533	0.9
145.10141	6.6
146.10962	1.0
147.11694	10.0
151.70865	0.9
160.05232	0.8
160.12471	3.0
173.13361	1.0
175.14833	100.0
176.15109	1.7
182.94914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	1.3
55.01879	0.9
55.05513	7.2
56.96546	1.9
57.07059	0.9
65.03948	1.0
67.05489	2.9
69.03436	1.5
69.06717	1.2
69.07066	12.0
69.50086	1.4
69.50497	5.3
70.06587	2.5
75.46288	1.0
79.05492	4.4
79.08532	0.8
81.07059	14.7
83.08608	3.4
85.02905	1.8
91.05480	21.9
93.07047	7.6
95.04956	0.9
95.08601	10.6
97.02880	3.3
98.03665	0.9
98.97587	1.0
98.97816	1.4
98.98464	14.9
103.05493	2.0
104.06273	1.0
105.07034	43.4
107.08601	7.6
109.10150	1.3
111.04440	1.3
115.03947	0.9
115.05463	2.9
116.98675	0.9
117.07024	4.3
119.04932	3.8
119.08583	75.0
121.10128	1.5
128.06204	1.1
129.06990	2.9
130.06526	1.4
131.08553	7.2
132.05696	2.4
132.95863	2.6
133.06512	1.8
133.10133	46.9
139.03899	1.0
143.04944	1.1
144.05722	1.1
145.10112	3.7
146.10912	3.1
147.04436	8.6
147.08054	3.9
147.11693	15.8
151.93839	1.5
157.10109	2.2
160.05214	2.5
160.12471	1.1
173.13254	1.4
175.03911	3.7
175.06085	2.3
175.07559	8.9
175.11276	6.8
175.14828	100.0
176.15117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.95782	0.4
55.05515	2.5
57.07071	0.6
67.05488	1.3
69.03413	0.5
69.07072	8.4
69.66100	2.2
79.05485	2.1
81.07062	3.9
83.08617	1.4
91.05492	8.3
93.07062	2.7
95.08606	2.6
98.98474	5.1
105.07034	17.0
107.08600	3.1
115.05437	0.6
117.07006	2.3
119.08585	46.7
121.10152	1.2
127.03848	0.5
129.07005	1.1
131.08554	3.2
132.09366	0.7
133.10135	46.3
134.10884	0.8
144.09315	1.0
145.10130	8.1
147.04413	1.3
147.11696	21.0
149.95578	0.4
157.04280	1.6
157.10088	1.4
159.11705	4.5
160.05289	0.7
160.12486	6.4
161.13217	1.2
173.13300	1.7
175.03889	1.0
175.07578	1.3
175.11287	2.4
175.14830	100.0
176.15172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02368	1.1
53.03942	1.0
55.01878	5.6
55.05526	6.5
56.96572	30.2
57.03431	2.4
57.07066	0.6
61.02906	0.8
63.80860	0.6
65.03935	1.9
67.05512	11.2
68.74609	0.7
69.03421	1.9
69.07075	5.6
70.06601	1.2
71.04993	1.6
71.57390	0.9
72.08147	1.7
79.05501	15.9
81.03423	5.6
81.07066	13.7
82.06602	0.6
83.05004	3.7
83.08636	5.5
85.02906	1.8
91.05490	80.2
93.07053	7.0
94.01820	6.9
95.04974	8.0
95.08611	2.5
96.73515	0.6
97.02906	2.5
97.06531	4.2
98.03690	0.9
98.98472	13.1
103.02333	8.8
103.05469	2.0
103.08951	1.0
103.52505	0.8
105.03428	0.8
105.07041	29.0
105.52561	0.9
107.04295	1.0
107.04965	8.4
107.08599	2.6
109.06509	2.6
109.10206	0.8
111.04433	1.2
111.95362	0.6
112.02816	1.0
113.02590	4.5
115.04127	1.3
115.05464	7.8
116.06239	1.9
116.07015	0.7
117.07048	3.6
119.04951	2.3
119.08593	36.7
120.05189	0.8
120.81522	0.7
121.04166	1.2
121.06489	1.8
121.10146	0.7
121.55622	0.7
122.03098	2.1
125.04353	3.4
127.00706	0.9
127.03935	1.1
128.04898	0.7
128.06236	1.9
129.05634	1.5
129.07014	27.9
131.08580	27.8
132.05682	0.9
133.06503	6.5
133.10138	24.9
133.56976	0.8
134.04904	17.4
134.55083	1.2
137.09625	0.9
138.06161	0.8
139.00639	2.0
142.07805	8.4
142.57416	1.2
143.05431	62.3
143.55634	3.9
144.05704	1.2
145.06422	0.9
145.10133	2.8
145.55711	3.6
146.05986	0.7
146.07217	0.8
147.04431	4.4
147.08093	5.8
147.11696	16.8
151.57883	0.6
151.63341	1.2
151.93741	0.8
152.04791	1.2
152.05948	18.1
152.56125	1.2
154.08260	1.1
154.56213	7.9
155.06273	1.2
155.08607	0.8
157.01733	5.6
157.10144	40.6
160.05194	6.9
160.08797	1.5
160.12474	0.8
161.06384	0.7
163.56773	2.4
166.07057	0.7
173.09703	0.6
175.02676	3.0
175.04048	1.5
175.06061	1.3
175.07602	12.2
175.11197	100.0
175.14796	15.6
176.11578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
55.01879	0.7
55.05510	7.1
56.96557	1.1
57.07078	1.4
58.34627	0.6
63.12647	0.5
66.41826	0.6
67.05494	2.6
68.91174	0.5
69.03434	1.1
69.07074	17.9
70.06601	0.8
71.56690	0.7
71.57097	0.9
79.05495	1.7
81.07056	4.9
83.04991	1.0
83.08619	2.9
85.02892	0.9
91.05487	9.8
93.07069	3.2
95.08615	4.4
97.02888	2.7
98.97643	0.8
98.98473	7.3
105.07033	20.5
107.08595	3.8
111.04391	0.8
114.96987	0.7
115.03942	1.0
115.05447	1.1
117.07011	2.4
119.04973	1.2
119.08588	68.3
120.08914	0.7
121.10147	1.7
125.02319	1.0
127.03937	1.5
128.06247	0.7
129.03368	0.5
129.07028	1.6
131.08589	3.3
132.95894	0.7
133.10138	63.4
145.10146	5.1
147.04442	3.8
147.11696	10.6
157.09985	0.7
159.11667	0.8
160.05176	0.7
160.12480	2.4
173.13251	2.3
175.03976	0.8
175.06129	1.1
175.07428	2.8
175.11385	2.1
175.14836	100.0
176.15205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
53.67533	0.6
55.01877	4.8
55.05497	2.7
56.96333	0.8
56.96568	8.9
57.03439	7.5
60.95847	1.0
62.55285	0.7
65.03935	1.0
67.05505	14.7
69.03421	1.2
69.07066	3.9
70.13540	1.5
70.13937	1.2
70.98129	8.8
71.16967	0.7
72.08163	1.0
74.97418	1.1
77.03954	0.7
79.05499	12.3
81.03422	8.6
81.07063	10.3
83.08620	0.9
85.02902	1.1
88.99148	2.4
91.05484	37.5
92.05796	0.8
93.07040	6.0
95.04974	7.4
95.08575	1.7
97.02888	2.0
97.06525	1.3
98.98473	9.8
103.05482	1.2
105.07034	23.6
107.04955	7.0
107.08586	1.9
109.06536	1.6
109.10169	5.6
111.04423	1.0
115.03992	0.9
115.05441	3.7
116.06287	1.0
117.07005	3.1
119.04922	2.2
119.08587	41.2
121.06504	2.5
124.04631	0.8
126.73132	0.7
127.03922	1.1
128.06198	1.9
129.07007	22.5
131.05452	4.9
131.08582	15.9
132.05725	0.6
133.06488	12.1
133.10138	11.5
140.05949	4.4
140.56047	0.8
141.07060	0.9
142.07774	11.1
142.56219	1.4
143.06343	0.7
145.06496	1.5
145.10107	2.5
146.07245	6.2
147.04408	2.0
147.08052	14.9
147.11699	15.0
157.06535	1.2
157.10135	31.1
160.05278	0.9
160.08788	1.5
173.11821	1.4
175.07826	2.1
175.11191	100.0
175.14539	4.7
176.11554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.51815	0.6
53.03943	1.5
55.01880	6.7
55.05522	4.4
56.96573	8.7
57.03435	2.3
57.07058	0.8
64.74934	0.7
65.03936	1.3
67.05511	11.3
69.03432	2.3
69.07069	4.7
69.96432	1.9
69.96835	2.1
70.98118	5.6
71.04992	0.8
72.08141	1.0
79.05503	15.7
79.46548	0.7
81.03419	5.9
81.07064	11.8
83.04972	2.6
83.08620	1.1
85.02891	1.2
88.99154	1.1
89.02613	0.7
91.05489	66.2
93.07054	8.8
93.12683	0.9
95.04977	6.9
95.08595	2.1
95.77047	0.8
97.02907	2.0
97.06547	1.8
98.98473	14.1
105.03658	0.7
105.07043	30.2
107.04948	7.3
107.08595	2.5
109.06489	1.4
109.10172	4.1
111.04457	0.8
115.05475	4.7
116.06232	1.6
117.07020	3.3
119.04951	2.8
119.08593	27.3
121.06522	2.1
122.04998	0.7
122.06750	3.0
122.56933	0.8
124.04649	0.9
126.56139	0.8
127.03944	1.0
128.06200	2.2
129.07016	32.2
131.05426	3.0
131.07281	1.8
131.08580	31.7
131.57455	0.9
133.06509	10.4
133.10143	17.8
133.92885	0.8
134.04901	1.1
139.74843	0.8
140.05946	3.3
141.06927	1.4
142.07799	10.4
142.56230	0.9
143.05446	1.7
145.06819	2.0
145.10104	2.3
147.04433	2.3
147.08083	5.1
147.11696	16.2
151.58307	0.8
151.63339	0.9
151.93895	0.9
152.05869	0.8
154.07324	0.8
157.10144	38.0
175.03902	1.5
175.07587	3.3
175.11201	100.0
175.14684	8.1
176.11575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.86879	0.4
55.01895	0.5
55.05513	6.4
56.96562	2.5
57.03444	1.5
57.07073	2.1
58.07411	0.6
59.05009	0.9
65.03957	0.6
67.05510	4.6
68.00278	0.6
69.03426	0.8
69.07084	1.2
69.55986	3.1
70.98126	0.6
71.04996	0.6
71.08638	1.6
72.08971	0.6
72.93790	2.5
74.06095	0.9
76.02252	0.5
79.05496	2.2
81.03414	0.5
81.07050	2.8
83.04976	5.4
83.08617	0.7
85.06554	0.6
88.07641	2.8
89.07979	1.5
90.90389	6.2
90.94847	1.1
91.05492	6.6
93.07073	0.8
95.04982	0.5
95.08623	0.6
98.97600	1.3
99.08078	0.7
100.02461	0.7
101.06017	3.8
102.09189	1.0
103.05470	0.4
103.09548	1.7
105.07038	8.8
107.08605	0.5
108.91441	0.7
109.10171	1.6
111.02084	0.6
111.04451	6.9
114.05520	0.6
115.05514	1.5
116.06238	1.7
116.98602	0.6
117.07024	6.9
119.08581	9.5
120.02599	1.4
127.07577	0.8
128.06218	1.2
129.03101	2.0
129.05560	2.8
129.07021	7.8
130.07788	2.7
131.00182	0.5
131.08572	62.8
131.92984	2.9
132.08920	0.5
133.10133	1.8
141.05640	0.5
142.07712	0.7
143.08566	16.2
144.09349	5.5
145.06490	1.1
145.07616	0.8
145.10124	22.3
149.94077	5.3
149.96109	1.1
152.04695	0.6
155.03444	0.7
155.07066	4.8
155.08328	0.9
156.09404	1.4
157.10080	1.5
158.07385	1.1
158.10913	28.8
159.11635	1.0
161.56841	0.5
167.97214	0.7
171.11693	1.8
172.95692	1.0
173.02332	0.7
173.08151	9.9
173.09666	7.1
173.13264	100.0
173.17322	15.9
173.73051	0.5
174.12582	0.7
174.13805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05275	1.3
55.05514	22.7
56.05831	1.7
56.96560	3.2
57.03424	3.9
57.07073	2.4
59.05006	7.8
62.65825	0.9
65.03938	1.5
67.00520	1.0
67.05508	100.0
67.69354	1.2
69.03437	1.7
69.07055	3.0
69.21420	9.4
71.04984	4.1
71.08625	1.8
72.93770	1.7
73.93094	0.9
74.63928	0.9
79.05497	6.0
81.03410	1.9
81.07061	17.2
83.04994	11.2
83.08634	7.2
85.06524	4.2
87.04426	1.1
90.90371	1.8
90.94815	1.2
91.04961	1.7
91.05485	19.5
93.07056	5.0
95.04952	1.5
95.08617	6.3
98.97599	1.3
99.08040	1.4
101.06026	8.0
105.07038	9.6
107.04958	3.0
107.08595	2.4
109.10161	70.0
111.04446	14.8
111.08068	2.2
113.06013	1.4
115.05441	3.1
116.06243	2.5
117.07035	17.5
119.08575	9.6
127.07562	1.8
127.11086	1.3
128.06181	1.0
129.03073	0.9
129.05496	3.8
129.06976	7.0
130.07776	3.2
131.04927	1.9
131.08580	54.1
132.05798	1.5
137.09549	1.8
143.08585	4.8
143.56807	1.5
144.05577	1.2
144.09320	5.2
145.06487	6.7
145.10132	26.3
149.55592	1.1
149.94031	1.4
155.06090	1.1
155.07034	9.4
155.08511	3.6
155.10669	1.6
158.07246	2.6
158.10930	5.2
166.12280	1.3
173.02342	2.0
173.05879	1.5
173.08134	16.9
173.09637	17.1
173.11800	6.9
173.13254	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	171.1013
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03957	1.9
55.01880	7.0
55.05513	100.0
56.05844	0.5
56.96568	2.8
57.03444	1.3
57.07079	1.7
59.04997	3.0
61.14979	0.3
65.03940	0.4
65.29997	0.3
67.05509	11.9
68.95306	0.6
69.03432	6.5
69.07072	13.7
69.56387	2.2
71.05003	0.6
72.04518	7.9
73.02945	1.5
77.73475	0.3
79.05497	16.5
81.07059	16.6
83.00771	0.4
83.04984	5.4
83.08620	44.1
85.02914	1.2
85.06553	0.7
87.01014	0.4
87.04464	1.0
89.00778	0.7
89.07159	7.4
91.05483	2.4
93.07057	3.8
95.04971	0.3
95.08622	0.8
97.02917	0.4
97.06540	0.8
97.10174	55.6
97.99161	0.6
98.10496	0.6
98.97584	2.1
100.11256	0.5
101.00764	0.9
101.05990	0.6
101.09669	2.3
103.52091	0.4
105.07024	1.4
107.08597	14.5
109.06529	0.9
109.10159	0.4
110.01276	1.6
110.97582	0.7
111.04427	0.8
111.08118	1.6
115.05442	0.5
116.98614	0.4
117.07016	0.8
119.01807	3.1
121.52060	1.0
125.06010	0.8
125.09635	14.7
126.09156	0.4
127.04082	0.4
128.02325	3.5
128.06245	1.7
128.88098	0.3
128.98601	0.7
129.07005	2.6
130.15955	0.3
130.52574	1.8
135.08049	1.6
137.02808	1.1
139.03923	0.5
139.53122	1.5
141.06992	0.5
142.03381	0.5
142.07777	0.5
143.08566	3.3
148.53644	0.5
151.03934	0.4
153.05434	0.8
156.09334	1.6
163.03917	0.6
171.05466	0.5
171.10199	0.3
171.11690	7.0
171.14934	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	169.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84050	0.2
55.83425	0.2
57.03441	7.4
59.06639	0.2
63.67892	0.2
63.96169	0.2
66.46446	0.2
70.72192	0.4
70.72559	0.4
75.26768	0.2
75.50468	0.2
93.07014	0.3
109.02913	0.3
109.10172	0.3
113.00023	100.0
114.00391	0.2
126.03095	0.2
131.01070	0.6
133.10127	0.5
139.01544	0.8
141.05444	0.3
151.11247	0.3
154.02638	0.6
169.02623	11.5
169.07518	0.2
169.09944	0.2
172.70680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
54.38929	3.8
55.01868	10.9
55.03829	4.1
56.96568	57.7
57.03436	18.4
61.02923	13.5
64.78661	4.3
67.05516	5.7
67.92511	6.5
69.03415	15.9
70.06593	18.3
71.55669	7.1
73.02921	28.3
75.01051	13.8
76.02703	4.5
81.01028	4.0
81.03411	13.9
82.01407	6.7
82.37259	4.7
82.50213	4.1
82.94846	13.3
84.01582	29.6
84.99580	4.0
85.02914	22.0
86.03705	9.7
87.01893	6.2
88.02689	9.4
89.00783	4.1
93.02082	11.9
94.02690	12.4
94.06572	10.7
96.01557	14.4
97.02878	52.4
98.01228	5.1
98.97597	33.5
100.02530	10.7
100.99139	5.2
101.00861	14.8
102.01573	6.5
102.02338	6.0
103.00640	33.3
103.02354	19.3
103.03201	14.2
103.07124	5.1
104.00953	11.9
104.52876	5.5
109.02290	9.5
109.02985	6.8
110.01289	9.1
111.02055	7.4
112.99149	11.0
113.00871	19.7
115.02430	13.2
116.07072	13.0
116.54581	4.4
116.98615	6.4
117.02065	6.4
118.02834	12.0
118.03571	6.2
119.01845	33.0
120.03465	5.8
121.01676	43.0
122.01957	25.6
122.06028	13.2
123.02071	6.6
123.97508	5.5
127.02431	8.0
127.03938	10.5
131.00200	51.8
131.01891	38.8
133.03445	34.7
139.02693	7.1
140.03107	4.8
141.04050	13.8
143.01956	4.8
144.03230	22.2
144.94829	7.5
144.98083	6.9
145.03529	66.2
147.03078	33.8
148.04735	15.7
149.01224	69.0
150.05505	100.0
151.04524	10.9
154.03464	10.0
156.03595	60.7
156.53819	7.0
162.95869	8.4
162.99173	7.6
163.04556	8.6
167.02245	10.5
168.06502	38.3
168.10133	5.8
169.03572	17.1
174.03700	9.2
175.04536	15.4
184.29192	4.4
187.04446	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	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50373	1.1
53.00295	1.1
53.03941	5.1
55.01868	3.3
55.05514	19.9
56.96569	18.2
57.03439	8.3
57.07064	4.2
59.05003	6.0
65.03926	3.7
67.05178	1.7
67.05514	31.6
69.03433	6.9
69.06724	1.5
69.07075	22.6
69.58342	1.2
71.05000	36.6
71.57237	1.1
73.06560	16.2
77.03914	2.1
78.04720	6.8
79.05065	1.8
79.05504	33.4
81.03398	1.9
81.07064	35.3
82.06577	3.3
83.04989	6.5
83.08633	10.4
84.96029	11.1
85.06548	3.4
87.08141	1.2
91.05482	18.1
93.03412	1.3
93.06474	2.4
93.07052	47.5
94.04219	1.8
94.07388	1.1
95.04984	7.7
95.08614	100.0
97.02863	1.9
97.06555	10.6
97.10175	1.8
97.99177	3.5
100.02515	1.3
101.02599	1.8
102.02210	1.3
102.97119	1.4
103.00637	10.0
103.05472	2.0
103.08882	3.6
105.03407	18.0
105.07052	10.8
106.04190	2.2
107.04961	10.3
107.08604	83.5
108.05743	1.9
109.02868	1.5
109.06529	43.1
109.10162	23.9
111.04453	1.7
111.08110	7.7
115.04118	1.5
116.00260	2.2
119.08554	2.1
121.01670	28.0
121.02322	1.0
121.06520	10.3
121.08483	2.4
121.10152	33.7
123.04454	13.8
123.08048	11.0
123.11691	7.2
124.04499	2.4
124.05229	5.6
125.05998	3.9
125.09642	20.5
126.06062	1.4
126.54921	2.1
128.56326	1.3
128.97865	1.7
131.08560	5.5
135.05672	2.9
135.08067	3.5
139.02719	5.1
139.07545	13.6
139.11186	3.4
144.03238	23.6
149.01285	1.1
149.02374	4.5
149.06003	3.8
149.09590	9.2
149.13272	27.6
151.03917	2.8
152.04703	3.6
153.07820	2.4
162.04324	5.6
163.39017	1.3
167.03372	3.3
167.04843	2.9
167.07047	68.5
167.10651	15.0
167.11896	2.3
167.14291	15.6
167.15535	1.3
168.10222	9.6
175.02818	7.6
181.84221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.22961	0.7
53.03944	2.6
55.01875	1.4
55.05513	10.5
56.96574	4.0
57.07082	1.4
57.78241	0.7
59.05001	2.7
62.39243	0.6
65.03942	0.9
67.05502	5.2
67.26388	0.7
69.03433	2.3
69.07072	40.6
69.25896	7.0
70.16376	0.7
70.98102	1.3
77.03970	0.9
79.05499	18.7
81.07057	13.8
83.04985	2.1
83.08627	2.7
84.96048	3.0
85.06525	0.8
91.05492	12.7
93.07050	77.8
94.07378	0.9
95.04974	2.1
95.08608	14.1
97.06541	5.8
97.10180	2.0
103.00640	4.2
103.05472	1.3
105.04575	0.9
105.07035	20.0
106.07809	1.1
107.04958	1.6
107.08600	5.3
109.06527	2.5
109.10188	1.0
111.04440	1.1
111.11729	9.5
119.08601	3.6
121.01674	8.8
121.06538	1.5
121.10152	100.0
122.10490	1.6
123.04472	1.1
123.08087	3.5
123.11716	0.9
126.02201	1.1
131.08562	0.8
133.07597	2.0
135.06499	0.7
139.02672	1.3
139.07527	2.8
139.11201	5.0
144.03253	8.1
146.57274	0.8
149.02353	0.9
149.09636	16.2
149.13414	0.8
162.04335	2.0
163.03955	1.2
167.03436	1.1
167.07071	5.9
167.08438	1.6
167.10684	46.9
167.14363	1.9
179.71986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.50373	1.1
53.00295	1.1
53.03941	5.1
55.01868	3.3
55.05514	19.9
56.96569	18.2
57.03439	8.3
57.07064	4.2
59.05003	6.0
65.03926	3.7
67.05178	1.7
67.05514	31.6
69.03433	6.9
69.06724	1.5
69.07075	22.6
69.58342	1.2
71.05000	36.6
71.57237	1.1
73.06560	16.2
77.03914	2.1
78.04720	6.8
79.05065	1.8
79.05504	33.4
81.03398	1.9
81.07064	35.3
82.06577	3.3
83.04989	6.5
83.08633	10.4
84.96029	11.1
85.06548	3.4
87.08141	1.2
91.05482	18.1
93.03412	1.3
93.06474	2.4
93.07052	47.5
94.04219	1.8
94.07388	1.1
95.04984	7.7
95.08614	100.0
97.02863	1.9
97.06555	10.6
97.10175	1.8
97.99177	3.5
100.02515	1.3
101.02599	1.8
102.02210	1.3
102.97119	1.4
103.00637	10.0
103.05472	2.0
103.08882	3.6
105.03407	18.0
105.07052	10.8
106.04190	2.2
107.04961	10.3
107.08604	83.5
108.05743	1.9
109.02868	1.5
109.06529	43.1
109.10162	23.9
111.04453	1.7
111.08110	7.7
115.04118	1.5
116.00260	2.2
119.08554	2.1
121.01670	28.0
121.02322	1.0
121.06520	10.3
121.08483	2.4
121.10152	33.7
123.04454	13.8
123.08048	11.0
123.11691	7.2
124.04499	2.4
124.05229	5.6
125.05998	3.9
125.09642	20.5
126.06062	1.4
126.54921	2.1
128.56326	1.3
128.97865	1.7
131.08560	5.5
135.05672	2.9
135.08067	3.5
139.02719	5.1
139.07545	13.6
139.11186	3.4
144.03238	23.6
149.01285	1.1
149.02374	4.5
149.06003	3.8
149.09590	9.2
149.13272	27.6
151.03917	2.8
152.04703	3.6
153.07820	2.4
162.04324	5.6
163.39017	1.3
167.03372	3.3
167.04843	2.9
167.07047	68.5
167.10651	15.0
167.11896	2.3
167.14291	15.6
167.15535	1.3
168.10222	9.6
175.02818	7.6
181.84221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	Ferulol
Peak:m/z	Relative Intensity
53.00306	0.4
53.03943	1.6
53.21281	0.4
55.01874	0.6
55.60907	0.4
56.96560	0.8
59.04990	0.5
65.03939	1.1
67.05510	1.2
71.05001	2.0
71.15317	0.4
71.28000	0.7
71.28329	0.5
72.08178	0.4
72.46291	0.4
77.03931	0.7
78.04712	1.2
79.05495	8.4
81.03416	0.6
81.07047	0.8
83.04984	0.7
84.96028	0.9
85.02926	0.5
91.05484	13.7
92.02621	0.4
93.03395	0.7
93.07043	4.1
95.04958	4.1
97.06522	1.5
101.06032	0.6
103.00621	2.9
105.04513	0.9
105.07026	1.5
106.04202	0.7
107.04956	52.3
107.08598	4.8
109.06535	2.1
109.30746	0.4
111.04465	0.4
115.05459	1.0
117.07023	1.1
119.06119	0.9
121.01677	4.1
121.06505	100.0
121.10133	1.6
122.06864	1.3
123.04458	1.0
123.08074	2.3
124.05223	0.9
125.06001	1.6
125.09555	0.4
130.09622	0.4
134.07301	0.6
135.08055	92.6
136.08339	0.8
137.09618	0.9
139.02715	0.5
139.07597	1.9
143.03900	0.4
144.03235	4.3
149.02293	0.7
149.09622	9.1
162.04254	0.4
167.07022	4.4
167.10663	5.8
167.11934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03949	2.0
55.01865	0.7
55.05511	0.7
56.05059	0.3
56.96556	0.6
64.58270	0.3
65.03923	0.8
66.04711	0.9
67.05518	0.7
67.52122	0.3
70.80695	0.8
71.04980	0.6
77.03919	1.2
78.04713	12.6
79.05495	15.3
81.03403	0.5
81.07058	2.8
83.04971	0.6
83.97756	0.3
86.40852	0.3
91.05476	3.7
93.03407	0.4
93.07036	1.4
94.04177	1.3
95.04976	2.9
95.08685	0.3
96.05737	1.2
97.06540	0.4
97.43058	0.3
103.00640	0.9
105.03352	0.9
105.04501	1.0
105.07008	0.5
106.04181	5.3
107.04958	24.8
107.08603	2.0
108.05765	0.4
109.02876	0.8
109.06500	1.3
111.04471	0.4
111.08120	0.4
121.01640	1.9
121.06509	13.7
121.10135	1.0
122.03669	2.2
123.04429	21.8
123.08035	0.7
124.05219	8.3
125.05982	1.1
126.05626	0.3
134.03604	1.5
135.04420	0.5
135.08049	12.7
137.06000	1.2
139.02760	0.3
139.07588	1.6
144.03242	2.2
149.02367	0.8
149.05972	0.6
149.09584	1.7
151.03903	4.3
152.04681	5.8
162.04263	0.3
167.07039	100.0
168.07376	0.9
182.77873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
55.01871	0.8
55.05518	5.2
56.96569	1.5
57.03442	4.5
61.02928	2.6
67.05515	3.4
68.05015	1.1
69.03435	13.4
69.07081	2.5
70.61784	1.1
71.04992	2.4
73.02917	0.7
78.17533	0.6
79.05495	2.6
81.03417	1.8
81.07064	7.8
82.01431	0.7
82.99855	2.4
83.01503	1.0
83.04988	5.2
83.08625	2.6
85.02908	5.2
91.03956	1.1
91.05495	5.0
93.07056	2.0
95.04974	100.0
95.08593	3.7
99.04462	2.6
100.02541	0.8
101.00883	18.4
101.02554	3.0
103.03961	0.7
105.07027	3.8
107.08602	10.9
109.06528	22.0
109.10135	1.8
111.04446	2.0
119.01928	38.8
119.03643	1.4
119.04935	4.7
119.08611	4.0
121.10141	2.5
123.08097	1.4
123.11715	1.3
124.02447	4.5
128.97832	1.1
129.05446	1.4
131.62183	2.5
137.02962	8.1
137.09608	1.5
137.13272	1.7
142.03508	39.8
143.03568	0.6
146.62666	1.1
147.04425	9.9
147.06497	2.3
147.07677	0.7
147.10635	1.0
147.11703	10.5
150.84526	0.6
153.14587	0.7
160.04578	8.4
165.05180	2.3
165.07507	2.6
165.08987	1.2
165.12761	69.4
166.13062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03940	3.8
55.01868	3.6
55.05503	9.1
57.03442	12.5
61.02925	2.7
67.05177	3.0
67.05509	40.6
69.03433	22.6
69.07071	7.0
70.27986	1.5
71.04987	3.1
79.05494	31.4
81.03424	3.0
81.07059	72.1
82.01452	1.4
82.99826	1.9
83.04992	13.2
83.08645	1.5
85.02904	6.7
85.06567	3.5
91.05485	36.3
93.07046	36.9
95.04974	10.3
95.08612	19.5
97.06542	7.7
98.20676	2.1
99.04481	1.5
101.00888	21.9
101.02567	5.8
103.03945	2.1
105.07037	60.4
107.08600	21.5
109.06532	11.5
109.10150	6.3
111.04469	3.8
119.01928	36.2
119.04958	4.4
119.08591	55.4
121.10148	66.7
123.08067	6.9
123.11707	8.3
124.02459	4.7
129.05467	2.2
131.62186	3.7
137.02959	4.1
137.09647	3.1
142.03505	38.4
146.62740	2.0
147.04424	12.3
147.11694	100.0
160.04602	8.3
165.05356	2.8
165.07555	3.7
165.12762	94.0
166.05112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03940	2.6
55.01870	3.1
55.05510	8.6
56.96560	2.2
57.03185	1.0
57.03440	12.1
57.07053	0.8
61.02929	5.4
65.03937	1.6
66.91792	0.7
67.05505	23.7
69.03429	32.6
69.03808	1.6
69.07067	7.6
69.70377	2.1
69.70786	1.7
71.04993	5.4
73.02916	2.4
73.80984	0.6
77.58701	0.6
79.05494	24.2
81.03424	4.7
81.07058	67.9
82.01422	1.4
82.07405	1.1
82.99825	4.6
83.01543	1.9
83.04986	15.4
83.08619	1.7
85.02908	10.1
85.06531	3.1
87.04480	1.6
91.03942	0.9
91.05482	25.7
93.07047	23.5
95.04969	9.2
95.08607	14.7
97.06540	6.5
98.20731	0.9
99.04449	4.7
100.02464	4.1
101.00881	46.8
101.02571	5.4
102.02264	1.1
103.03954	2.2
103.05474	1.1
105.07033	41.0
107.08595	14.9
109.06526	9.1
109.10165	3.1
111.04442	5.1
111.50346	0.7
117.07013	1.0
119.01923	99.8
119.03663	2.5
119.04926	5.2
119.08582	30.3
119.09466	1.0
119.97375	1.3
120.02001	1.2
120.08070	1.0
121.10146	29.1
123.08096	5.2
123.11700	4.4
124.02443	13.5
124.04137	0.9
129.05476	2.7
131.62163	1.3
133.06754	0.7
137.01953	1.5
137.02959	20.1
137.05977	0.9
137.09596	2.5
137.13318	1.6
137.62175	1.0
140.48602	0.6
142.03502	100.0
142.96680	0.9
143.03644	2.1
147.04398	12.0
147.06514	3.1
147.11690	56.6
151.06984	0.8
160.04556	22.8
164.92046	0.7
165.05185	11.6
165.07570	3.6
165.09103	2.7
165.12759	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.87952	0.8
53.03949	1.7
55.01863	3.5
55.05513	6.0
56.96562	1.3
57.03433	7.3
57.07079	1.4
62.46540	1.1
65.03938	2.2
67.05511	31.1
69.03430	12.0
69.07066	7.0
70.49889	2.9
71.04977	2.3
71.36497	0.9
79.05497	33.1
81.03436	1.2
81.07061	80.2
82.07423	0.8
82.99866	2.1
83.04987	7.9
83.08648	1.3
85.02898	2.8
85.06543	4.0
85.32805	1.0
91.05488	38.9
93.07048	39.2
93.07631	2.0
95.04993	6.1
95.08051	1.5
95.08615	20.7
97.06551	7.9
99.04499	1.3
101.00891	10.9
101.02587	1.1
103.05432	1.1
105.07039	68.4
107.08604	23.0
109.06531	10.1
109.10142	3.4
110.97382	0.9
111.04488	1.4
119.01934	18.6
119.04953	3.0
119.08591	51.4
121.04149	1.5
121.10148	64.8
122.07191	0.8
123.08077	5.8
123.11703	10.9
124.02441	2.7
132.09409	0.9
137.02933	2.7
137.09625	2.7
137.13258	2.2
137.70241	1.0
142.03502	17.6
145.10120	1.3
147.04414	5.4
147.11694	100.0
148.12059	1.5
159.18646	0.9
160.04585	3.2
165.05194	1.6
165.12767	81.9
182.96591	0.8
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
53.03939	2.2
55.01863	3.4
55.05518	6.9
57.03434	13.2
57.07062	1.1
61.02923	2.0
62.84118	0.8
64.89058	0.9
65.03944	1.4
67.05506	31.5
67.05871	1.6
69.03429	15.8
69.07063	8.8
70.70841	2.8
71.04978	3.7
79.05492	35.8
81.03423	1.7
81.07056	100.0
82.99843	3.4
83.01530	1.2
83.04984	12.3
83.08601	2.0
85.02895	4.1
85.06532	3.6
90.03889	0.9
91.05480	38.0
93.07043	36.7
95.04982	9.0
95.08051	1.8
95.08608	20.3
97.06523	9.8
99.04466	1.4
99.08053	1.1
100.02451	1.7
101.00878	29.0
101.02560	2.3
105.07029	53.8
107.08600	20.7
109.06522	12.8
109.10121	3.6
111.04432	2.6
119.01054	1.5
119.01923	48.7
119.04925	3.4
119.08584	49.5
120.02081	1.0
121.10146	49.8
123.08081	7.2
123.11724	7.7
124.02456	7.4
126.06043	1.9
131.62192	1.3
133.06754	1.2
137.02945	8.1
137.09639	2.7
137.13214	1.9
142.03505	50.4
143.03609	1.0
145.10150	1.9
147.04390	5.9
147.06456	1.9
147.11688	87.1
148.11960	1.4
160.04567	9.2
165.05141	3.8
165.07491	2.2
165.12753	84.6
166.13101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03943	2.1
55.01857	2.8
55.05513	6.1
56.96546	1.6
57.03439	10.4
61.02915	3.9
63.45581	0.9
64.66309	0.8
65.03925	1.3
67.05506	13.7
69.03078	1.6
69.03427	24.3
69.07060	3.4
71.04974	3.7
71.56966	1.2
73.02901	1.9
79.05492	15.5
81.03410	2.5
81.07058	40.0
82.01446	2.2
82.61623	1.0
82.99841	6.6
83.01529	1.8
83.04975	10.8
84.27392	0.8
85.02914	7.3
85.06548	1.1
87.04433	0.8
91.05486	15.7
93.07046	14.0
95.04967	5.4
95.08603	8.4
97.06518	3.7
99.04449	3.1
100.02485	4.1
101.00883	49.5
101.02531	4.3
105.07034	20.1
107.08601	8.3
109.06535	6.6
109.10137	2.2
109.72484	0.9
111.04459	4.0
117.05559	0.9
117.07063	0.9
118.03509	2.2
119.01922	100.0
119.04906	4.8
119.08582	17.7
119.97253	2.2
120.02016	1.7
121.10151	17.1
123.08055	3.9
123.11698	2.7
124.02440	12.0
129.05476	3.5
131.62173	2.7
137.02957	18.4
137.05954	0.9
137.09612	1.9
137.62140	1.4
142.03502	98.9
142.96733	2.0
143.03603	2.7
146.64381	0.8
147.04396	12.8
147.06494	3.0
147.08324	1.0
147.11688	38.2
160.04556	17.5
160.05782	1.5
163.37491	0.9
165.05180	11.9
165.07497	4.1
165.09039	2.0
165.12752	35.3
165.14137	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02351	0.3
53.03944	0.5
55.05501	0.5
56.21256	0.3
57.03428	1.0
62.43122	0.3
65.03934	1.0
69.03428	2.0
70.80526	0.7
70.80872	0.4
73.94495	0.4
76.41891	0.3
79.05478	0.5
81.03398	0.4
81.07068	0.4
82.99833	1.2
83.04964	0.8
85.02896	1.1
91.05483	17.6
95.04961	1.1
95.08639	0.3
95.87491	0.3
99.04462	0.6
101.00877	6.1
105.07016	0.5
109.06494	0.4
111.04433	0.3
111.10030	0.3
115.35056	0.3
119.01931	10.7
119.04948	41.6
119.08569	0.5
123.04443	1.1
123.08067	0.4
124.02439	1.6
129.05502	0.3
131.62198	1.1
132.62910	0.5
137.02950	1.9
137.06007	0.4
137.62178	0.5
142.03511	10.2
147.04414	100.0
148.04761	1.2
160.04590	1.7
165.05447	1.7
165.07597	0.4
165.09109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01866	0.4
55.05506	1.0
56.96554	0.8
57.03443	2.2
57.99006	0.4
59.17179	0.3
60.04527	0.5
61.02926	0.9
65.03938	1.2
65.69240	0.3
67.05507	0.7
69.03426	4.1
70.80933	0.6
70.81279	0.9
71.04996	0.5
74.30056	0.3
79.05484	0.6
80.04987	0.5
81.07041	1.3
82.99851	1.7
83.04981	1.3
85.02918	2.1
91.05489	18.6
93.07024	0.4
95.04958	1.2
95.08595	0.5
96.08115	0.4
99.04463	1.2
101.00889	11.4
101.02549	0.9
103.03963	0.4
103.05495	0.5
105.07030	0.5
107.08616	0.6
109.06533	0.4
109.10174	0.7
111.04436	0.8
111.16251	0.3
119.01934	21.5
119.04951	43.3
119.08553	0.8
119.62190	0.4
120.08138	0.4
123.04436	1.6
123.08028	0.4
124.02466	3.0
127.61917	0.4
129.05508	0.8
131.62157	2.4
137.02974	4.1
137.62157	1.5
142.03510	22.9
146.62706	0.5
147.04419	100.0
153.14696	0.3
160.04593	4.4
165.05493	2.6
165.07578	0.7
165.09108	0.8
165.12730	0.5
165.14558	0.3
170.97035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45726	0.6
55.88000	0.6
62.89963	0.6
65.76766	0.5
69.66550	2.7
82.99843	10.4
95.01933	0.6
100.02486	1.4
101.00885	68.7
108.41878	0.6
119.01925	97.5
120.02127	0.5
124.02460	15.7
137.02959	13.0
142.03500	100.0
151.45467	0.7
160.03348	1.0
160.04567	15.1
165.05133	1.5
170.07152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81399	0.6
71.06631	0.6
71.06967	1.0
72.02412	0.6
73.26170	0.6
73.33099	0.6
82.01439	1.0
82.99852	7.3
100.02492	1.4
101.00892	56.2
102.00999	0.8
113.91429	0.5
119.01933	86.9
120.01998	0.9
121.78968	0.5
124.02463	15.6
137.02968	12.8
138.83719	0.6
142.03514	100.0
143.03644	1.4
160.04575	14.8
165.05188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.28139	0.3
55.05512	0.4
63.82148	0.3
64.39335	0.3
65.03946	0.9
69.03448	0.7
71.15031	0.5
83.99490	0.3
91.05486	19.2
95.04960	1.1
101.00866	1.6
117.43508	0.3
119.01965	2.8
119.04950	44.8
120.05244	0.6
123.04447	1.0
124.02424	0.4
131.62170	0.8
137.62170	0.5
142.03503	2.9
147.04416	100.0
148.04773	1.0
160.04572	0.5
165.05489	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
57.44611	0.2
62.68655	0.2
63.54758	0.2
65.03951	0.8
67.05511	0.3
69.03426	0.5
70.08363	0.3
71.14836	0.6
73.39354	0.3
81.54077	0.3
83.04972	0.3
85.02893	0.3
85.46764	0.2
91.05487	17.4
93.07058	0.3
95.04961	0.7
101.00894	1.6
119.01962	1.8
119.04951	38.5
120.05322	0.4
123.04445	1.1
124.02468	0.3
131.62169	0.7
132.12805	0.5
137.62152	0.4
142.03485	2.5
147.04417	100.0
148.04762	1.2
150.03542	0.2
160.04590	0.3
164.92613	0.2
165.05482	1.0
165.07327	0.2
184.21118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95790	0.5
64.40388	0.4
70.04512	0.4
70.36775	1.8
82.01434	0.7
82.99843	9.0
87.78673	0.5
98.20824	0.5
100.02480	0.6
101.00885	65.4
102.00974	1.3
111.00397	0.6
119.01927	89.6
120.02022	1.2
124.02457	17.7
137.02957	11.8
142.03506	100.0
143.03604	1.2
160.04564	15.4
163.23555	0.5
165.05127	1.7
173.54990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19777	0.5
57.03437	0.7
65.41708	0.5
70.99882	0.6
71.06758	0.8
71.07079	1.0
82.01452	1.4
82.99844	10.4
85.02895	0.9
89.81027	0.6
100.02493	3.3
101.00883	67.6
102.00966	1.3
119.01920	88.8
120.01997	1.5
120.08057	0.6
124.02445	15.0
137.01967	0.9
137.02969	10.4
137.50496	0.7
142.03502	100.0
143.03639	2.4
160.04572	13.7
165.05074	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03936	6.5
53.56912	1.3
55.01672	1.4
55.01873	20.1
55.05515	9.6
56.96575	9.3
57.03440	9.8
57.07042	2.1
61.02925	2.1
66.40049	1.3
67.05212	1.7
67.05508	16.9
69.03442	11.0
69.03744	2.6
69.07069	10.2
69.51435	11.3
71.04987	4.6
72.50122	1.5
73.02941	1.7
79.05498	51.3
81.03400	5.6
81.07063	23.2
81.43948	1.5
82.01417	3.4
83.00784	2.7
83.04983	4.6
85.02902	2.9
85.05910	1.4
86.54768	1.8
89.03915	11.0
90.86691	1.3
91.05489	33.7
93.07049	70.2
94.51534	2.4
95.04977	16.0
95.08606	20.1
97.06498	2.8
98.97586	10.2
100.02492	3.7
103.05473	12.6
105.03380	2.0
105.04542	2.5
105.07032	34.6
107.04298	2.3
107.04969	28.5
107.08601	55.7
109.06508	5.1
110.01266	2.6
111.96636	1.7
115.05478	4.8
116.06238	2.3
116.98620	3.5
117.03408	7.6
117.05744	1.8
117.07026	36.3
118.03561	2.0
119.01807	3.6
119.04989	2.4
119.08591	22.0
121.06523	17.1
121.10136	17.4
128.02361	1.5
130.07780	12.0
131.04936	12.7
131.12004	4.8
132.08095	2.2
133.02879	4.8
133.06493	2.0
133.10107	3.7
135.04402	19.0
135.08061	10.1
135.11702	36.2
136.04683	1.6
140.00243	2.7
143.08549	3.8
145.02847	8.4
145.06523	1.6
145.10126	60.6
148.08876	2.3
158.99710	1.9
163.03903	44.9
163.07555	4.5
163.11188	100.0
163.14842	5.6
164.04237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	0.8
53.03950	8.8
55.01865	1.8
55.05514	11.5
56.96559	2.0
57.03424	2.7
57.07075	4.6
61.02917	2.4
65.03933	2.0
67.05506	38.9
69.03437	1.3
69.07070	15.4
73.02905	2.3
77.03925	2.0
79.05496	78.6
81.03448	1.3
81.07059	56.1
82.01439	1.3
83.08627	9.8
85.02891	3.2
89.06003	1.5
91.03951	1.2
91.05486	17.5
92.02647	2.6
92.11995	0.8
93.07048	78.5
94.07387	0.9
95.04968	10.4
95.08611	49.4
96.01551	0.8
97.02898	1.3
97.10159	3.6
98.97568	1.8
99.04437	1.4
100.02491	4.0
103.05443	1.4
105.03406	2.6
105.04494	5.0
105.07019	4.3
107.04951	6.5
107.08599	67.4
108.08913	1.1
109.06510	1.3
109.10158	3.6
110.01276	1.2
116.98607	1.2
117.07024	3.3
118.03519	1.3
119.01797	2.3
119.04951	1.2
119.06090	0.8
119.08584	4.1
120.02094	1.3
121.06479	2.0
121.10147	100.0
122.10490	1.0
123.08096	0.9
129.53400	0.8
130.06522	2.5
131.04942	2.2
131.12001	1.0
132.08113	2.8
133.02864	19.5
135.04419	20.3
135.08069	2.7
135.11693	12.5
145.06499	1.8
145.10089	5.1
163.03915	90.9
163.07576	2.8
163.11179	21.2
163.14828	85.3
164.04189	0.8
164.07072	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03942	5.2
55.01863	4.6
55.05515	8.7
55.83230	1.0
56.96554	4.0
57.03446	6.5
57.07058	3.4
60.04513	3.8
61.02908	2.8
65.03922	1.6
67.05501	9.7
68.05013	3.2
69.03432	8.4
69.07063	18.6
69.41833	3.4
69.42261	4.9
71.04975	1.6
73.02913	2.1
77.03902	1.7
79.05064	2.1
79.05492	30.0
80.05009	4.3
81.03400	3.5
81.07056	47.3
82.01421	1.7
83.00789	1.3
83.04984	1.5
83.07328	1.4
83.08626	6.6
84.08170	1.2
85.02905	5.9
89.03886	2.9
89.06037	1.9
91.03951	1.3
91.05483	19.7
93.03410	2.0
93.07046	63.7
95.04963	10.4
95.08606	15.4
96.08117	3.7
97.02863	1.9
97.08900	5.6
98.97585	4.3
100.02481	5.7
103.05470	35.6
105.03374	1.4
105.04522	2.4
105.07025	18.9
107.04971	7.8
107.08595	100.0
109.06510	12.6
109.10183	1.6
110.01281	3.0
110.09686	6.6
115.05457	1.7
116.98593	1.4
117.03325	2.2
117.05672	1.4
117.07011	11.5
118.03529	1.3
118.11180	1.2
119.01812	1.5
119.04911	1.7
119.06097	1.7
119.07819	1.3
119.08589	19.9
120.08100	1.4
121.06515	6.2
121.10143	62.0
124.11232	3.4
126.10966	1.3
127.07554	6.1
129.07010	1.2
130.06514	1.8
130.07779	5.8
130.11215	4.2
131.04935	40.9
131.11977	9.9
132.08044	2.7
132.12761	2.9
133.02844	5.7
133.06480	1.5
133.10184	1.9
133.11812	1.6
135.04416	12.3
135.08046	8.2
135.11687	22.3
136.11221	4.5
137.11981	5.0
140.00134	1.5
143.08543	1.4
145.02808	2.3
145.04979	2.5
145.06454	4.5
145.10127	48.8
146.12500	2.3
147.08083	1.0
148.08778	1.5
152.14360	2.1
154.12341	1.4
163.03911	47.0
163.07549	19.7
163.11174	73.2
163.14815	45.7
164.07065	2.6
180.17459	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	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19666	1.3
53.03946	10.2
55.01866	4.0
55.05495	3.5
56.96556	4.3
57.03420	3.5
57.07061	2.1
61.02914	1.4
65.03934	2.4
67.05509	30.1
69.03420	2.4
69.07061	5.2
71.57509	1.2
71.57890	1.9
73.02898	1.9
77.03922	1.7
79.05495	63.3
81.03421	14.3
81.07058	28.3
83.04981	4.4
83.08617	2.4
85.06565	1.5
91.05477	31.9
92.02657	1.8
93.07047	52.6
94.51578	3.3
95.04983	19.0
95.08587	7.8
96.01537	1.9
97.06540	6.2
97.51497	1.6
98.97584	4.4
99.04482	1.4
100.02487	5.2
103.05482	3.4
105.03369	4.0
105.04509	5.1
105.07030	9.7
107.04962	13.3
107.07875	2.3
107.08593	36.3
109.06544	3.5
110.01263	2.5
110.97601	1.3
115.05525	1.6
116.98595	1.5
117.07018	16.3
119.01783	4.4
119.08586	23.3
121.06509	6.9
121.10137	19.1
121.52023	1.6
128.02313	2.3
130.06563	2.5
130.07822	4.2
130.52576	2.1
131.04919	2.6
132.08066	2.9
133.02853	20.5
133.10091	2.1
135.04413	21.7
135.08058	5.9
135.11688	35.1
145.06656	1.7
145.10133	39.8
149.50673	1.6
163.03908	97.6
163.07538	3.0
163.11185	100.0
163.14810	9.1
164.04285	1.6
164.07065	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	163.1118
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02358	1.2
53.03946	8.7
55.01876	4.3
55.02087	0.7
55.05518	5.5
56.72802	1.0
56.96571	4.1
57.03444	4.0
57.07058	1.9
61.02919	1.7
65.03935	2.4
67.05506	30.3
69.03420	2.7
69.07069	7.0
69.36726	0.9
71.37257	1.8
73.02903	1.5
74.00259	0.8
77.03924	2.6
79.05495	61.4
80.07613	0.8
81.03420	10.6
81.07058	25.4
82.01441	1.1
83.05015	4.3
83.05409	0.9
83.08613	1.6
85.02892	2.6
85.06527	2.5
87.51856	0.9
88.85722	0.9
89.06001	1.4
89.38306	0.8
91.05486	28.3
92.02615	2.8
92.63459	0.9
93.07043	52.9
94.51563	2.3
95.04980	12.9
95.08044	1.2
95.08606	12.2
97.06527	6.3
98.97569	3.2
100.02468	3.4
103.05457	2.8
105.03380	3.8
105.04524	3.7
105.07030	12.2
107.04963	13.6
107.08601	36.5
108.23731	0.9
109.06515	1.5
110.01290	1.9
110.97548	1.3
115.05451	1.5
116.98618	1.1
117.07022	15.1
118.03522	2.4
119.01826	2.8
119.04937	0.9
119.06104	1.2
119.08582	22.4
121.06520	9.1
121.10149	31.3
128.02296	1.3
128.98575	1.0
130.06584	1.7
130.07794	4.0
130.39900	0.9
130.52637	1.7
131.04909	2.6
131.12004	1.0
132.08080	1.9
133.02858	18.6
133.10165	2.4
135.04419	21.7
135.08067	5.3
135.10789	1.2
135.11696	30.8
143.08507	1.4
145.06500	1.3
145.10123	31.5
158.99667	1.6
163.03912	94.0
163.07561	3.5
163.11185	100.0
163.14825	18.1
164.07079	3.4
164.11627	1.3
168.55554	0.9
177.00729	0.9
177.46989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.54626	1.2
51.02336	1.2
53.03952	10.6
55.01876	16.3
55.05503	6.6
55.68617	1.2
56.96568	6.6
57.03434	8.0
57.07077	2.7
57.67629	1.4
61.02907	2.5
61.12066	1.4
63.79892	1.2
65.03947	1.1
67.05506	18.6
68.04977	1.0
69.03409	5.3
69.07052	6.0
71.04987	1.9
71.42303	2.3
73.02897	2.9
74.00264	1.3
77.03914	3.3
79.05494	46.8
81.03409	5.3
81.07050	17.9
82.01427	2.1
83.04968	3.4
85.02911	1.7
85.51001	1.7
91.05482	28.0
92.01328	1.4
92.02602	1.8
93.07049	55.4
94.51569	2.4
95.04974	15.3
95.08608	17.2
96.01535	2.4
97.06556	1.8
98.97573	6.9
99.44090	1.8
100.02483	9.9
101.00807	1.3
103.05475	5.4
103.52074	1.9
105.03388	4.3
105.04520	4.6
105.07031	25.2
107.04285	1.9
107.04960	20.3
107.08594	38.4
109.06524	2.7
110.01290	3.4
110.97582	1.4
115.05447	3.2
117.07028	30.1
118.03498	3.0
119.01850	6.4
119.08590	18.0
120.02026	1.4
121.06512	17.0
121.10139	9.5
128.06216	1.4
128.98587	1.9
130.06697	1.3
130.07780	8.3
130.52576	2.0
131.04907	3.6
131.11998	1.2
132.08078	1.4
133.02853	17.7
133.10118	4.1
134.07265	2.2
135.04427	21.6
135.08075	6.8
135.11691	25.5
140.00177	1.8
140.98624	1.6
143.08591	1.8
145.06508	1.5
145.10124	43.7
153.05577	1.2
158.99631	2.2
163.03911	100.0
163.11185	66.6
163.14871	1.6
164.04163	1.5
164.07053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02381	0.4
53.03948	1.7
55.01876	0.9
55.05510	1.3
56.96566	3.4
57.03443	3.2
57.07072	1.4
60.04522	0.7
61.02926	1.2
63.02365	0.4
64.03309	0.3
67.05507	1.6
68.05028	1.5
69.03432	2.0
69.07079	0.9
69.45876	1.9
69.46278	0.8
71.04965	0.4
73.02920	0.6
75.99490	0.3
77.03953	0.6
79.05495	4.2
80.05023	1.6
81.03430	1.1
81.07068	2.0
82.01447	0.6
83.00785	1.1
83.04999	0.6
84.08144	0.5
84.96036	0.4
85.02908	1.3
87.04493	0.4
89.03934	2.5
89.06048	0.7
91.05491	3.5
93.07056	3.5
94.51568	0.8
95.04981	2.2
95.08630	1.2
96.01521	0.5
96.08142	1.0
97.08914	0.9
98.97596	3.0
99.04486	0.8
100.02500	2.9
101.00790	0.8
103.05476	69.9
103.52097	0.8
104.05798	0.7
105.02100	0.6
105.03433	0.6
105.04521	0.7
105.07013	2.0
106.06496	0.6
107.04943	4.7
107.08603	4.9
109.10168	0.5
110.01292	1.4
110.09690	1.9
110.97560	1.1
111.10479	1.1
112.11256	1.1
112.51530	0.5
114.05496	0.3
115.05471	0.8
116.52864	0.4
116.98641	1.1
117.03371	2.1
117.05523	0.7
117.07026	3.0
118.03545	1.2
118.11276	0.6
119.01789	2.2
119.04936	0.9
119.08601	1.4
121.06510	1.2
121.10162	2.9
121.52031	0.4
124.11234	0.9
127.11764	0.5
128.02335	0.8
128.98639	0.9
130.06503	0.8
130.07813	0.5
130.11253	1.6
130.52611	1.0
131.04939	100.0
131.12013	3.3
131.61270	0.4
132.05278	1.0
132.08109	1.4
132.12811	0.8
133.02864	2.2
133.11780	0.5
134.99686	0.4
135.04437	5.8
135.05444	0.7
135.08061	2.0
135.11713	1.5
136.11247	1.2
137.11998	1.6
140.00214	0.8
145.02901	2.2
145.03850	0.4
145.06476	1.1
145.10162	2.9
145.11716	0.6
146.12553	0.6
146.99637	0.7
148.05174	0.6
152.14302	0.7
154.12274	1.1
158.99667	0.8
163.03923	23.8
163.07556	51.7
163.11166	7.7
163.12387	1.3
163.14835	1.6
164.08011	0.7
177.00725	0.6
180.17523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02389	0.9
51.04387	0.4
53.03957	2.9
54.10680	0.4
55.01870	2.0
55.05504	1.7
55.35207	0.4
56.96567	2.0
57.03435	3.0
57.07061	0.8
59.04997	0.5
60.04529	0.7
61.02929	0.7
67.05502	1.7
68.05032	1.8
69.03436	3.1
69.07072	1.5
71.04990	0.5
71.56638	0.7
72.08154	0.6
73.02921	0.9
77.03938	1.1
79.05058	0.8
79.05499	11.0
80.05013	1.6
81.03407	1.2
81.07048	1.6
82.06573	0.6
83.07320	0.6
83.84035	0.5
84.08127	0.7
84.96017	0.5
85.02892	2.7
87.04453	0.8
89.03921	1.8
89.06036	1.0
91.05487	11.9
92.01269	0.5
92.06256	1.1
92.21642	0.4
93.05785	0.6
93.07044	4.7
95.04980	3.8
95.08620	0.7
96.01573	0.8
96.08141	1.2
97.02868	0.5
97.08910	1.7
98.97575	2.1
99.04469	1.3
100.02475	1.5
102.04636	0.6
103.05474	49.5
103.52163	0.6
104.05767	0.7
105.04510	1.5
105.07037	13.0
106.06569	0.5
107.04959	100.0
107.08601	7.5
108.05286	0.6
109.02927	0.5
109.06496	0.6
109.59876	0.5
110.09684	1.8
111.10461	0.7
115.05464	8.7
117.03375	1.6
117.05516	0.9
117.07025	5.1
118.03526	0.7
118.11214	0.6
119.01810	1.3
119.04948	1.3
119.08595	1.3
120.05733	7.6
121.06531	2.9
121.10130	4.8
121.96603	0.7
124.11251	0.5
130.04187	0.6
130.06528	0.9
130.07747	1.3
130.11176	0.9
131.04935	38.0
131.12022	2.7
132.12746	1.1
133.02850	2.2
133.06519	2.2
135.04433	5.8
135.08058	19.2
135.11722	1.7
136.11226	1.4
137.12013	2.2
137.99788	0.5
143.08546	0.6
145.02837	2.2
145.06555	1.0
145.07616	4.1
145.10143	4.2
145.11765	0.8
148.05209	2.7
163.03917	18.7
163.07545	26.8
163.11166	6.2
163.12404	1.1
163.14824	3.3
164.06984	0.6
172.71785	0.5
174.07297	0.5
180.17482	1.5
181.02902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
51.04387	0.4
53.03957	2.9
54.10680	0.4
55.01870	2.0
55.05504	1.7
55.35207	0.4
56.96567	2.0
57.03435	3.0
57.07061	0.8
59.04997	0.5
60.04529	0.7
61.02929	0.7
67.05502	1.7
68.05032	1.8
69.03436	3.1
69.07072	1.5
71.04990	0.5
71.56638	0.7
72.08154	0.6
73.02921	0.9
77.03938	1.1
79.05058	0.8
79.05499	11.0
80.05013	1.6
81.03407	1.2
81.07048	1.6
82.06573	0.6
83.07320	0.6
83.84035	0.5
84.08127	0.7
84.96017	0.5
85.02892	2.7
87.04453	0.8
89.03921	1.8
89.06036	1.0
91.05487	11.9
92.01269	0.5
92.06256	1.1
92.21642	0.4
93.05785	0.6
93.07044	4.7
95.04980	3.8
95.08620	0.7
96.01573	0.8
96.08141	1.2
97.02868	0.5
97.08910	1.7
98.97575	2.1
99.04469	1.3
100.02475	1.5
102.04636	0.6
103.05474	49.5
103.52163	0.6
104.05767	0.7
105.04510	1.5
105.07037	13.0
106.06569	0.5
107.04959	100.0
107.08601	7.5
108.05286	0.6
109.02927	0.5
109.06496	0.6
109.59876	0.5
110.09684	1.8
111.10461	0.7
115.05464	8.7
117.03375	1.6
117.05516	0.9
117.07025	5.1
118.03526	0.7
118.11214	0.6
119.01810	1.3
119.04948	1.3
119.08595	1.3
120.05733	7.6
121.06531	2.9
121.10130	4.8
121.96603	0.7
124.11251	0.5
130.04187	0.6
130.06528	0.9
130.07747	1.3
130.11176	0.9
131.04935	38.0
131.12022	2.7
132.12746	1.1
133.02850	2.2
133.06519	2.2
135.04433	5.8
135.08058	19.2
135.11722	1.7
136.11226	1.4
137.12013	2.2
137.99788	0.5
143.08546	0.6
145.02837	2.2
145.06555	1.0
145.07616	4.1
145.10143	4.2
145.11765	0.8
148.05209	2.7
163.03917	18.7
163.07545	26.8
163.11166	6.2
163.12404	1.1
163.14824	3.3
164.06984	0.6
172.71785	0.5
174.07297	0.5
180.17482	1.5
181.02902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.02922	0.8
53.03942	1.2
55.05513	5.2
60.10050	0.8
65.03941	0.8
66.14874	0.7
67.05511	13.5
69.07076	4.8
70.63298	2.2
79.05065	1.1
79.05497	15.6
81.07064	23.6
82.07367	0.8
83.08646	1.2
91.05490	48.5
93.07053	19.6
95.04966	0.8
95.08619	8.9
97.94106	0.8
103.05442	0.9
105.07040	72.1
106.07355	1.1
107.08624	4.6
107.58376	0.7
117.07014	6.4
119.08590	92.0
120.08878	0.8
131.08557	3.0
132.09320	1.3
133.10143	64.2
134.10474	1.0
145.10150	1.0
146.10902	0.9
159.11705	2.5
161.13269	100.0
162.13629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.14380	0.6
53.03934	1.7
55.05516	3.6
56.96546	0.8
65.03934	1.4
67.05507	18.0
69.03421	1.4
69.07072	5.3
71.57072	0.9
73.48506	0.6
77.03944	0.7
79.05497	27.0
81.07062	24.4
83.08614	1.5
91.05486	60.3
93.07052	17.6
95.04974	1.3
95.08615	11.8
103.05491	1.6
104.06309	0.7
105.03416	1.1
105.07036	54.6
107.08591	4.9
115.05450	1.9
117.07018	25.2
117.07853	1.3
119.08585	51.8
121.06465	1.2
128.06195	3.5
131.08585	3.1
132.09322	0.8
133.06523	2.4
133.10138	37.9
143.08577	7.1
146.07253	3.3
159.11726	2.1
161.06018	1.4
161.09631	50.3
161.13261	100.0
162.13588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.19096	0.4
53.03950	0.5
55.01871	0.6
55.05515	5.2
56.96572	0.5
62.79859	0.3
62.88699	0.3
64.66054	0.3
67.05514	0.5
69.07070	1.6
71.56647	0.4
71.57018	0.4
79.05502	1.6
79.80243	0.3
81.07059	0.7
91.05492	7.1
93.07042	1.1
97.02911	0.4
98.97598	0.8
101.00916	0.9
101.95007	0.7
103.05474	1.2
104.06289	0.4
105.03377	0.6
105.07038	13.8
107.05327	0.4
107.08586	0.9
113.02380	0.5
115.05466	1.0
116.05791	0.6
117.07018	3.1
118.04242	0.4
119.01929	1.2
119.08585	100.0
120.08929	1.2
121.10126	2.4
131.08560	1.3
133.01465	0.3
133.06494	2.0
133.10135	13.1
136.11620	0.4
136.62270	0.4
137.02863	0.5
146.03607	1.9
146.07219	0.8
146.10925	0.7
159.11703	0.4
161.05966	2.3
161.07063	0.4
161.09602	3.6
161.10880	0.8
161.13260	16.5
170.84824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.96572	5.7
59.53176	0.4
67.05507	3.3
69.07058	0.5
70.06597	0.7
70.68523	1.3
71.05002	0.9
71.06932	0.6
76.92872	1.9
76.93378	3.8
77.03932	0.4
79.05501	1.9
81.07069	2.7
81.97217	0.4
85.02924	0.4
91.05484	13.8
93.07064	1.0
94.94417	1.0
95.02604	0.8
97.06535	0.6
98.97594	3.0
99.04494	0.4
99.10029	1.0
99.97963	0.5
103.05491	1.1
104.03067	0.5
104.53310	0.8
105.07034	16.4
109.66298	0.4
113.02376	1.5
113.07970	0.6
114.53483	0.5
115.04154	0.5
115.05447	4.4
116.06256	2.0
116.98637	2.6
117.07024	29.9
117.96012	3.6
118.07334	0.6
118.43093	0.4
119.08580	7.6
126.05194	0.7
126.06068	0.5
126.55334	1.8
126.56164	0.6
128.06276	0.6
129.07013	12.4
130.07797	12.3
131.08575	69.5
132.08934	0.9
134.99670	0.9
135.05644	0.8
135.55830	1.8
135.97037	1.8
138.06967	0.5
140.00267	0.4
141.01840	5.8
142.07802	1.3
143.08545	1.3
144.09351	17.6
144.56349	0.5
157.10133	4.7
159.08089	1.9
159.11699	100.0
159.15765	7.2
160.12036	1.5
164.04210	0.4
166.62704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31170	0.2
69.40100	1.5
82.99834	4.6
85.01432	0.3
98.97576	0.5
99.23473	0.2
101.00882	44.2
102.00941	1.9
103.02445	0.2
104.79777	0.2
107.05260	0.7
111.00373	0.2
111.04436	0.4
116.05767	1.3
116.98584	0.3
119.01920	100.0
120.01999	3.4
121.02384	0.4
121.66866	0.2
124.02452	0.6
125.02583	0.4
129.04710	0.5
137.02954	18.0
138.03098	0.4
142.03482	1.9
143.01884	0.5
143.03635	3.4
144.03262	0.3
147.05019	0.2
149.10533	0.2
158.81969	0.2
160.04578	0.3
161.02960	7.6
161.04359	0.4
168.46335	0.2
179.04004	6.9
179.05592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03956	0.7
55.05516	0.5
56.96570	2.5
57.03442	0.6
64.97823	0.4
65.03925	0.5
66.13966	0.4
67.05510	4.5
69.07078	0.4
70.06583	0.5
71.04977	0.7
71.06953	0.5
71.57111	0.4
76.92877	3.6
76.93376	2.7
79.05489	5.8
81.03438	0.5
81.07065	4.9
91.05482	16.4
93.07050	2.5
94.01808	0.7
94.05589	0.4
94.94395	0.5
95.04999	0.5
95.08614	0.5
98.09707	1.0
98.35172	0.4
98.97607	2.4
99.04455	0.6
99.10017	2.3
100.02551	0.5
100.07611	0.4
103.05470	0.9
105.07034	14.1
106.07413	0.5
113.02379	2.3
113.07990	0.6
114.09165	0.6
115.05447	3.4
116.06264	0.9
116.98619	2.2
117.07021	44.2
117.96014	3.4
118.07864	1.0
118.96804	0.5
119.08596	2.7
123.81950	0.4
128.06184	0.6
129.07018	6.8
130.07809	6.4
131.08574	59.3
132.08894	1.2
134.99670	1.0
135.97005	1.5
141.01828	7.8
141.14688	1.3
144.05701	1.4
144.09351	6.3
157.10133	2.8
159.08095	5.1
159.11697	100.0
159.15747	11.7
160.12038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03948	0.6
55.05519	1.0
56.96564	0.9
57.54493	0.4
60.27558	0.5
63.39554	0.4
65.03931	0.5
67.05507	5.8
71.04987	0.5
71.30302	1.1
76.92911	0.5
76.93336	1.0
79.05494	7.4
81.07059	5.8
91.05483	17.7
93.07051	3.4
97.06509	0.4
98.97594	1.3
99.10056	0.6
103.05477	0.9
105.07030	16.3
113.02361	1.0
115.05433	2.9
115.26067	0.5
116.06261	1.2
116.98668	0.5
117.07018	49.3
117.95973	0.8
118.07799	1.5
119.08600	2.4
119.49561	0.4
129.07001	4.5
130.07797	3.4
131.08572	63.5
132.08882	1.0
141.01828	1.5
141.14717	0.5
142.07803	0.6
144.09341	4.5
157.10152	3.6
159.08061	2.0
159.11694	100.0
159.15704	3.3
160.12053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05500	0.7
56.96556	1.0
67.05506	4.9
69.03417	0.7
71.56870	0.8
74.35410	0.6
76.92903	1.3
76.93356	1.2
79.05499	5.9
81.07066	5.2
85.58070	0.5
91.05482	15.9
93.07034	2.3
98.09661	0.8
98.97586	0.6
99.10050	1.4
105.07032	14.8
113.02380	1.2
113.07964	0.4
115.05447	3.2
116.06211	1.7
116.98660	0.6
117.07021	48.8
117.95982	1.5
119.08598	2.5
129.07002	6.7
130.07808	8.4
131.08574	64.8
132.08932	1.3
141.01819	4.3
141.07089	0.5
144.09369	6.5
157.10173	2.5
159.08081	2.2
159.11700	100.0
159.15785	9.4
160.12022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.85979	0.5
55.05512	1.1
62.20216	0.6
67.05514	4.6
71.29963	1.0
76.92862	1.2
76.93322	1.0
78.91991	0.5
79.05497	4.6
81.07062	5.5
91.05486	15.7
93.07036	2.1
98.09650	0.5
99.09351	0.5
99.10004	1.7
100.07601	0.7
105.07037	13.7
113.02354	1.0
114.06635	0.8
115.05473	3.5
116.06214	2.0
117.07021	46.4
117.95976	1.6
118.07829	1.3
119.08553	2.2
129.07011	6.5
130.07806	6.6
131.08577	60.2
132.08949	0.9
135.96976	0.6
141.01836	5.1
141.14734	0.6
144.09352	5.5
146.77332	0.5
157.10127	2.3
159.08176	2.6
159.11700	100.0
159.15746	8.9
160.12030	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42437	0.2
56.96570	7.5
58.13134	0.2
68.03975	0.2
69.03423	0.3
70.06593	0.9
70.87301	0.2
71.49879	0.5
71.95275	2.1
72.08161	0.3
84.08158	0.4
86.06116	0.3
86.72789	0.2
87.04465	0.5
92.91344	0.2
98.06065	0.9
98.09682	0.5
98.97592	100.0
99.97913	0.3
102.53133	0.4
112.07602	1.5
116.98629	39.5
134.99672	9.8
140.00189	1.4
140.14354	0.3
153.00665	0.4
158.01244	1.0
158.08215	0.4
158.09645	0.5
158.11835	0.4
158.15399	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	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
56.05034	3.8
56.96569	6.9
57.03443	6.3
60.04529	24.4
60.44388	0.5
64.65170	0.4
67.05507	1.8
69.07069	5.8
70.06602	2.9
71.22511	0.6
71.22832	0.9
71.95263	2.0
74.06084	5.3
77.74343	0.5
79.05508	3.9
80.34381	0.5
81.07060	33.8
84.08136	0.7
86.06089	0.7
86.09713	8.5
98.06061	1.5
98.09700	31.4
98.97588	100.0
99.08097	21.5
99.10020	0.6
100.74424	0.6
112.07603	1.6
116.07083	2.0
116.10738	6.7
116.97289	1.3
116.98627	46.1
118.56886	0.7
124.02864	0.9
126.00797	0.5
128.10725	10.1
134.99670	13.9
140.00192	2.4
140.07056	0.7
140.10741	2.5
140.14372	1.7
141.01859	0.6
141.34854	0.6
153.00777	0.7
158.01239	1.4
158.06035	0.8
158.08144	1.5
158.09653	3.8
158.11777	28.6
158.15401	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	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
50.56247	0.8
53.16575	0.7
58.51452	0.8
67.43268	0.9
71.20206	1.2
72.71451	0.9
74.09342	1.5
74.09718	13.6
96.96897	3.8
98.09686	1.0
110.07159	2.3
112.05266	9.7
123.75172	1.0
130.06308	16.6
133.03407	0.8
156.04221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
55.05501	2.7
56.96331	0.9
56.96571	11.8
57.03440	7.5
57.49082	0.7
58.99873	1.8
59.52198	1.0
61.02929	9.8
66.40182	0.7
67.01862	2.1
68.05016	0.7
68.98305	1.3
69.03416	2.2
69.04563	1.0
69.52434	1.3
70.06598	1.4
70.95859	1.9
70.98112	2.9
70.99854	4.2
71.01364	1.0
71.02982	1.4
71.04986	1.5
71.95271	0.8
72.53916	0.7
72.93797	1.2
73.01402	0.8
73.02916	5.8
74.00255	1.5
75.01044	1.9
75.04482	0.9
78.52531	1.4
78.52963	16.0
79.03037	1.5
81.03410	1.2
81.04496	0.8
82.01444	21.8
82.99841	8.6
83.00761	2.3
83.01521	1.7
83.04970	0.8
83.06128	1.0
83.52178	0.8
84.01595	4.8
84.99270	2.3
85.01422	3.2
85.02905	2.8
85.07664	0.9
86.02463	0.7
86.06055	4.8
86.52695	3.0
87.53462	1.4
88.03986	0.9
89.00849	2.4
90.01545	1.3
91.00563	1.2
91.02428	1.3
92.52704	8.8
93.02091	1.0
93.02839	1.3
93.07056	1.7
93.50774	0.8
93.53481	0.9
94.51529	0.9
94.52439	1.1
95.00765	1.3
95.01327	7.8
96.01581	1.7
97.00546	1.8
97.01397	1.8
97.02883	1.8
97.96808	1.0
98.01286	3.5
98.09698	9.8
98.51400	0.9
98.52685	1.0
98.97586	6.2
99.04467	1.4
99.53506	0.9
100.01850	1.6
100.02487	27.6
100.52428	1.8
101.00887	68.7
101.02583	2.5
101.53224	3.1
102.00951	1.9
102.02290	1.3
103.00576	1.6
103.01377	1.8
103.02430	4.7
104.01249	1.9
105.02078	3.0
105.51659	0.8
106.01025	2.1
107.53201	1.4
109.52967	1.3
110.01324	1.2
110.02168	2.0
110.07169	19.2
110.09677	2.4
110.97589	0.8
111.02087	1.3
111.98485	1.1
112.99111	0.8
113.00871	3.8
113.01778	2.1
113.03515	1.3
113.53218	2.3
114.00945	1.0
114.04018	6.9
114.09194	0.9
115.00597	1.5
115.01321	1.8
115.02429	11.6
116.98637	1.3
117.01868	7.5
117.04049	0.7
117.35439	0.7
118.02814	1.2
118.03520	6.1
119.01924	100.0
120.01969	2.0
121.01617	1.3
121.03429	0.9
123.04007	0.9
124.02460	12.5
126.98810	2.0
127.03889	1.8
128.02393	1.1
129.04004	1.3
131.00179	2.9
131.01900	7.7
132.02061	1.0
132.05066	5.4
132.95853	2.9
133.01643	3.3
133.03468	29.7
133.05054	1.1
134.03615	1.0
137.02946	12.5
138.04018	1.4
142.03503	71.2
143.01910	1.7
143.03630	2.7
144.99852	2.5
145.03487	1.4
146.99672	1.1
147.01350	0.7
147.05069	1.5
149.01213	2.8
149.02916	1.7
150.00362	1.0
150.96909	2.2
151.02603	1.1
151.04532	4.1
153.53789	0.7
153.65099	0.8
154.03537	1.7
156.03897	1.0
156.05103	5.2
156.07704	2.4
156.10153	5.1
156.13855	2.4
159.01370	1.6
160.04544	12.0
161.02939	1.1
168.01402	5.9
168.99831	3.3
172.04593	1.0
172.99364	2.0
174.06174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	0.7
55.01878	1.7
55.05511	5.1
56.05031	1.8
56.96570	1.6
57.03429	2.5
57.07078	100.0
57.28211	0.8
59.04983	0.9
60.04523	1.9
65.03924	1.2
67.05505	7.9
68.05030	7.0
69.03442	4.4
69.07065	2.2
69.35456	5.8
69.35870	1.7
70.06596	0.8
70.95856	2.1
71.04999	1.4
72.93793	42.4
73.02905	1.3
79.05486	2.8
80.05019	0.9
81.07053	9.2
82.06590	1.8
83.04981	4.7
84.04486	0.8
84.08128	1.6
85.02892	0.9
85.06544	14.7
87.04470	1.4
90.94821	8.2
91.05480	2.2
93.03389	0.7
93.05786	1.6
93.07031	1.5
94.06583	1.2
95.04974	2.7
95.08594	4.6
96.08120	1.7
97.06465	1.2
97.08897	4.3
98.09693	11.4
99.04466	1.9
107.60604	0.8
109.02888	0.9
109.06521	7.7
109.10167	5.0
110.09700	6.1
110.10353	1.0
111.04447	1.9
111.98522	0.9
112.11250	2.8
112.61376	1.0
113.02341	0.9
113.05996	1.6
113.96408	33.5
124.11226	1.9
127.03922	1.7
127.07565	0.9
131.12009	20.3
131.62154	2.4
131.96159	1.1
131.96307	1.2
131.97447	12.2
132.10945	1.2
132.12807	6.4
132.95816	3.0
133.11742	1.1
137.05977	2.2
137.12016	10.4
137.62166	1.4
138.12839	1.5
146.12520	2.7
150.96887	3.2
152.14345	2.3
155.03391	1.3
155.04933	1.1
155.07082	5.2
155.08662	0.8
155.10611	0.9
155.13051	6.4
155.14311	7.7
156.13832	2.6
165.39600	0.8
166.15903	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03951	4.1
55.01876	4.7
55.05516	12.0
55.93516	1.8
56.96567	14.6
57.03433	3.4
57.07059	1.4
59.05009	7.0
65.03934	2.0
67.05509	28.3
68.05015	1.2
69.03433	6.2
69.07072	11.2
69.73682	5.0
70.95872	5.7
70.98118	2.6
71.01366	1.1
71.05004	5.5
72.93793	100.0
73.02916	2.6
77.03944	0.8
79.05497	6.5
81.03422	3.4
81.07059	17.5
82.06585	0.9
83.04987	18.1
83.08616	5.1
85.02916	3.2
85.06547	6.0
87.04469	1.3
90.84420	0.9
90.94831	24.2
91.05482	5.4
91.96503	0.7
93.07059	3.6
95.04972	25.4
95.08606	10.9
96.08110	1.2
97.02911	0.9
97.06535	13.1
97.08947	1.0
97.99197	4.0
98.09699	21.5
98.20814	1.2
98.97563	0.9
98.98419	1.1
99.04461	9.0
99.08122	1.5
105.04510	1.5
105.23233	1.0
107.08573	1.2
108.10807	0.8
108.95873	1.8
109.02884	2.8
109.06527	15.6
109.10159	33.5
110.09706	1.4
110.10443	1.1
111.03790	1.2
111.04498	5.2
111.08080	6.9
111.98474	1.0
112.00880	1.0
112.01628	0.9
112.11273	1.2
113.06006	13.3
113.96408	73.9
114.94823	0.8
116.00181	0.9
119.04932	1.7
119.08543	1.2
119.12036	1.0
119.97318	1.0
120.04388	1.8
122.07328	1.5
123.04437	12.4
124.11210	1.0
125.02358	3.6
127.03909	3.8
127.07529	3.6
128.97812	1.4
129.99577	1.1
131.12012	3.9
131.96399	1.3
131.97443	38.1
132.12761	2.0
132.95840	7.7
137.02361	1.9
137.06003	7.8
137.07964	1.3
137.09628	14.4
137.12003	1.6
140.04697	12.2
146.12576	1.0
149.97212	2.1
150.96898	9.7
154.99028	3.1
155.03395	2.6
155.07045	14.2
155.08241	1.7
155.10677	12.0
155.11868	1.2
155.12979	1.0
155.15456	1.3
156.10225	1.2
156.13860	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03949	0.7
53.13559	0.2
55.01875	1.2
55.05514	16.8
55.77580	0.2
56.96570	1.3
57.03439	2.9
57.07076	1.7
57.98212	0.2
59.05010	4.0
61.91886	0.2
65.03938	2.5
67.05508	100.0
68.05838	1.0
69.03444	0.5
69.07059	1.9
69.83533	1.1
70.98121	1.3
71.05001	3.2
72.93793	10.8
73.02937	0.3
73.07696	0.3
75.16689	0.2
79.05495	2.8
80.06268	0.2
81.03432	0.4
81.07062	16.7
82.07424	0.4
83.04991	0.7
83.08626	5.5
85.02891	0.4
85.06547	2.2
88.99143	0.2
90.94834	2.1
91.05492	5.0
93.07048	2.2
94.07847	0.3
95.04978	0.8
95.08598	2.7
97.06520	0.3
98.09698	4.4
99.04458	0.5
107.08607	2.1
108.95854	0.3
109.06544	1.1
109.10162	24.0
110.06020	0.2
110.09648	0.3
110.10500	0.6
111.04455	0.3
111.08096	2.9
113.06046	0.4
113.96407	8.7
119.08566	1.1
127.03954	0.4
131.12051	0.3
131.97438	4.2
137.06013	0.6
137.07980	0.3
137.09608	1.4
154.99113	0.8
155.03426	0.4
155.07092	1.5
155.08565	0.9
155.10744	0.7
155.15382	0.3
156.10291	0.2
156.13858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
55.01860	3.6
55.05518	14.0
56.96556	7.3
57.03425	3.8
57.07059	3.6
59.04995	5.8
65.03938	1.6
67.05507	69.5
68.05051	1.6
68.05809	1.4
69.03400	2.8
69.06721	2.2
69.07066	23.6
69.67122	7.0
70.95878	1.3
70.98119	3.8
71.01347	4.2
71.05002	12.6
71.95252	2.4
72.93792	100.0
75.01448	1.3
79.05485	7.7
81.07063	17.9
83.04974	5.0
83.08614	3.9
85.06536	3.3
85.10194	4.2
87.04475	2.0
90.94834	25.4
91.05474	4.6
93.07036	4.8
95.04972	7.4
95.08053	2.1
95.08613	21.6
97.06535	22.1
98.09696	42.5
98.20786	2.3
98.98463	2.7
99.04459	2.7
108.95835	2.4
109.06512	8.2
109.10165	34.5
110.10470	3.0
111.04444	4.8
111.08062	2.1
112.01003	2.0
113.06024	2.3
113.09661	5.8
113.36388	1.0
113.96412	75.3
119.08567	2.7
120.02594	1.8
121.01548	2.6
123.04425	1.2
127.03913	1.7
127.07578	2.6
131.12015	2.3
131.97449	37.7
132.95781	1.6
137.06013	2.5
137.07956	2.7
137.09621	31.8
150.96907	2.9
154.99005	8.6
155.07198	7.4
155.08430	7.0
155.10661	16.7
155.13103	1.9
155.14293	6.9
156.13820	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	154.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01851	2.5
55.05521	8.2
56.96568	100.0
57.03426	3.0
57.07057	2.4
59.04987	3.7
65.03948	1.8
67.05508	72.4
68.05029	9.6
68.05848	1.6
69.03452	4.5
69.07050	3.1
70.06615	1.2
70.98126	77.4
71.04974	4.1
71.39169	1.4
71.94122	6.0
71.95266	18.4
71.98403	0.8
72.93408	1.0
72.93792	20.0
74.97588	3.5
75.01033	1.4
79.05482	4.0
80.05005	2.8
81.03427	1.5
81.07061	12.7
82.01814	4.0
82.07377	1.1
83.04962	1.8
83.07362	1.8
83.08637	5.5
84.01563	2.8
84.08142	1.5
85.06531	3.4
87.01019	1.1
87.04465	14.3
88.99163	24.3
90.94851	6.5
91.02357	1.6
91.05479	5.3
93.07033	3.9
93.52614	2.1
95.04955	1.2
95.08613	4.9
96.01530	1.4
96.08139	1.2
97.02891	1.6
97.99195	4.8
101.00735	1.1
101.04405	1.5
102.53113	1.0
104.01297	1.0
106.03600	1.4
106.29646	1.1
107.00188	3.5
107.08602	2.1
107.31542	1.2
108.04463	1.5
108.08121	3.7
108.08804	1.1
109.02883	1.5
109.06509	1.9
109.10163	70.0
110.01265	2.5
110.04916	2.7
110.09729	1.0
110.10472	2.9
111.04466	1.2
111.08086	3.3
112.07602	2.1
112.96727	2.5
112.99133	1.1
113.01756	1.2
113.96405	16.1
115.04134	6.8
115.52087	2.2
116.00208	1.7
116.04890	1.8
118.06532	2.9
119.05468	6.3
119.08575	5.3
119.53348	1.7
121.55627	1.3
122.04878	2.3
124.04664	4.3
125.05439	2.1
126.05524	2.7
126.09132	3.4
127.00689	1.2
127.03889	1.4
128.05960	2.2
128.56175	1.3
130.56189	3.2
130.96266	1.1
131.00107	2.8
131.05420	13.5
131.97458	10.0
136.03943	2.8
136.07585	32.1
137.09610	4.5
140.05984	8.0
140.98535	1.9
142.56206	2.6
148.97354	1.6
149.01195	1.9
154.04994	9.5
154.08609	12.9
154.12239	4.3
155.07098	1.5
155.10670	2.2
158.99628	1.3
162.00320	1.1
170.99696	1.3
173.11765	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	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	3.5
55.05518	14.7
56.96568	6.5
57.03445	6.4
57.07061	2.3
65.03941	7.4
67.05173	1.9
67.05511	28.9
69.03413	4.6
69.07072	48.5
69.79241	4.2
70.94259	6.0
70.95861	2.3
71.04987	3.1
71.95260	6.2
78.77635	1.2
79.05064	1.6
79.05500	30.7
81.03424	1.7
81.07066	31.8
83.04987	16.7
83.08620	5.4
85.06529	3.0
85.08738	0.9
87.04459	2.5
87.68420	1.1
88.95290	1.9
88.96915	1.1
91.05479	7.1
93.03408	3.7
93.07050	49.8
95.04970	3.5
95.08617	20.5
97.02876	1.6
97.06538	23.5
97.48117	1.1
98.01308	1.2
98.21406	1.6
105.07050	2.0
107.04992	5.1
107.08602	47.3
109.06516	4.0
109.10159	31.6
109.10905	1.2
110.01327	2.2
110.03629	1.7
111.04478	12.0
111.08092	10.3
111.96886	5.0
111.98492	1.3
121.60792	1.1
125.06013	7.4
125.09624	4.0
126.06364	1.6
129.53267	1.1
129.97932	3.0
135.04379	2.3
135.08081	5.8
135.11703	100.0
136.03963	2.3
136.07576	6.7
149.28915	1.0
153.05505	8.7
153.07446	4.9
153.09109	4.6
153.12756	99.5
154.04958	1.9
154.08670	2.2
158.99713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00297	1.6
53.03944	3.7
55.01877	2.7
55.05513	16.6
56.96566	8.2
57.03417	2.6
57.07063	3.2
59.04998	7.8
65.03939	13.2
67.01850	5.9
67.05505	7.6
68.05022	2.1
68.99789	6.6
69.03418	5.7
69.07064	12.5
69.49873	9.8
70.94259	10.5
70.95848	3.2
71.04593	2.4
71.04993	37.1
71.95256	3.3
73.06553	20.3
79.05065	2.0
79.05499	30.3
81.03400	4.1
81.07058	100.0
83.04985	11.8
83.08605	2.8
85.06559	1.8
87.04475	1.9
88.95310	2.6
88.96886	1.5
91.05482	10.5
93.03418	7.8
93.07043	47.5
95.04960	4.7
95.08591	11.3
97.02903	1.5
97.06532	12.7
101.62045	1.2
105.07040	2.7
107.04967	5.1
107.08598	47.5
109.06505	5.2
109.10159	11.0
109.52058	2.4
110.03680	2.7
110.97538	1.5
111.04443	16.4
111.08080	10.3
111.96861	10.2
112.58988	1.2
118.00994	1.5
119.08502	2.9
121.02890	1.7
125.05998	9.2
125.09618	3.7
129.97894	3.9
135.04459	3.6
135.08029	3.6
135.11688	34.8
135.12714	2.2
136.07571	6.1
153.01826	15.9
153.05412	7.0
153.09134	8.5
153.12762	23.4
154.05077	1.8
154.08643	2.9
168.26428	1.3
171.02872	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.81437	0.6
53.03939	2.0
55.01870	3.3
55.05513	15.7
56.96563	2.2
57.03432	2.6
57.07083	1.2
57.08202	0.7
59.05006	3.2
59.76188	0.5
65.03941	6.9
67.05506	11.5
68.05009	0.6
68.99807	0.5
69.03429	3.0
69.07071	9.5
70.61509	1.4
70.61843	0.6
70.94265	2.9
70.95869	1.4
71.04987	2.0
73.06554	0.7
74.55087	0.4
79.05494	14.7
81.03422	1.7
81.07060	14.2
83.04984	29.6
83.08620	2.5
87.04473	0.6
91.05484	9.9
93.03408	8.4
93.07045	66.2
94.07368	1.0
95.04973	4.0
95.08608	58.0
97.06530	10.7
98.06052	0.6
105.07053	4.0
107.04961	3.1
107.08595	100.0
108.08933	1.4
109.06525	3.3
109.10152	14.9
111.04444	11.1
111.08088	4.3
111.96879	2.6
118.76988	0.6
119.06071	0.9
123.08050	3.3
125.05984	6.7
125.09635	4.1
129.97914	1.2
135.04436	1.0
135.08078	6.2
135.11693	44.3
136.07587	1.1
136.12047	1.1
137.59021	0.6
153.01964	0.6
153.05493	4.9
153.09131	4.7
153.12747	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	2.1
53.03932	3.6
55.01867	6.7
55.05515	26.2
56.96573	14.7
57.03437	3.8
57.07074	2.6
59.05000	8.6
65.03939	15.2
66.78683	1.4
67.01854	5.5
67.05508	12.6
67.70078	1.4
68.99776	3.9
69.03430	7.5
69.07071	26.4
69.27201	14.4
70.94260	12.9
70.95856	5.8
71.05000	41.6
71.95266	1.8
73.06563	24.9
79.05496	35.6
81.03398	3.1
81.07060	100.0
82.07436	2.0
83.04983	25.2
83.08607	5.4
84.08114	1.5
85.06535	2.5
91.05487	11.8
93.03403	14.2
93.07046	63.0
93.07635	3.4
95.04958	9.2
95.08610	15.2
97.02880	1.8
97.06537	23.6
98.21490	3.1
101.16299	1.9
104.88118	1.4
105.07012	3.4
107.04974	8.1
107.08604	53.3
109.06521	7.0
109.10165	17.5
110.03699	3.6
111.04443	21.4
111.08099	12.5
111.96901	11.3
112.07610	2.6
115.52124	2.3
117.07017	1.6
118.06529	1.5
119.08610	1.8
125.02298	1.9
125.06000	13.6
125.09645	3.1
126.09197	1.7
129.97908	5.8
135.04463	4.0
135.08054	6.4
135.11696	39.0
136.07584	7.4
140.98575	2.4
153.01846	12.7
153.05457	12.4
153.06615	2.9
153.09129	9.8
153.12764	34.6
154.04999	2.0
154.08582	2.1
154.12270	4.1
171.30249	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00299	2.0
53.03931	4.8
55.01867	3.4
55.05513	14.9
56.96561	7.5
57.03421	3.4
59.05005	8.2
59.11921	1.0
61.27116	1.1
65.03941	15.9
67.05499	9.9
67.56727	1.2
69.03412	4.8
69.06719	1.4
69.07067	15.5
70.94260	11.9
70.95853	4.5
71.01350	1.0
71.04994	38.1
71.56504	1.3
71.95278	1.5
73.06554	21.4
77.03900	1.0
77.42416	1.2
79.05495	34.9
81.03409	2.3
81.07056	100.0
83.04978	5.7
83.08611	2.9
85.02881	1.3
87.04468	2.4
88.95295	2.4
88.96902	1.6
91.05475	12.1
93.03401	13.2
93.07042	51.7
94.63612	1.0
95.04964	8.3
95.08592	8.4
97.02902	1.3
97.06522	12.4
98.97535	1.4
105.06997	3.2
107.04974	8.8
107.07864	2.4
107.08593	46.1
108.08106	1.9
109.06520	6.4
109.10164	10.5
110.01208	1.3
110.03632	3.8
110.09689	1.3
111.04448	24.5
111.08080	10.0
111.96862	6.8
111.98505	2.0
118.00981	1.5
118.19687	1.1
119.08556	1.4
125.06008	14.1
125.09625	2.4
129.97902	2.7
130.96283	1.3
134.48965	1.2
135.04413	4.0
135.08023	4.2
135.11693	32.9
136.07562	6.2
153.01753	1.3
153.05447	11.2
153.09132	8.6
153.12733	15.7
153.13910	1.6
154.08597	2.3
161.28687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03938	4.4
53.64617	1.1
55.01863	5.2
55.05514	19.9
56.96550	5.1
57.03424	3.1
57.07074	2.1
59.05014	8.3
65.03941	11.7
67.05510	32.9
68.05015	1.2
68.99776	1.3
69.03425	5.5
69.07066	11.6
69.29853	2.7
69.30256	8.6
70.94263	6.5
70.95860	4.5
71.04994	46.4
73.06560	22.2
77.03909	1.5
78.65650	1.2
79.05496	47.3
81.03399	4.2
81.07059	100.0
83.04978	16.2
83.08634	1.8
87.04455	2.0
87.68997	1.3
88.95289	1.5
91.05490	16.6
91.43066	1.3
93.03410	13.5
93.07046	46.4
95.04969	10.6
95.08611	10.8
97.06120	1.0
97.06544	11.1
105.07056	6.7
107.04965	15.6
107.08595	68.7
109.06524	8.6
109.10165	8.9
110.03660	2.1
111.04442	33.4
111.08088	23.1
111.96872	5.9
115.05452	2.6
117.06995	3.2
125.05997	11.2
125.09640	10.6
129.97917	3.3
135.04411	3.0
135.08078	17.4
135.11697	29.0
136.07567	4.5
153.05482	7.1
153.09105	15.9
153.12738	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62155	0.9
53.03936	4.3
55.01873	14.5
55.05508	19.1
56.96572	9.0
57.03429	2.6
62.24312	0.9
65.03942	58.3
67.05498	10.4
68.99786	2.0
69.03442	6.3
69.07055	3.1
70.94258	9.2
70.95859	5.2
70.98103	1.5
71.04992	38.9
71.21098	1.8
71.95286	1.1
77.03894	1.1
77.80587	1.1
79.05494	56.3
81.03419	14.8
81.07059	10.8
83.04983	46.3
83.08605	1.5
85.02892	1.1
87.04480	5.1
88.95296	3.1
91.05485	18.5
93.03409	63.7
93.07040	12.0
95.04967	6.8
95.08625	5.0
97.02869	1.2
97.06519	7.4
105.07036	9.7
107.01583	1.2
107.04958	66.6
107.08593	27.2
108.05289	1.3
109.04115	1.4
109.06513	12.1
109.10172	5.0
110.01276	1.3
110.03675	8.7
111.04442	100.0
111.08085	5.4
111.96880	7.3
111.98469	1.3
115.05450	5.4
117.07027	7.9
118.04628	3.2
119.01708	1.2
119.06081	2.2
120.05699	1.5
121.04070	3.4
122.26530	1.0
125.05996	54.4
125.09621	3.5
129.97896	4.3
130.04651	4.4
130.11211	1.2
134.06021	2.5
135.04468	2.1
135.08054	41.3
135.11682	2.9
136.07570	3.4
153.01851	1.8
153.05475	23.4
153.09103	19.9
153.10190	0.9
153.12749	9.3
154.08609	1.9
156.79674	1.1
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	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.62155	0.9
53.03936	4.3
55.01873	14.5
55.05508	19.1
56.96572	9.0
57.03429	2.6
62.24312	0.9
65.03942	58.3
67.05498	10.4
68.99786	2.0
69.03442	6.3
69.07055	3.1
70.94258	9.2
70.95859	5.2
70.98103	1.5
71.04992	38.9
71.21098	1.8
71.95286	1.1
77.03894	1.1
77.80587	1.1
79.05494	56.3
81.03419	14.8
81.07059	10.8
83.04983	46.3
83.08605	1.5
85.02892	1.1
87.04480	5.1
88.95296	3.1
91.05485	18.5
93.03409	63.7
93.07040	12.0
95.04967	6.8
95.08625	5.0
97.02869	1.2
97.06519	7.4
105.07036	9.7
107.01583	1.2
107.04958	66.6
107.08593	27.2
108.05289	1.3
109.04115	1.4
109.06513	12.1
109.10172	5.0
110.01276	1.3
110.03675	8.7
111.04442	100.0
111.08085	5.4
111.96880	7.3
111.98469	1.3
115.05450	5.4
117.07027	7.9
118.04628	3.2
119.01708	1.2
119.06081	2.2
120.05699	1.5
121.04070	3.4
122.26530	1.0
125.05996	54.4
125.09621	3.5
129.97896	4.3
130.04651	4.4
130.11211	1.2
134.06021	2.5
135.04468	2.1
135.08054	41.3
135.11682	2.9
136.07570	3.4
153.01851	1.8
153.05475	23.4
153.09103	19.9
153.10190	0.9
153.12749	9.3
154.08609	1.9
156.79674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03950	2.6
55.01862	5.0
55.05294	1.3
55.05513	13.7
56.96558	2.8
57.03444	11.8
57.07068	1.2
58.17672	1.2
65.03941	3.1
67.05508	63.3
69.03439	14.4
69.07057	5.1
70.16364	4.8
71.04980	4.5
79.05498	41.9
81.03407	2.4
81.07062	70.7
83.04989	32.7
85.06536	1.7
91.05486	52.1
93.07052	51.5
95.04979	16.7
95.08617	14.1
97.06525	4.1
98.01295	1.8
98.97586	1.8
101.00747	1.1
105.07037	83.3
107.08601	82.7
109.06531	20.8
109.10162	37.3
109.86665	1.1
119.01812	4.6
121.10178	1.0
123.08080	5.9
123.11722	12.0
128.02316	3.4
131.08568	3.6
133.10136	77.4
134.10466	1.4
151.02817	1.3
151.03957	2.1
151.07535	3.2
151.11188	100.0
152.07062	1.4
152.11520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03941	2.9
55.01879	5.5
55.05518	10.1
56.96571	7.0
57.03437	9.2
59.06354	1.2
61.02919	2.4
65.03940	2.6
67.05505	65.8
68.95288	4.9
69.03443	8.8
69.07068	5.3
70.70987	1.2
71.04984	3.6
71.57061	1.3
73.02918	2.4
79.05495	45.7
81.03405	3.5
81.07061	56.7
83.04984	18.3
85.02903	1.9
85.06541	2.6
89.00776	1.7
91.02308	1.0
91.05481	55.2
93.07049	38.4
95.04967	15.3
95.08607	19.3
97.06496	1.9
98.97582	7.2
98.98137	1.0
101.00764	1.9
105.07034	81.8
106.07362	1.2
107.01817	1.4
107.08597	100.0
107.47636	3.2
108.08869	1.9
109.06525	15.3
109.10161	38.6
109.52097	1.4
110.01301	4.6
111.02937	1.1
116.48171	1.9
116.98628	2.8
119.01801	7.5
119.06084	1.9
121.10224	1.5
121.52072	1.8
123.04462	1.5
123.05559	1.3
123.08080	6.6
123.11729	9.4
128.02332	6.2
129.03067	1.6
130.52574	3.5
131.08563	1.8
133.10133	79.9
139.53175	1.6
146.99640	1.1
147.91321	1.2
151.03893	2.9
151.07578	5.1
151.11189	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01867	1.9
55.05508	2.6
56.96556	2.0
65.03944	27.0
67.05509	13.4
69.07078	6.4
69.74102	4.6
69.74516	2.4
73.81283	1.2
79.05492	17.4
81.07056	28.6
83.08610	1.5
85.79787	1.2
91.05491	7.2
93.03407	5.9
93.07048	30.4
93.07626	1.9
95.04965	1.2
95.08598	5.6
98.03683	1.6
98.20837	2.4
103.05463	1.7
105.04479	1.4
105.07034	3.6
107.04951	2.3
107.08606	23.4
108.04484	2.4
111.04459	5.3
121.01999	1.9
121.02876	36.5
121.03981	9.3
121.06529	1.7
121.10149	7.7
131.04948	2.4
149.02356	100.0
149.06021	4.0
149.09663	6.5
149.13257	23.7
150.09171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03931	3.1
55.05513	4.8
65.03952	26.5
67.05508	22.5
69.07066	14.5
70.45743	2.6
70.46071	4.4
71.05268	1.8
72.24873	1.9
79.05505	33.1
81.07059	52.7
91.05486	15.6
93.03410	5.5
93.07049	52.5
95.04985	2.4
95.08610	7.9
98.18879	2.0
105.03423	2.0
105.07024	4.3
107.04963	8.1
107.08611	40.9
108.04475	2.8
111.04456	3.2
121.02870	38.4
121.03970	11.9
121.06557	3.4
121.10146	13.0
126.82733	2.1
149.02357	100.0
149.06009	3.6
149.09619	10.7
149.13269	45.0
157.65823	2.1
160.10649	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.81741	1.0
53.03939	3.2
55.01868	2.1
55.05512	7.4
55.07243	1.1
56.96566	1.7
63.83552	1.1
65.03607	1.6
65.03942	26.5
67.05507	34.2
69.07069	9.7
69.37348	5.5
69.37774	3.3
79.05499	26.3
81.07060	45.1
83.08616	3.4
91.05482	12.4
93.03407	5.3
93.07046	50.7
95.04974	2.5
95.08629	7.2
100.02576	1.2
103.05495	2.9
103.21540	1.1
105.07068	5.0
105.07625	1.1
107.04955	2.4
107.08602	39.3
108.04571	1.3
109.06520	1.7
111.04481	6.0
119.08543	1.1
121.02871	39.9
121.03976	12.2
121.06509	4.6
121.10148	18.7
131.04919	1.4
149.02353	100.0
149.06018	3.3
149.09641	7.3
149.13271	35.9
150.02696	1.9
150.09143	2.5
158.42746	1.0
167.03436	1.6
168.50230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.81631	1.7
53.03939	6.7
55.01879	2.4
55.05513	11.2
65.03947	15.2
67.05176	2.9
67.05509	40.7
69.07074	21.0
70.45559	3.5
77.03957	2.3
79.05499	65.4
79.05965	3.4
81.03428	4.7
81.07062	99.0
83.08622	6.5
91.05485	24.0
93.03397	3.5
93.07050	100.0
95.04980	4.9
95.08613	18.8
100.20940	1.4
103.05466	1.7
105.04572	1.8
105.07027	8.7
107.04965	41.5
107.08601	89.6
119.06108	2.0
120.05733	6.0
121.02869	20.9
121.03973	4.4
121.06469	3.3
121.10155	30.2
128.61501	1.3
147.11699	2.4
149.02351	52.2
149.03354	1.9
149.05998	2.0
149.09636	27.2
149.13268	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03946	3.9
55.01859	1.3
55.05515	7.3
56.96573	1.6
57.07075	1.7
65.03941	27.3
65.37691	1.1
66.85775	1.0
67.05505	5.3
69.07069	7.8
71.57147	2.5
73.99892	1.1
79.05089	0.9
79.05495	25.5
81.07064	19.1
91.05482	14.6
93.03392	6.2
93.07047	56.0
95.04974	2.8
95.08610	4.5
103.05473	1.8
105.04499	2.8
105.07049	5.7
107.04971	3.9
107.07871	2.5
107.08602	43.4
108.04488	2.3
109.06509	2.1
111.04445	4.1
119.08565	1.4
121.02875	39.3
121.03983	10.2
121.06523	3.2
121.10139	15.2
126.06041	1.6
131.04971	2.3
131.08604	2.3
149.02357	100.0
149.06041	3.5
149.09612	9.0
149.12183	2.2
149.13269	26.7
150.02719	1.7
150.09126	1.2
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	Hormodirene
Peak:m/z	Relative Intensity
53.03943	2.6
55.01857	2.3
55.05503	5.0
65.03940	25.6
67.05506	16.9
68.60465	1.2
69.07059	6.1
70.20651	1.5
71.56866	2.4
75.06715	1.6
76.82606	1.4
79.05060	1.9
79.05495	22.2
81.07063	30.4
83.08616	1.8
91.05508	7.7
93.03400	6.7
93.07042	36.5
95.08617	7.5
98.03656	2.4
105.07034	1.9
107.04961	5.6
107.08594	22.2
108.04483	2.2
111.04431	3.8
112.35092	1.4
117.00917	1.4
121.02869	34.7
121.03971	12.7
121.10126	10.2
122.03195	1.6
149.02344	100.0
149.05959	2.7
149.09608	11.1
149.13275	27.8
167.03490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05512	9.8
65.03949	26.1
67.05505	30.0
69.07059	14.4
70.29105	7.8
74.76782	3.9
79.05503	52.3
81.07059	91.5
83.08608	6.5
83.19154	3.2
91.05485	21.7
93.03407	8.4
93.07046	98.4
95.04961	5.9
95.08593	10.0
105.07030	11.0
107.04942	17.0
107.08604	79.5
121.02867	29.8
121.03981	9.3
121.06531	4.8
121.10142	24.3
149.01154	5.9
149.02345	100.0
149.03503	6.9
149.09633	20.1
149.13263	74.8
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	Hormodirene
Peak:m/z	Relative Intensity
53.03945	4.3
55.01863	2.7
55.05506	5.8
59.30546	2.0
65.03942	24.6
67.05213	2.1
67.05515	21.5
68.00340	1.9
69.07075	12.4
69.97974	10.2
70.34509	1.9
79.05500	30.9
81.07059	56.7
83.08588	3.3
84.48852	2.1
85.03292	1.9
91.05484	13.3
93.03385	5.6
93.07053	56.3
94.07397	1.9
95.04972	4.2
95.08591	8.8
105.07029	5.3
107.04973	12.5
107.08599	52.0
111.04455	5.0
121.02872	37.8
121.03976	12.4
121.10177	17.5
131.08606	3.0
133.40965	2.4
144.13075	2.0
149.02348	100.0
149.06026	3.6
149.09608	13.1
149.13260	53.3
149.14380	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03951	2.1
55.01860	2.4
55.05500	3.4
56.96548	1.3
65.03608	1.9
65.03943	26.1
67.05507	10.1
69.03494	0.9
69.07076	4.2
71.57155	1.4
79.05502	15.3
81.06580	1.5
81.07059	26.9
83.08607	2.0
91.05477	8.1
93.03393	7.3
93.07046	26.7
95.04984	2.4
95.08614	5.1
98.03659	1.5
102.37269	1.0
105.03371	1.0
105.07053	2.8
107.04958	4.1
107.08598	20.3
108.04453	1.1
111.04449	5.4
121.02868	41.3
121.03978	13.5
121.06500	2.9
121.10169	6.5
126.05516	1.7
131.04984	2.2
131.08556	1.7
149.02351	100.0
149.06001	2.8
149.09607	6.9
149.13269	21.3
150.02707	1.1
150.09091	1.8
163.57523	0.8
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	Hormodirene
Peak:m/z	Relative Intensity
53.03940	2.6
55.01864	1.9
55.05518	7.3
59.31595	1.1
60.35474	1.3
65.03944	27.5
67.05509	16.5
69.07074	10.1
69.77165	8.1
71.60353	1.3
73.37716	1.1
75.32773	1.1
79.05494	27.3
81.03403	1.4
81.07064	41.5
81.50972	1.3
83.08641	2.5
83.63422	1.1
91.05491	13.0
93.03412	6.5
93.07051	47.4
93.63416	1.2
95.04974	2.8
95.08614	8.2
103.05464	3.6
105.07048	4.2
107.04960	12.6
107.08607	36.8
108.04485	2.8
109.42568	1.4
111.04430	2.3
120.05739	3.3
121.02007	2.1
121.02874	39.5
121.03979	12.8
121.06516	3.7
121.10152	12.9
121.10965	2.1
126.07745	1.2
131.04948	1.5
131.08606	2.0
149.02356	100.0
149.06049	2.9
149.09619	19.3
149.13268	43.0
150.02686	3.2
150.44943	1.3
167.03394	1.6
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	Hormodirene
Peak:m/z	Relative Intensity
53.03941	4.5
55.01873	1.7
55.05511	2.9
62.79913	1.0
65.03944	27.8
67.05511	13.6
69.07076	6.1
71.57213	1.2
79.05495	17.9
79.82946	1.0
81.03402	1.1
81.07057	30.9
91.05480	8.0
93.03409	6.0
93.07047	31.1
95.04951	3.6
95.08642	5.0
98.03643	1.1
105.03394	52.8
105.04474	2.0
105.07030	4.3
106.03719	1.6
107.04933	1.7
107.08601	26.4
108.04485	1.8
111.04435	4.1
120.67439	1.0
121.01993	2.1
121.02870	38.6
121.03974	10.4
121.06506	2.7
121.10144	6.7
129.14594	1.1
131.04933	1.5
149.02353	100.0
149.05994	25.9
149.07083	1.0
149.09644	5.1
149.13271	23.2
150.02652	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	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03949	2.2
55.01871	2.2
55.05495	1.1
56.22116	0.9
56.50938	0.8
56.96574	5.7
59.11454	0.8
63.50244	0.8
65.03945	23.4
67.05508	1.7
69.07055	1.1
69.32475	5.4
69.32898	2.9
78.51200	0.9
79.05505	8.6
81.07037	0.9
82.51829	0.8
83.04974	0.9
91.05482	17.6
93.03415	6.3
93.07047	16.1
94.07360	0.9
95.04978	1.9
95.11538	1.0
103.05455	3.4
105.07028	8.5
106.04189	1.6
107.04954	7.0
107.08584	7.4
109.03532	1.0
109.06535	2.6
111.04454	4.5
115.05422	1.7
117.07026	1.1
119.06091	1.0
119.08578	1.3
119.12942	0.9
121.02871	39.4
121.03979	10.4
121.06504	63.5
121.10143	9.6
122.06835	1.0
123.07979	1.1
131.04929	1.7
131.08568	3.0
133.07515	1.0
149.02350	100.0
149.06020	3.9
149.09625	47.1
149.13254	2.8
150.02652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03949	1.8
53.25940	0.8
55.01855	2.2
55.05513	0.9
56.96555	3.1
63.57290	0.8
65.03606	1.4
65.03941	22.1
69.03422	0.9
69.49536	5.4
79.05501	2.8
81.07068	1.0
91.05485	21.5
92.68114	0.7
93.03392	6.7
93.07046	9.8
95.04968	3.0
98.03660	1.3
102.03366	1.2
103.05482	3.0
105.07023	3.3
106.04133	1.1
107.04930	2.2
107.08589	2.4
109.06519	3.2
111.04472	3.6
115.05444	1.8
117.06938	1.7
119.00167	0.8
119.06045	0.7
121.01992	1.6
121.02864	29.6
121.03975	8.3
121.06505	100.0
121.10132	3.2
122.06853	1.7
124.04646	1.1
131.04944	3.5
131.08546	2.3
134.07301	1.9
147.08075	1.1
149.02351	77.0
149.05980	5.0
149.09621	40.4
149.10558	1.0
149.13231	0.9
150.02737	1.5
157.96123	1.0
169.03563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	6.4
55.05502	2.8
56.96561	1.8
60.98969	0.7
65.03943	27.6
67.05496	4.2
69.07059	2.2
71.56870	0.8
73.31988	0.6
79.05496	15.7
81.03410	4.2
81.07064	6.6
83.04964	0.8
83.10035	0.8
85.48995	0.7
91.05480	10.6
93.03396	4.9
93.06470	1.3
93.07048	20.4
93.73421	0.7
94.12161	0.6
95.04972	2.3
95.11398	0.8
98.03683	1.8
103.05446	2.0
105.03432	0.8
105.07040	7.7
107.04967	3.1
107.07354	1.3
107.08602	12.0
108.04477	2.2
111.04460	5.4
119.08565	1.1
121.02872	37.2
121.03980	12.3
121.06531	4.6
121.10160	7.1
123.08084	1.0
128.64117	0.6
129.07018	1.0
131.04941	2.1
131.08568	5.2
132.08125	1.1
137.32237	0.6
149.02353	100.0
149.05963	5.2
149.09628	54.2
149.13240	5.8
150.02631	1.2
150.05528	0.8
150.09108	2.6
169.03456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03950	6.3
55.01860	2.8
55.05513	2.9
56.96563	10.4
58.06602	1.4
65.03942	25.3
67.05494	2.3
69.03418	2.0
70.97366	3.0
71.42163	1.1
77.03887	1.5
79.05492	41.5
81.07059	2.0
83.04958	1.7
83.08620	2.1
85.02911	1.6
85.04818	2.4
91.05479	17.6
93.03393	4.9
93.07043	41.4
94.06573	1.7
95.04965	4.9
100.99167	2.4
102.03364	4.5
102.18040	1.3
103.05466	100.0
104.05795	1.3
105.04501	2.2
105.07018	4.1
105.22547	1.3
107.04959	25.2
111.03786	2.3
111.04446	6.9
119.01896	1.7
121.02863	35.4
121.03967	10.6
121.05620	1.5
121.06493	25.5
122.06049	2.0
123.07934	3.2
124.04649	2.7
126.59436	2.1
131.04932	13.7
131.08472	1.3
133.05199	1.4
134.09200	1.7
139.22694	1.2
142.03468	2.1
143.49391	1.4
145.16269	1.3
149.02341	83.6
149.06000	16.5
149.07109	2.4
149.09633	2.6
149.11578	5.8
150.05487	3.8
150.09044	1.4
163.02798	2.4
169.03532	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03943	6.9
71.14768	1.4
91.05486	79.4
97.92094	0.7
106.65720	0.7
117.41947	0.6
119.04948	100.0
120.05288	1.3
120.58754	0.8
132.40041	0.7
147.04416	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81064	0.6
63.11547	0.7
65.03943	5.7
69.69946	1.2
69.70359	2.8
75.22320	0.7
91.05488	75.6
95.04878	0.7
104.82924	0.7
119.04951	100.0
120.05298	1.5
144.14700	0.7
147.04424	55.9
158.30168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03942	7.9
69.33916	7.5
91.05487	77.2
98.20713	1.3
100.75262	0.8
116.73756	0.8
119.04950	100.0
120.05290	1.5
130.54680	0.8
147.04417	57.3
160.31224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25608	0.7
53.89291	0.6
65.03940	6.1
69.03429	1.1
69.52749	1.4
69.53160	2.8
91.05486	73.8
92.05827	1.2
105.07043	2.2
119.04951	100.0
119.08581	2.9
120.05309	1.1
123.96513	0.8
127.68997	0.7
138.41318	0.8
147.04414	55.2
147.11726	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	148.1119
Annotation	Actinidine
Peak:m/z	Relative Intensity
54.91719	0.9
55.05508	1.7
56.05012	1.4
56.96566	10.5
57.03420	1.4
58.85603	0.9
60.04541	1.1
65.03947	8.9
66.04259	1.0
67.05508	1.2
69.03419	1.3
69.07088	1.0
69.48615	1.0
70.02937	1.5
70.40079	2.6
70.40440	1.1
71.04980	1.0
79.05482	3.5
80.05010	1.3
83.08627	1.4
84.04514	18.7
84.08144	4.3
85.08511	0.9
88.03975	1.2
91.05487	15.5
92.05821	33.0
93.02837	1.3
93.03412	1.1
93.07033	4.0
95.02595	0.9
95.04965	1.4
102.03346	2.6
102.05531	3.0
103.05470	10.0
105.07043	7.9
106.96587	1.8
107.04952	3.0
110.09711	1.4
111.03804	1.4
111.04476	2.5
118.06545	1.1
119.04948	6.9
120.04527	1.9
120.05279	45.4
120.08114	5.0
121.02868	8.0
121.03949	2.6
121.06523	2.1
124.04639	2.8
125.01860	1.0
130.05013	2.4
130.11205	2.9
131.04941	2.7
132.08127	4.4
133.08882	31.5
133.09915	1.5
148.04832	26.1
148.07526	1.9
148.11212	100.0
149.02342	23.5
149.03487	1.6
149.05991	1.5
149.11549	1.5
154.14711	1.0
163.02751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.39671	0.5
65.03939	6.5
68.87285	0.5
69.27401	1.3
69.27819	3.6
85.27364	0.6
89.93005	0.7
91.05483	79.4
92.05813	0.9
105.07030	0.7
119.04945	100.0
119.08555	1.5
120.05287	1.7
147.04414	56.0
147.11700	0.8
148.04800	1.0
151.62213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.9
55.01862	6.6
56.96576	3.3
57.03441	32.7
57.54586	2.2
58.06598	4.4
58.99862	3.5
61.02926	8.9
65.52180	4.1
66.07717	2.4
68.02640	6.7
69.03419	10.2
69.56321	3.7
69.56728	9.1
70.06583	3.7
70.99858	5.0
71.01359	3.4
73.02921	21.4
78.52965	10.6
79.02159	5.7
79.51917	8.9
80.52767	2.2
81.01899	4.1
81.03429	21.5
81.04546	47.2
82.01442	18.4
82.99854	4.4
84.08136	6.0
84.52971	10.1
85.02923	16.1
85.51922	3.2
85.53726	6.4
86.03675	14.7
86.52704	6.2
87.53490	4.1
88.02695	20.0
89.00864	2.8
89.58955	2.3
90.52945	10.9
92.52692	7.9
93.01887	7.3
93.53481	8.8
94.52413	2.6
95.06094	29.8
97.02898	7.3
97.07647	8.6
98.09709	3.8
98.52692	6.0
98.97546	2.3
99.04475	2.8
99.53472	17.0
100.00101	7.1
100.02492	42.8
100.52441	3.0
101.00884	65.9
101.02563	4.2
101.53188	3.9
102.00942	3.5
102.02419	20.4
104.52691	16.4
107.53187	2.4
109.02899	10.5
111.02917	12.6
113.00873	7.6
113.53195	23.2
114.03294	4.6
115.02419	4.8
118.01119	6.3
118.03532	17.1
119.01924	100.0
120.02008	6.6
120.03402	3.8
122.53726	20.6
123.01648	5.2
123.03810	3.6
124.02487	14.6
125.07124	26.2
127.03944	3.7
128.01933	2.5
131.01913	21.4
131.54250	23.6
132.04311	4.1
133.03500	4.1
134.06874	2.0
136.02475	2.1
137.02982	12.8
140.54770	11.1
141.02728	17.3
142.02611	3.0
142.03535	36.4
143.01941	14.9
143.03561	9.0
143.08168	28.4
144.05099	3.4
144.10194	40.0
145.03453	4.3
149.02968	2.5
154.03529	13.2
156.05013	2.9
157.03537	5.1
161.02940	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89894	5.8
69.25139	45.5
82.99859	7.5
99.00450	5.4
101.00883	50.8
119.01932	100.0
124.02444	9.8
137.02957	18.0
142.03493	37.2
144.44768	4.9
152.02107	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.1
57.03427	3.7
62.49518	3.5
63.76388	3.6
70.06597	3.5
70.97723	7.6
80.96349	3.5
82.01443	5.0
82.99837	6.0
98.97594	7.8
99.79931	3.6
100.02456	4.7
101.00887	54.8
101.52327	3.2
112.44337	3.2
117.01834	4.9
119.01924	100.0
124.02479	10.8
137.02954	16.7
142.03519	51.0
142.08484	3.7
143.03529	5.0
150.55814	3.2
160.04608	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	6.5
56.97205	5.7
57.03428	6.9
58.39015	5.0
69.46562	4.3
70.35133	9.9
70.35509	10.4
76.10422	4.6
81.03405	5.7
82.01440	6.1
82.99820	5.4
85.02881	4.5
88.02682	6.1
93.49333	4.0
93.53481	4.1
96.08150	5.2
97.02887	5.3
98.92407	5.0
98.97585	6.7
100.02463	10.3
101.00877	41.2
101.02593	4.8
109.02859	5.0
113.53214	4.8
119.01923	100.0
122.53653	4.7
124.02462	9.5
125.02350	9.8
137.02939	22.2
142.03494	42.1
142.08624	18.6
143.03394	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.01851	2.1
55.05507	4.6
57.03431	1.5
58.09316	1.5
64.45104	1.6
65.03918	3.3
67.05507	44.5
69.03414	5.7
69.07069	2.1
69.52934	2.6
69.53343	7.7
79.05495	9.5
81.03397	4.3
81.07063	26.6
83.60600	1.7
91.04966	2.5
91.05484	24.5
93.07041	5.5
94.04185	5.4
95.04961	12.0
95.08621	9.0
107.04934	13.2
107.08601	3.1
108.05734	1.9
109.05796	2.5
109.06527	45.3
109.10163	44.7
117.07059	2.2
119.04987	1.8
119.06083	2.1
119.08577	13.4
121.06503	4.3
122.03634	2.5
122.07291	50.6
126.80591	1.5
135.08023	1.8
137.05974	12.8
137.09621	100.0
138.05489	1.9
148.01535	1.4
152.06044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.77272	0.2
51.56520	0.2
53.03937	0.3
58.15196	0.2
58.39766	0.3
65.03920	0.6
67.05492	0.6
69.34184	1.5
78.03448	0.6
92.05012	5.6
93.05805	0.7
94.06573	12.6
96.04489	1.6
110.06053	6.9
121.06494	0.5
138.05507	100.0
139.05844	1.0
154.04961	0.2
156.35089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03945	0.7
65.03931	1.0
66.04722	3.1
69.20787	4.6
69.21086	0.4
70.06389	0.4
72.35261	0.4
77.03912	0.6
79.05502	2.8
81.07056	2.3
91.05488	2.8
94.04188	24.2
103.96630	0.4
105.03354	0.5
105.04473	0.6
107.04933	1.6
109.06520	1.4
122.03654	44.2
125.11763	0.4
135.04485	0.6
137.05981	100.0
138.06287	1.3
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	4-Propylphenol
Peak:m/z	Relative Intensity
53.03933	2.2
54.48588	0.8
55.01864	2.5
55.05516	5.7
57.03429	0.8
59.57813	1.0
63.17505	0.7
65.03932	3.4
67.05511	46.9
67.25156	0.7
69.03419	4.4
69.07044	2.0
70.91857	1.6
79.05497	9.6
81.03407	3.2
81.07066	27.5
81.46317	0.7
83.04968	2.3
91.05491	23.4
92.05826	0.9
93.07063	5.7
94.04195	3.0
94.07853	1.3
95.04980	10.1
95.08606	10.6
97.06510	1.0
98.21582	0.9
103.05441	1.1
104.06256	1.0
107.04967	12.6
107.08605	4.3
108.05755	2.4
109.06529	49.9
109.10167	47.5
109.10941	1.8
117.07018	2.3
119.04971	1.4
119.06084	3.7
119.08594	13.8
121.06505	4.9
122.03641	1.9
122.07295	50.6
135.08083	2.3
137.02487	0.9
137.05981	11.2
137.09628	100.0
138.05544	4.2
138.09995	1.9
139.61208	0.8
146.20343	0.8
150.29163	1.0
155.75024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
53.97590	0.2
61.97492	0.2
70.03227	0.4
70.03620	0.5
74.63207	0.2
91.05477	0.2
94.04058	2.4
98.21401	0.3
109.05111	0.4
119.03552	7.0
131.01952	0.4
131.58539	0.2
136.06187	100.0
137.03638	0.3
137.04597	3.2
137.06516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03000	0.3
70.16531	0.6
86.43404	0.3
92.02479	0.4
94.04047	2.9
101.69620	0.2
112.05096	0.2
119.02742	0.5
119.03562	8.0
136.06195	100.0
137.04620	3.0
137.06615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	5.0
55.01871	1.4
55.05517	6.5
56.96550	2.1
63.85376	0.9
65.03928	2.0
67.05495	3.3
69.03435	1.2
69.07063	3.6
69.38525	4.3
69.38932	3.3
72.55270	1.0
77.03887	1.7
79.05067	2.0
79.05499	24.9
81.03409	1.4
81.07059	1.8
91.05487	45.5
93.07048	45.1
95.04966	6.9
98.74948	1.1
105.04504	3.3
105.07038	19.8
106.07775	1.3
107.04958	24.1
107.08598	100.0
108.08916	1.2
109.06536	5.8
112.01028	1.6
112.89761	1.1
117.06977	5.2
118.93851	1.0
119.06046	4.6
119.08591	18.0
120.09406	6.2
120.10160	1.1
120.51334	1.4
121.01554	1.5
126.02634	1.1
135.04453	10.7
135.08057	18.2
135.11697	39.9
136.02176	9.9
136.06190	15.7
136.07536	2.8
147.09270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	3.8
54.24426	0.7
55.01859	1.4
55.05515	6.8
56.96564	1.9
65.03934	2.6
67.05508	4.2
69.07067	2.6
69.60447	2.5
69.60856	1.7
71.58260	0.7
77.03911	1.4
79.05495	25.0
80.25088	0.6
81.07053	3.0
89.56554	0.7
91.05483	56.0
93.07044	45.5
94.07308	0.9
94.07874	0.8
95.04973	5.0
105.04527	1.7
105.07037	20.2
107.04966	6.2
107.08595	100.0
108.08928	0.9
109.06522	6.2
115.05453	29.0
116.06251	1.1
117.07016	19.2
119.06079	5.8
119.08589	5.5
120.05707	0.8
120.09370	1.7
133.06485	0.8
133.10135	0.8
135.04500	4.2
135.08058	50.6
135.11685	25.3
136.02148	3.1
136.06195	5.9
136.07561	1.3
136.15456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	6.3
55.01874	10.1
55.05512	9.5
58.86152	1.3
62.38384	1.6
65.03937	2.6
67.05508	37.7
69.07064	6.1
71.56573	1.6
76.26835	1.4
79.05498	63.8
81.07058	26.2
86.03907	1.3
91.05484	34.9
93.07049	100.0
94.07887	1.5
95.04973	6.9
105.04546	2.4
105.07047	11.1
107.04982	7.5
107.08600	71.6
109.06550	3.7
117.07024	3.8
119.03516	1.8
119.06035	2.4
119.08604	2.6
130.97783	1.4
135.04440	6.6
135.05443	1.7
135.08064	32.7
135.11700	69.2
136.02174	10.6
136.06200	21.1
136.07295	1.9
136.07639	2.1
137.04448	1.6
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
51.03257	1.6
53.03949	8.2
55.01867	2.0
55.05510	9.8
56.96547	1.5
58.16310	1.6
61.02990	1.6
67.05509	20.2
69.07063	6.2
79.05496	55.1
81.07061	10.9
91.05491	47.2
92.01331	1.8
93.07051	100.0
95.04974	7.2
95.16291	1.6
98.20805	4.7
105.04525	3.6
105.07057	11.3
106.07826	1.8
107.03666	1.7
107.04976	10.1
107.08600	73.0
108.08858	2.2
109.06517	2.6
110.68459	1.6
112.01028	3.4
117.07011	4.2
119.03631	1.9
119.06085	2.0
119.08582	7.3
135.04434	12.2
135.05499	3.5
135.08063	15.1
135.09023	2.2
135.11702	51.9
136.02176	19.9
136.06189	37.8
136.07574	4.8
140.47723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.58211	1.4
53.03930	5.3
55.05513	8.6
62.04235	1.6
65.03944	3.5
66.65146	1.7
67.05505	53.2
69.07076	8.6
70.85027	3.7
76.47145	1.6
77.26176	2.1
79.05495	66.2
81.07066	31.2
91.05483	21.9
93.07046	100.0
95.04980	6.1
105.04549	2.2
105.07049	8.0
107.04939	3.6
107.08595	58.9
133.10114	1.7
135.04440	1.9
135.08096	9.4
135.11694	86.2
136.02168	7.6
136.06200	25.0
136.07271	2.8
154.35883	1.6
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
53.03946	10.7
55.05520	12.0
65.43770	1.6
67.05512	19.8
69.07063	9.1
71.57346	2.9
79.05499	64.8
81.07067	23.8
91.05494	26.2
93.07053	100.0
95.04968	7.3
105.04500	2.6
105.07031	6.2
106.86030	1.8
107.04927	5.6
107.08603	58.8
107.49126	1.8
109.06508	1.9
117.08970	1.7
119.03568	3.2
135.04427	8.0
135.05400	2.6
135.08136	10.0
135.09042	2.5
135.11705	64.7
136.02176	17.0
136.06198	46.5
136.07526	3.5
137.04720	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.8
53.04155	1.0
53.27957	0.7
55.01867	1.2
55.05516	6.8
56.96574	5.4
57.07058	1.0
59.56284	0.8
65.03938	1.3
66.49329	0.9
67.05502	2.7
69.07052	3.3
70.02537	3.9
71.04976	0.7
77.03922	0.8
79.05501	20.2
81.07066	3.7
83.90306	0.7
87.08109	1.1
90.10046	0.8
91.05488	29.7
92.06290	1.1
93.07052	46.7
94.07826	1.4
95.04970	2.9
105.04537	1.7
105.07036	13.3
107.04972	6.9
107.08601	100.0
108.08944	1.5
109.01127	0.8
109.06528	3.5
112.01028	1.5
115.05458	2.5
117.07018	2.9
119.03592	0.9
119.06055	3.6
119.08592	8.6
120.09370	3.4
121.01565	1.4
125.43137	0.7
135.04448	6.1
135.05365	1.3
135.06509	0.9
135.08072	11.1
135.11700	28.9
136.02193	5.3
136.03960	0.9
136.06195	11.0
136.07281	1.1
136.07616	1.1
136.12053	0.8
145.52856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03953	10.2
54.58560	1.9
55.01878	1.9
55.05516	13.5
56.96566	2.9
57.00407	1.7
65.03935	2.2
67.05511	23.4
67.38319	2.0
69.07062	7.0
69.96028	4.3
69.96443	6.1
78.38439	1.8
79.05496	78.3
81.07066	25.9
84.00307	2.1
89.03920	3.4
91.05487	34.5
93.07050	100.0
95.04961	8.3
105.04541	4.3
105.07066	11.4
107.04961	13.5
107.08600	92.0
108.51331	2.4
109.01134	2.0
112.01022	3.7
115.05441	4.4
117.07018	5.6
119.03527	2.9
119.08556	2.6
121.01539	3.1
125.86053	1.8
133.10155	2.9
135.04428	13.2
135.05490	3.8
135.08063	25.6
135.11705	90.3
136.02167	18.9
136.06198	26.5
136.07579	4.7
142.01260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	8.0
55.01863	4.9
55.05513	11.2
56.96539	2.1
61.34452	1.8
65.03932	3.8
65.50259	1.9
67.05504	50.8
69.07082	9.3
70.23970	7.1
79.05495	84.4
81.07059	27.5
90.34592	1.9
91.04964	3.1
91.05484	35.1
93.07043	100.0
93.07635	4.8
95.04980	5.2
105.07049	11.8
107.04978	10.5
107.07864	4.0
107.08593	73.4
109.06488	2.4
115.05429	3.6
117.06995	3.7
119.06038	2.5
119.08611	5.4
120.09332	2.4
121.01551	3.6
133.10098	2.4
135.04398	9.0
135.05382	2.3
135.06616	2.0
135.08055	28.0
135.11693	86.0
136.02171	23.8
136.06190	50.6
136.07562	6.2
137.04651	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.80165	1.4
53.03938	4.8
55.01861	4.0
55.05518	10.6
62.86106	1.4
62.98207	1.3
65.03934	3.4
67.05508	48.1
68.86228	1.5
69.07069	12.0
69.20937	1.2
70.05202	7.0
76.60170	1.4
79.05499	68.7
81.07057	26.0
91.05488	28.4
93.07050	100.0
95.04980	4.9
100.47218	1.3
105.07050	7.2
107.04945	4.5
107.07867	3.4
107.08600	65.2
109.06498	1.7
115.05466	2.5
115.46404	1.6
117.07056	4.0
118.96048	1.5
119.03578	2.6
119.08588	4.2
121.01613	1.5
133.10097	2.0
135.04453	8.5
135.05389	1.9
135.06473	1.5
135.08073	20.1
135.11699	88.5
136.02173	16.6
136.06200	31.8
136.07542	3.8
137.04637	1.7
152.99094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01879	1.7
55.05517	10.0
65.03936	2.0
67.05507	41.4
69.07054	8.5
75.39707	1.7
79.05495	67.4
81.06591	2.4
81.07053	26.6
91.05482	15.0
93.07047	100.0
95.04978	4.2
105.04530	2.6
105.07016	5.6
107.04893	2.1
107.08598	59.6
108.67274	1.6
118.26910	1.6
135.04399	2.5
135.08075	11.1
135.11694	87.5
136.02155	8.5
136.06192	14.7
139.16469	1.5
149.03015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	5.4
55.01866	2.0
55.05521	7.7
56.96564	2.4
62.85655	1.1
65.03942	2.7
67.05510	5.4
69.03416	2.0
69.07051	3.5
70.82162	1.2
70.82486	1.7
79.05502	26.1
79.09470	1.0
81.07058	6.3
91.05489	44.0
93.07050	61.6
94.07310	1.2
95.04950	4.8
98.31416	1.0
105.04514	2.0
105.07034	16.9
107.04982	6.1
107.08602	100.0
109.06524	5.9
112.01007	1.8
115.05463	3.3
117.07045	6.3
119.03583	1.2
119.06062	3.8
119.08595	12.1
120.09386	3.9
121.01581	1.1
135.04428	6.4
135.05377	1.1
135.06505	1.5
135.08078	11.2
135.11694	43.2
136.02174	13.5
136.03931	1.2
136.06194	21.9
136.07547	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	7.9
55.01870	3.1
55.05514	13.4
55.73404	1.7
56.96559	2.6
65.03928	2.5
67.05509	26.4
69.07059	5.9
69.29671	16.8
71.36682	1.9
73.02484	1.6
78.50407	1.8
79.05500	73.6
81.07068	27.7
91.05482	32.9
91.65496	1.6
93.07052	100.0
94.07846	2.0
95.04977	4.3
105.04514	3.2
105.07025	6.7
107.04963	6.9
107.08601	80.6
114.60098	1.6
115.05489	2.5
117.07030	2.0
119.06035	1.9
119.08604	3.2
121.01526	3.0
133.10086	2.6
135.04399	7.0
135.05479	3.3
135.08069	16.2
135.11699	86.6
136.02196	12.7
136.06183	26.9
136.07292	3.2
136.07556	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03942	3.7
55.01873	2.4
55.05515	7.3
56.96560	2.7
61.84179	0.6
65.03934	4.1
67.05504	3.6
69.03430	0.8
69.07082	3.0
71.57239	0.7
77.03960	1.1
77.06702	0.6
78.18188	0.6
79.05494	26.6
81.07044	2.8
82.69351	0.6
87.08124	0.7
91.05482	57.2
92.06300	0.9
93.07043	46.9
95.04969	2.7
105.04569	1.4
105.07037	20.1
106.04185	0.9
107.04962	8.4
107.08595	100.0
108.08906	1.3
109.06514	8.5
115.05460	24.5
116.06272	1.3
117.07025	17.4
119.06081	5.8
119.08588	6.5
120.05700	1.2
120.09384	1.9
121.01511	1.5
122.53269	0.8
133.06503	1.3
133.10144	1.0
135.04417	6.3
135.05432	1.2
135.08055	51.7
135.11687	23.7
136.02162	6.6
136.03926	0.8
136.06184	7.3
136.07291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03947	4.7
55.01874	2.0
55.05507	2.7
56.96570	6.9
57.03423	0.6
61.02865	0.8
65.03939	0.6
67.05505	2.0
67.36407	0.6
69.03418	0.9
69.07067	1.5
70.67754	1.4
70.68105	0.8
71.33624	0.6
77.03928	1.5
79.05495	26.5
80.05745	0.7
81.03405	0.9
81.07072	1.5
83.00816	0.6
91.05485	12.2
93.07047	14.2
95.04966	8.3
97.06532	0.8
97.59929	0.7
97.99195	0.9
98.06865	0.9
103.05482	3.7
105.04526	2.2
105.07043	9.4
106.53437	0.6
107.04957	100.0
107.08595	20.8
108.05278	1.0
109.06509	1.1
113.50194	0.6
115.05470	3.9
116.21511	0.6
117.07040	2.6
119.03565	0.7
119.06049	0.9
119.08611	2.4
121.01521	0.7
126.27372	0.6
130.50237	0.6
132.24139	0.8
135.04463	8.7
135.08057	65.5
135.11678	8.2
136.02171	5.7
136.06194	12.2
136.07565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.16114	0.7
53.03952	4.0
55.05515	8.4
55.14173	0.7
56.96571	0.9
57.07061	1.3
64.52339	0.7
65.03931	1.2
67.05487	2.8
69.07059	3.4
69.88484	3.0
77.03941	1.0
78.05675	0.7
79.05493	17.3
81.07063	4.0
91.05483	32.9
93.07044	55.9
95.04952	3.8
105.04510	1.7
105.07030	15.1
106.04140	0.8
107.04943	3.3
107.08593	100.0
107.67673	0.8
108.08934	2.0
109.06514	4.0
115.05448	3.7
117.07021	2.6
119.06090	3.8
119.08572	7.0
120.09345	2.5
133.10156	1.2
135.04419	2.5
135.08052	8.6
135.11687	28.9
136.02165	2.8
136.06181	5.0
136.07541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03932	3.0
55.01864	2.4
55.05511	3.8
56.96555	2.6
65.03928	3.9
67.05493	4.7
67.07510	0.8
69.03408	1.9
69.07066	2.4
69.41246	6.3
77.03939	1.2
79.05494	29.1
81.07056	2.7
91.05482	87.6
92.05779	1.1
93.07043	31.0
94.07823	0.9
95.04996	3.8
103.05454	1.0
105.04501	1.4
105.07034	26.2
107.04951	10.4
107.08595	100.0
108.08923	1.4
109.06522	9.0
115.05453	51.0
116.06241	2.9
117.07019	35.2
119.03559	1.0
119.06071	9.9
119.08577	4.1
120.05737	2.2
120.09347	1.9
129.98399	0.8
133.06511	1.5
135.04483	5.1
135.08054	93.3
135.11684	16.6
136.02167	4.9
136.06201	9.9
136.07288	1.1
136.08453	1.2
139.92567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03943	5.2
53.06488	0.8
55.01863	2.6
56.96556	2.9
62.19523	0.8
67.00681	1.0
67.05481	1.6
70.11149	3.7
72.53702	1.0
77.03936	1.0
79.05495	20.0
91.05483	11.7
93.07040	7.6
95.04957	6.6
98.21422	1.0
105.04511	2.6
105.07056	6.2
107.04958	100.0
107.08586	15.1
108.05254	1.5
115.05492	4.6
117.07018	4.6
119.06075	1.1
121.01550	2.1
135.04439	9.8
135.05424	1.7
135.08054	66.2
135.11662	5.4
136.02171	8.5
136.06189	11.2
136.07578	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03946	9.7
55.01874	12.1
55.05500	6.5
56.96549	3.5
58.44076	1.4
61.63950	1.5
65.03938	9.0
67.05508	10.7
69.03429	14.4
70.56523	4.8
77.03885	2.0
79.05495	74.5
81.07056	5.6
88.13979	1.6
89.03927	4.5
91.05485	100.0
92.06264	2.3
93.07047	45.4
95.04953	9.8
103.05444	1.7
105.04496	2.9
105.06319	1.6
105.07031	35.4
107.04964	19.8
107.08596	90.5
109.01098	2.3
109.06530	14.2
112.01041	2.6
115.05461	28.0
116.06292	2.1
117.07027	31.0
119.03568	3.5
119.06071	8.2
119.08598	2.4
120.05746	2.5
121.01559	3.4
135.04425	23.6
135.05519	3.7
135.08067	85.9
135.10831	2.1
135.11711	22.8
136.02174	31.0
136.03940	3.4
136.06197	39.6
136.07553	6.6
136.08459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.04864	3.2
53.03957	7.4
54.17830	4.1
54.23343	3.6
55.01878	26.2
62.98257	5.5
65.03935	8.8
67.05507	8.5
69.03097	4.1
69.03431	27.7
71.01122	3.5
71.01478	8.3
79.05496	66.0
91.05491	100.0
93.07040	24.6
94.04093	5.3
95.04971	12.9
105.07054	37.2
107.04984	9.2
107.08612	84.0
109.06500	13.8
115.05470	38.3
117.07045	37.5
119.03555	8.4
119.06064	12.5
135.04454	8.0
135.08072	98.4
135.11655	10.7
136.02150	22.7
136.06200	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09420	2.8
55.01884	3.3
57.03429	18.1
58.44959	3.1
58.99875	3.2
68.02671	4.2
69.03445	5.1
69.25900	3.2
70.06600	64.1
70.47515	12.4
70.47864	3.8
71.05000	100.0
72.08160	29.5
73.02921	47.8
73.72813	3.1
74.02438	12.1
78.52965	4.5
84.52949	3.8
85.02904	9.1
86.52721	5.8
88.02697	17.2
88.04031	4.8
88.07642	46.9
89.00924	3.5
90.09205	29.7
93.01884	18.5
98.06047	6.9
98.52741	3.4
99.53503	4.5
100.02477	15.0
101.00890	28.3
102.02431	17.3
111.02938	5.6
113.00883	4.4
113.53186	4.5
115.02479	3.7
116.07155	3.7
118.03522	7.5
119.01933	49.4
122.53710	7.7
124.02464	18.2
131.01932	13.8
134.08136	7.3
134.11778	85.7
137.02991	12.1
142.03516	71.3
143.03635	9.2
154.03482	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03933	2.8
55.01874	20.9
56.96559	3.2
65.03939	10.1
67.05515	10.0
69.03432	21.6
70.38954	1.5
70.39301	5.4
79.05495	69.8
81.07055	2.3
91.05483	100.0
92.06288	2.7
93.07049	29.5
94.04076	2.2
95.04987	8.8
105.07037	43.3
105.62755	1.2
106.04198	1.7
107.04961	9.3
107.08599	88.6
108.13971	1.4
109.06530	16.2
112.01044	2.2
115.05464	32.5
117.07021	35.4
118.07481	1.2
119.03594	1.7
119.06072	12.0
119.08563	2.2
120.05708	1.8
121.01611	2.6
124.05222	1.9
135.04428	5.8
135.08063	73.5
135.11674	11.7
136.02179	13.6
136.05154	2.4
136.06187	30.5
136.07550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
56.96561	11.5
57.03440	65.9
58.99851	5.4
61.02928	6.3
65.52188	7.2
69.03426	12.7
70.59174	7.2
70.59548	7.0
70.99846	3.9
72.52959	17.7
73.02901	16.8
77.52161	22.5
78.52959	10.3
79.02174	7.4
81.03428	6.3
81.53483	5.9
82.01440	29.8
82.99835	9.9
84.52953	5.4
85.02892	6.9
85.51915	4.1
85.53748	10.3
86.52702	100.0
87.02758	13.8
88.02682	26.0
88.51693	4.6
88.52774	5.6
89.00893	5.5
93.01894	8.1
95.53221	33.1
97.01396	3.9
97.03243	3.8
98.52684	6.1
99.04465	6.4
99.53462	13.0
100.02484	56.2
100.19801	3.9
101.00884	69.1
101.02544	9.4
102.00986	7.1
102.02409	22.7
103.02435	4.5
108.54084	3.6
109.02879	3.8
111.02935	21.4
113.00863	15.2
113.53198	11.1
115.02426	10.4
118.03522	13.7
119.01143	6.8
119.01929	77.2
120.02060	10.8
121.01701	10.8
122.53710	4.6
124.02431	35.2
125.02506	4.2
128.49492	6.1
129.04012	3.6
131.01909	40.4
133.03461	8.0
134.09779	4.9
136.02458	4.8
137.02882	6.9
139.02567	3.4
142.03502	95.9
143.01880	15.1
143.03670	12.2
145.03488	6.7
154.03494	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.07293	0.5
52.21198	0.5
53.03939	1.9
54.67374	0.5
55.05503	1.8
56.96549	1.3
67.05501	1.8
69.03423	0.6
70.61240	0.5
71.57232	0.7
79.05503	6.6
87.10034	0.8
88.02213	1.8
91.05488	37.4
91.17506	0.5
93.07043	1.2
95.04992	0.8
97.02921	0.7
103.05473	2.8
105.07038	100.0
106.07340	0.7
107.08663	0.5
112.02187	0.8
115.05462	2.2
117.07009	1.7
118.07824	1.2
123.08015	1.1
131.08578	5.5
133.02760	0.7
133.06496	8.0
133.07600	2.3
133.10143	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.01875	5.3
56.96563	14.9
57.03441	76.0
58.03774	4.1
58.99856	4.2
59.52203	4.3
61.02930	4.8
65.52193	6.2
68.98295	5.1
69.03424	16.3
70.99859	3.9
71.19849	5.4
72.52974	21.8
73.02926	20.8
77.52180	27.8
78.52963	14.2
79.02162	8.0
79.51933	3.7
80.52724	6.0
81.03422	10.4
81.63562	3.4
82.01452	37.4
82.99854	10.4
83.68181	3.4
84.52964	5.7
85.01422	4.0
85.02900	6.0
85.53736	11.7
86.52705	93.5
87.02793	20.7
88.02685	31.3
88.52703	3.5
90.52905	4.6
93.01895	9.0
93.53479	10.4
95.01369	3.4
95.53217	42.9
95.67303	3.3
96.03287	10.5
98.52707	4.1
98.97606	4.1
99.04481	5.4
99.53482	18.3
100.02485	55.9
101.00893	61.7
101.02568	6.3
101.53205	3.7
102.00970	5.6
102.02394	13.4
103.02477	4.5
104.52712	5.4
110.54488	3.7
111.02917	16.6
113.00916	18.5
115.02424	14.0
118.03545	18.7
119.01926	77.0
119.43057	3.4
119.53391	4.5
120.02041	7.2
121.01678	4.8
122.53713	7.4
124.02456	34.8
125.02586	5.0
126.04073	4.6
127.02419	3.8
131.01932	32.9
131.54192	4.0
132.02077	6.1
132.54967	3.4
133.03494	8.0
134.06062	7.5
137.02995	7.2
137.98354	4.1
142.03511	100.0
143.01900	13.0
143.03616	11.2
145.03479	10.4
147.01395	5.9
147.05087	4.9
149.02995	5.3
154.03511	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03935	0.7
55.05505	1.2
55.74329	0.5
56.96540	0.5
67.05508	0.6
70.89364	1.3
79.05489	4.6
90.58501	0.4
91.05482	19.6
92.04183	0.5
93.07045	4.6
95.04984	0.7
97.02880	0.5
103.05494	2.5
105.03394	0.9
105.07033	45.3
107.08603	1.5
109.16922	0.5
113.92538	0.5
115.05450	4.4
116.06274	0.8
117.07012	5.2
118.07798	6.4
123.07916	0.9
123.57572	0.5
131.08554	6.3
133.02841	0.6
133.06493	2.0
133.10133	100.0
134.10463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.6
54.74612	0.6
55.01887	0.7
55.05509	2.6
56.96560	1.4
57.40623	0.6
65.03934	0.8
67.05499	0.8
69.03427	0.7
71.21233	1.3
73.02908	0.7
74.02441	1.0
77.03909	0.8
78.41036	0.5
79.05493	5.5
86.30057	0.5
87.10043	0.7
91.05486	22.3
93.07059	5.5
97.02905	0.6
103.05475	2.9
105.03426	0.7
105.07037	63.5
106.06592	0.7
107.08595	1.5
112.02197	1.7
113.02966	0.6
115.05460	5.4
116.06276	1.0
117.07032	5.0
118.07814	5.7
123.07941	2.0
131.08580	8.7
133.02802	1.0
133.06558	5.1
133.10138	100.0
134.10454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03949	1.3
55.01882	0.7
55.05517	4.4
56.96561	0.7
65.03951	1.2
67.05509	8.1
70.06572	0.7
71.57233	0.9
74.02446	1.0
78.66129	0.6
79.05494	7.8
91.05487	100.0
92.05787	0.7
93.07048	2.7
97.02931	0.7
103.05475	1.7
104.06282	0.8
105.03429	0.9
105.07038	75.8
106.07378	0.8
112.02160	0.8
115.05467	2.6
117.04992	0.6
117.07014	1.9
118.07805	2.0
123.07933	1.2
131.08603	6.0
133.02850	0.9
133.06558	5.1
133.10136	48.1
134.06012	0.7
134.10472	0.8
140.31932	0.8
144.04817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03951	1.2
55.05516	3.9
65.63937	0.6
66.16393	0.6
67.05503	2.6
71.52721	1.4
72.44780	0.6
79.05499	5.7
87.10034	0.8
87.50681	0.6
88.02224	2.0
91.05485	37.8
93.07036	1.5
103.05473	3.0
105.07037	100.0
106.07380	0.9
115.05459	1.1
117.07042	1.2
118.07769	0.9
131.08557	5.7
133.06485	3.4
133.07486	1.1
133.10138	45.3
134.10483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48624	0.4
53.03939	0.9
54.86942	0.4
55.05502	1.6
56.96560	0.8
61.55867	0.4
65.03926	0.6
67.05501	0.9
69.41870	1.6
69.42299	2.1
73.02886	0.5
74.02461	0.7
79.05499	5.0
81.04541	0.4
88.02226	1.2
91.05487	15.1
93.07055	4.6
95.04957	0.9
97.02898	0.9
103.05494	2.6
105.03391	0.8
105.07036	42.8
106.07364	0.5
107.08603	1.2
112.02204	0.9
115.05447	4.8
116.06245	0.8
117.07018	5.3
118.07826	6.1
123.07965	1.6
129.06989	0.6
129.10710	0.4
131.08574	6.3
132.26500	0.5
133.02898	0.6
133.06660	2.6
133.10138	100.0
134.10457	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17861	0.3
56.96558	0.9
58.99841	0.3
64.17721	0.3
70.23890	0.6
70.99854	0.3
77.61616	0.3
80.09262	0.3
82.01457	1.1
82.29990	0.2
82.74976	0.3
82.99846	5.6
83.01508	3.2
83.65998	0.3
84.01171	0.5
84.08130	0.3
89.00843	0.4
100.02482	1.9
101.00889	49.5
101.02560	5.7
102.00964	0.5
102.02235	1.0
109.02867	0.3
110.01331	0.3
118.03546	0.6
119.01928	100.0
120.01994	1.6
121.02425	0.3
124.02465	1.2
124.03968	0.9
124.07613	0.4
133.03416	0.3
137.02968	18.6
138.03061	0.6
140.24139	0.3
142.03500	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.14844	0.4
69.07070	1.7
70.79710	1.0
86.09710	100.0
87.10028	0.8
100.33414	0.4
104.64130	0.5
132.10199	1.8
148.54301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43089	0.7
53.03939	1.0
55.05515	4.0
56.96559	1.3
57.07074	4.8
57.88847	0.7
62.02120	0.7
67.05170	1.4
67.05508	20.1
69.07068	0.9
69.98789	1.5
69.99202	3.3
78.03452	1.0
79.01853	2.7
79.05498	13.3
80.05022	8.8
81.07061	100.0
82.01446	7.0
82.07394	0.9
84.10669	0.8
88.02367	1.0
93.01718	0.8
93.07056	2.4
94.07860	1.0
95.04971	6.4
95.08611	12.5
96.04501	2.6
98.21438	1.1
100.02495	13.5
105.07023	1.4
106.02916	0.7
108.07690	1.4
118.03535	4.7
123.04575	1.9
123.05560	34.8
123.08060	6.4
123.10008	3.3
123.11707	22.0
124.03950	5.6
140.31892	0.8
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
51.43089	0.7
53.03939	1.0
55.05515	4.0
56.96559	1.3
57.07074	4.8
57.88847	0.7
62.02120	0.7
67.05170	1.4
67.05508	20.1
69.07068	0.9
69.98789	1.5
69.99202	3.3
78.03452	1.0
79.01853	2.7
79.05498	13.3
80.05022	8.8
81.07061	100.0
82.01446	7.0
82.07394	0.9
84.10669	0.8
88.02367	1.0
93.01718	0.8
93.07056	2.4
94.07860	1.0
95.04971	6.4
95.08611	12.5
96.04501	2.6
98.21438	1.1
100.02495	13.5
105.07023	1.4
106.02916	0.7
108.07690	1.4
118.03535	4.7
123.04575	1.9
123.05560	34.8
123.08060	6.4
123.10008	3.3
123.11707	22.0
124.03950	5.6
140.31892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03948	0.6
55.05515	1.1
56.96564	0.7
65.03604	0.8
65.03941	13.2
70.95458	1.3
79.05484	0.6
91.05484	100.0
92.05798	0.5
101.88844	0.6
119.04947	51.8
119.08578	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	1.5
54.04280	0.8
65.03936	1.4
71.46312	0.8
73.08478	0.8
73.25576	0.5
79.05481	3.9
91.05483	100.0
93.07041	2.5
95.04980	0.8
96.05289	0.9
103.05478	4.6
104.06257	5.0
108.84279	0.7
115.05456	2.1
117.07015	11.3
119.04939	2.0
119.06073	3.0
119.06857	2.3
119.08585	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99853	1.1
71.21595	1.2
82.01447	49.1
83.01558	1.0
100.02487	100.0
101.00894	8.8
101.02596	1.0
108.23270	0.9
112.35199	0.7
118.03529	24.6
119.01921	16.5
123.04019	0.9
137.02971	2.9
142.03520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63629	1.0
61.47404	0.9
70.76483	1.7
82.01447	53.3
82.99804	1.4
100.02486	100.0
101.00890	5.8
118.03523	31.2
119.01903	9.7
119.32597	0.9
123.04031	1.3
130.39389	0.9
130.45930	1.0
131.03885	0.9
133.47131	0.9
137.02892	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.39925	1.2
59.86605	1.4
70.46314	4.0
73.02897	1.4
74.01293	1.2
76.00440	1.2
80.05022	2.5
81.01916	1.7
81.43661	1.3
82.01446	55.4
83.01509	1.3
88.02676	2.4
93.42664	1.2
100.02484	100.0
101.00861	7.6
101.02560	2.8
111.02914	1.7
118.03525	31.0
119.01932	11.5
123.04105	2.2
123.05545	8.7
124.02486	1.4
137.02948	2.2
142.03468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05510	1.6
56.96338	1.0
56.96571	12.7
57.03434	2.4
58.99873	1.4
66.73616	1.0
67.05503	9.1
70.06596	3.5
70.98122	2.8
71.56063	1.5
72.08144	1.5
77.03953	1.2
78.03449	2.1
78.06337	1.1
79.05481	3.8
80.04562	2.0
80.05014	27.7
81.03423	1.9
81.07047	3.9
82.00969	2.3
82.01440	29.3
84.01534	2.9
84.08131	4.2
91.00499	2.3
94.54258	2.0
95.04965	27.8
95.08588	3.3
96.04492	8.6
97.00517	1.5
98.01345	1.2
98.97588	1.9
100.00022	1.1
100.02483	67.5
101.00912	6.9
102.53075	1.2
103.54782	2.2
105.03359	1.6
105.04491	1.6
105.07022	1.5
106.01033	2.8
106.02895	2.6
109.00509	2.2
110.64483	1.1
111.53609	1.6
112.07613	3.0
116.98621	1.4
118.03522	23.1
119.01131	1.6
119.01917	15.6
120.00740	1.2
123.04435	23.1
123.05542	100.0
123.08053	5.1
123.11694	1.5
124.03949	7.0
124.07562	1.3
127.68766	1.1
128.98656	1.3
137.02945	2.6
142.03477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02382	3.7
53.03709	2.9
53.03950	47.0
55.01869	2.7
55.05500	5.6
58.06593	9.1
59.07380	3.7
69.03455	1.4
69.39197	4.6
69.39613	7.5
70.06591	4.7
72.08159	51.9
77.03934	6.1
81.03406	4.1
83.52345	3.0
87.04472	4.4
87.14316	1.6
91.05484	10.8
95.04974	42.4
98.20766	2.3
100.07623	3.2
100.11279	2.4
101.06016	2.2
102.91383	1.7
105.04521	23.0
116.05827	1.6
117.06995	2.5
118.06549	100.0
118.07314	4.0
118.08648	22.9
118.12302	3.6
119.08581	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21419	2.4
54.18978	2.4
56.96571	3.6
63.59560	2.2
63.83688	2.3
67.05492	2.9
67.37289	2.1
68.66600	2.5
69.03427	16.9
71.55714	4.4
75.76225	2.6
78.52970	3.7
82.01460	18.1
82.99844	4.6
84.01199	2.9
85.01409	3.8
91.05471	7.3
93.53491	3.1
100.02486	34.5
101.00890	50.5
101.02580	6.4
103.02478	3.7
107.05202	5.5
116.05794	2.7
118.03510	5.9
119.01930	100.0
137.02953	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05509	1.3
56.05004	1.2
56.05847	1.3
56.96566	4.4
59.52177	1.1
64.98774	0.8
67.05498	1.3
69.03431	9.6
69.11066	0.8
69.24909	7.8
71.01363	1.3
71.02976	2.3
71.06918	1.0
71.53012	1.3
72.02860	1.0
72.08143	2.5
73.02901	1.6
73.08491	8.0
74.06081	2.0
74.50018	4.2
78.52956	2.1
79.05475	1.5
82.01438	10.7
82.99832	3.3
83.01516	4.1
83.50531	4.2
84.01193	3.8
84.52957	1.0
85.01439	0.8
86.52705	2.6
87.00851	1.5
87.02486	1.3
87.53478	1.2
89.03481	1.0
91.04968	1.4
91.05481	13.2
93.53472	2.1
94.52418	1.4
95.52350	4.3
98.20750	1.3
100.02482	21.9
101.00881	33.5
101.02548	8.9
102.02236	10.2
102.05567	1.1
103.02442	1.1
104.52862	8.2
107.04941	2.2
112.07608	2.2
115.04070	1.3
116.03761	1.2
118.03504	6.9
119.01922	100.0
119.03587	4.9
119.04951	1.9
119.06079	0.8
119.08480	1.5
119.09087	1.5
120.02057	1.2
120.03259	2.7
131.01871	1.7
132.05006	0.8
133.03476	2.1
136.02237	0.9
137.02966	24.4
137.04025	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.4
51.02378	4.5
53.03947	39.1
55.05508	3.9
58.06599	1.9
58.85089	1.3
69.45614	8.8
70.06607	2.1
72.08155	21.8
74.51855	2.4
76.54758	1.1
77.03934	7.2
81.03402	3.3
83.52360	2.1
87.04474	2.9
89.06396	1.4
91.05489	11.5
92.05778	1.3
92.97201	1.2
95.04971	44.1
98.20712	2.2
100.07616	1.9
101.06013	1.8
105.04517	23.0
116.05779	3.4
117.07019	1.8
118.06551	100.0
118.07339	6.6
118.08683	4.8
118.67780	1.3
119.06880	1.9
119.08591	6.9
121.64113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01599	1.2
51.02370	2.6
53.03708	2.2
53.03949	41.8
55.05507	3.9
55.71938	1.2
58.06584	1.5
64.21227	1.3
70.06590	2.0
71.37376	2.4
71.39932	1.3
71.41019	1.2
72.08154	32.4
74.51826	1.7
77.03925	8.8
81.03394	3.2
83.52367	5.6
87.04464	1.8
91.05485	15.3
92.52863	1.4
95.04369	2.4
95.04974	42.3
101.06030	1.5
105.04515	21.1
116.05812	2.5
117.07048	1.8
118.06551	100.0
118.07320	6.3
118.08680	5.9
118.12277	1.5
119.08553	6.9
131.90588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39991	0.7
53.03935	1.5
55.05512	30.8
56.05033	1.4
57.07088	1.1
58.06604	3.0
66.09778	0.7
67.05500	1.7
68.05025	3.6
69.03446	1.5
69.04569	1.1
69.07067	100.0
70.06590	13.4
71.07370	0.7
71.16746	1.5
71.17090	0.7
77.72060	0.7
79.54397	0.6
83.04990	2.2
83.06116	4.5
84.08146	1.3
88.00503	1.8
88.10915	0.5
94.02960	0.8
94.06564	2.2
96.05623	0.9
97.00987	0.8
110.07143	2.1
111.04436	2.2
111.05591	9.2
111.06345	1.3
111.06766	1.1
111.07507	2.2
111.08070	1.6
111.09200	39.7
111.11718	1.5
112.08742	3.5
112.11283	0.8
112.69073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.4
68.05034	0.3
69.37079	1.1
70.06594	100.0
71.06921	0.4
72.08131	0.2
74.00275	0.2
74.93828	0.3
79.51483	0.2
82.01449	0.2
83.00784	0.3
91.00545	0.3
92.01308	0.1
92.94834	0.2
93.04294	0.2
98.09740	0.2
98.97594	0.7
100.02493	0.3
109.02860	0.4
116.07096	15.7
116.10737	0.4
116.98616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99429	0.1
68.05036	0.3
70.06596	100.0
70.23694	0.2
70.24071	0.2
71.06926	0.4
116.07100	15.5
117.07465	0.1
122.48478	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	116.0709
Annotation	D-Proline
Peak:m/z	Relative Intensity
50.92053	0.1
68.05032	0.3
70.06595	100.0
70.23951	0.4
71.06915	0.3
98.20852	0.2
116.07099	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02386	3.7
53.03707	2.7
53.03949	47.7
55.01896	1.6
55.05504	5.3
59.07385	2.2
70.06598	2.8
71.00900	4.1
72.07791	2.3
72.08159	18.6
77.03925	7.7
81.03430	3.9
83.52340	2.3
87.04458	1.8
91.05486	10.0
95.04974	36.0
95.40386	1.6
100.07626	1.8
105.04523	23.7
114.26166	1.9
118.06552	100.0
118.07332	6.6
118.08655	5.3
119.08562	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03940	3.3
55.05511	9.1
65.03940	3.6
67.05507	100.0
69.07085	4.6
70.49509	2.7
74.99851	0.9
77.99944	1.9
79.05493	6.3
80.06290	1.0
81.03426	4.8
81.07057	28.8
86.00692	2.2
86.50613	1.1
87.00471	8.0
91.05486	1.0
97.51488	1.0
107.08614	3.1
109.02921	1.2
109.06530	5.6
109.07644	1.1
109.10159	54.4
110.06073	1.2
111.96881	1.3
113.96406	2.4
125.76933	0.8
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
50.55772	0.6
53.03954	3.4
55.05513	8.8
59.27831	0.5
65.03940	3.5
65.68792	0.6
67.05507	100.0
68.58252	0.7
69.07066	4.5
71.07790	1.5
77.50059	0.7
77.99947	1.6
79.05492	8.4
80.06274	0.7
81.03419	5.5
81.07059	29.5
86.00698	3.1
86.50626	1.9
87.00468	8.3
91.05468	1.2
94.04189	0.7
94.07862	0.9
96.00993	1.2
96.89472	0.7
98.51249	1.3
106.05302	0.6
107.08593	3.2
109.02877	2.4
109.06521	7.7
109.07661	1.5
109.10163	53.1
110.06049	1.3
111.96899	1.2
113.96419	3.4
129.97876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	4.2
55.01877	0.5
55.05517	8.7
58.38174	0.5
65.03947	3.0
66.28339	0.5
66.67322	0.6
66.94962	0.5
67.05507	100.0
69.07059	5.1
71.46394	1.0
77.00169	0.7
77.50117	1.2
77.99955	2.6
79.05499	7.0
79.65372	0.5
80.06290	1.2
81.03424	7.3
81.07062	32.5
86.00703	4.2
86.50607	2.9
87.00475	9.7
91.05487	1.4
94.04174	1.3
94.07851	1.6
96.00986	1.0
97.51519	1.2
98.51257	1.3
107.08612	4.9
109.02880	2.5
109.06529	9.9
109.07656	1.1
109.10160	65.8
110.06056	1.4
110.10503	0.9
110.31000	0.6
111.96832	1.1
112.96764	0.8
113.96415	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03950	6.2
55.01874	4.2
55.05503	1.6
65.03934	3.3
67.05507	22.6
69.00079	0.4
69.07066	1.1
70.73314	0.9
71.26369	0.4
71.32622	0.5
74.99850	0.5
77.99948	1.4
79.05498	28.1
81.03425	6.5
81.07059	33.9
86.00702	4.8
86.50634	1.3
87.00471	8.1
91.05484	8.6
94.04208	2.8
98.51279	0.6
107.04956	1.0
107.08637	0.9
109.02882	2.0
109.06522	100.0
109.10157	15.7
110.06080	1.0
110.06815	0.7
111.96872	1.7
113.96400	2.5
114.62406	0.5
129.27739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.10947	0.8
53.03950	10.3
55.01868	1.2
56.96554	3.5
61.73048	0.9
62.99063	2.2
63.24213	0.9
65.03942	11.7
67.05510	7.6
69.35384	1.0
71.08336	0.8
71.56721	0.9
75.01030	2.4
77.03944	1.4
79.05496	87.6
81.03401	1.5
84.01555	5.1
86.86588	0.9
91.05486	100.0
92.06263	3.5
93.02086	1.5
95.04977	8.3
105.04515	3.8
105.07030	27.3
106.06600	1.2
107.04958	32.9
107.08597	38.4
109.06530	9.1
119.06068	10.1
124.05172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.58731	0.3
53.03952	0.9
54.29541	0.3
55.01875	1.0
56.96560	1.5
62.99073	0.6
65.03948	11.9
67.05193	0.5
67.05504	2.9
69.59743	1.1
69.60145	0.9
75.01041	0.8
79.05502	15.5
79.05966	0.8
84.01572	1.8
91.05489	100.0
91.21703	0.3
92.05814	0.4
92.06272	2.5
93.02067	0.5
95.04989	1.6
105.07040	35.5
106.04150	1.0
107.04969	5.4
107.08602	59.9
108.08912	0.5
109.06525	14.1
119.06080	12.4
124.05206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.03097	0.7
53.03951	12.4
55.01874	4.6
55.05517	7.7
57.58384	0.6
65.03934	4.7
66.04733	1.0
67.05507	73.8
69.07069	4.0
69.39911	3.0
69.40317	1.5
72.93778	0.8
74.99837	0.8
77.00185	0.8
77.99944	2.6
79.05497	35.7
81.03426	22.4
81.07060	51.5
86.00707	6.4
86.50626	1.9
86.99931	0.7
87.00470	12.4
87.39680	0.6
90.92970	0.6
91.05484	8.8
94.04187	3.2
94.07841	1.3
95.01215	0.6
95.04964	1.3
96.00991	0.9
105.16080	0.6
107.04968	0.9
107.08630	3.1
109.02886	7.4
109.06522	100.0
109.10160	52.0
110.06049	2.4
111.96891	1.9
112.96681	0.6
113.96368	3.0
122.73083	0.5
129.97906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	3.2
59.07376	1.0
60.08162	33.4
61.08489	0.1
68.05030	0.3
69.03426	3.2
70.04311	0.1
86.06065	2.2
86.09695	0.1
87.04465	9.0
88.04774	0.0
88.07618	0.1
88.36829	0.0
89.08435	0.0
104.10738	100.0
105.10452	0.0
105.11059	0.3
122.23027	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92336	0.2
58.06594	2.8
59.07386	1.0
60.08164	32.7
65.25040	0.2
68.05035	0.2
69.03435	2.0
70.99777	0.5
86.06076	1.6
87.04468	6.1
88.95570	0.2
100.06859	0.2
104.10744	100.0
105.11072	0.2
114.77556	0.2
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
58.06599	3.0
58.15789	0.2
59.07393	1.0
60.08167	31.1
68.05032	0.4
69.03432	3.0
69.91304	0.4
69.91727	0.6
86.06080	2.1
87.04471	8.5
104.10750	100.0
105.11047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	1.3
53.03953	9.6
55.01891	0.5
60.08156	0.9
60.50166	0.4
60.95852	3.4
61.01147	0.8
61.08494	1.1
64.95557	0.5
69.50701	0.6
70.00903	0.4
70.03754	0.7
70.06584	0.4
71.56852	0.5
75.20760	0.4
77.03927	2.0
79.05499	32.8
81.01514	1.1
81.03442	0.7
82.47702	0.6
87.00832	2.0
88.04810	2.7
91.48176	1.2
91.79049	0.4
95.04976	9.4
97.23563	0.5
103.05476	27.5
104.90815	0.6
105.03410	3.0
105.04537	5.7
105.07039	100.0
105.11079	6.5
105.97327	0.5
113.98907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
52.55714	0.8
53.03951	17.0
55.01871	1.4
56.96566	17.6
57.03439	1.1
58.50544	1.5
58.96180	1.1
60.08161	1.0
67.51056	2.3
70.01308	1.0
70.46583	0.9
70.99935	1.3
71.00254	1.1
76.51595	1.1
77.03935	5.8
79.01845	2.5
79.52052	2.1
81.03400	1.9
83.80788	0.9
85.02921	2.2
87.04484	2.5
88.58871	0.9
89.52370	1.1
95.04973	18.8
102.04675	4.6
103.04032	4.5
103.05473	100.0
104.10756	4.2
105.04529	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	103.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51671	0.8
53.01945	0.3
53.03949	0.3
55.01874	1.2
55.05509	1.3
56.05038	1.7
56.96574	6.8
57.03449	1.4
58.01464	1.1
58.06603	0.6
58.50558	0.4
58.96172	7.2
58.99832	1.4
59.50347	1.0
59.52197	1.8
59.96180	1.9
60.00341	0.6
60.04535	0.4
60.50192	3.9
60.95855	20.4
62.02467	3.7
62.52505	0.4
63.02367	0.7
65.52195	0.3
67.01866	0.5
67.51070	0.8
68.01241	0.5
68.05038	0.3
68.50863	2.7
68.52716	0.3
68.98287	0.4
69.00878	0.4
69.03441	0.7
69.25220	2.0
69.25628	0.5
69.50711	7.8
69.52445	0.6
70.51521	0.4
71.01131	0.6
71.02989	35.7
71.52196	0.6
71.52713	0.3
71.53046	2.9
72.00977	1.7
72.02854	2.1
75.94556	0.8
76.02524	0.4
76.51583	0.3
77.00911	1.3
77.51379	1.2
78.03790	0.3
78.51226	2.9
78.52966	5.9
78.96909	0.4
79.01834	0.4
79.52047	0.7
80.01661	3.3
80.03022	1.0
80.03509	32.2
80.51748	1.1
80.52706	4.4
80.53243	2.1
80.53674	3.9
81.01498	8.9
81.03374	4.0
82.01447	39.6
82.05320	0.9
82.53767	2.6
82.99852	0.6
83.01487	3.3
83.02976	1.2
83.03750	0.5
83.04980	1.0
84.01195	2.7
84.04510	0.6
85.01498	0.4
85.02914	0.9
86.06071	0.8
86.99328	0.7
87.04467	1.5
87.53488	1.2
88.52560	0.5
89.02184	1.8
89.03471	0.9
89.04037	1.5
89.52365	1.6
89.53242	2.6
89.53760	0.5
90.02009	2.5
90.03823	0.4
91.53734	1.6
91.54301	3.4
92.01128	0.5
92.03496	8.3
92.04390	0.5
92.52210	0.4
92.52710	0.8
92.53556	1.1
93.04272	0.4
98.52914	0.6
100.02486	100.0
100.52409	0.4
101.00899	8.2
101.01605	1.4
101.02567	9.9
101.03995	0.7
102.00984	0.3
102.02245	5.9
102.02888	0.3
102.96873	2.1
103.00630	3.0
103.02555	1.4
103.03961	1.2
103.05493	0.4
103.54285	0.5
105.00388	0.9
105.06989	0.3
109.02879	1.2
115.01205	0.6
115.02444	0.7
116.00201	0.3
117.04008	0.6
118.03526	39.0
119.01926	26.3
119.03629	4.0
120.02037	2.0
120.03255	1.9
120.97943	1.6
121.01674	9.9
121.03573	1.0
122.02036	0.5
123.04084	2.9
124.02468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1010.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02963	0.2
70.06593	1.1
71.05000	1.7
72.04521	1.1
73.02930	0.8
74.06059	0.4
79.05502	1.4
80.05022	3.0
81.03420	1.8
81.07051	2.2
82.06564	0.9
83.04977	0.3
83.08607	0.2
84.04505	0.5
84.08128	0.4
85.02906	6.0
85.06541	0.4
86.06060	0.8
86.09709	0.3
87.04467	0.9
90.05545	2.1
91.03992	0.2
91.05473	1.1
92.05031	0.3
93.07052	1.3
94.06570	2.2
95.04953	0.4
95.08604	1.8
96.04497	1.1
96.08139	0.7
97.02890	2.4
97.06532	3.1
98.06049	0.7
98.21514	0.2
99.04453	0.3
100.07593	0.2
102.05537	0.4
105.07046	0.7
106.06567	0.9
107.07352	0.2
107.08601	1.0
108.04504	0.2
108.08125	0.7
109.02879	0.6
109.05247	0.3
109.06509	0.3
109.10156	0.8
110.06029	1.3
110.09685	0.3
111.08081	0.6
112.07615	0.3
114.05553	1.1
116.07114	0.4
117.06998	0.3
119.08559	0.9
120.08103	0.8
121.10158	0.7
122.06016	0.7
123.08101	0.4
124.07616	0.5
127.03928	1.0
132.06569	11.0
133.10149	0.6
134.09669	0.3
135.11720	0.3
136.07599	0.5
138.09148	0.3
142.08653	0.2
145.05045	0.4
145.10161	0.4
146.09680	0.4
147.10561	0.2
147.11711	0.4
148.11200	0.2
150.09192	0.3
184.07410	0.6
188.14307	0.2
190.15903	0.4
191.08105	0.2
195.17534	0.3
206.15475	0.3
207.17494	0.3
208.17032	0.2
210.18661	0.2
211.16946	1.6
218.15457	0.8
220.17033	0.5
224.20091	1.6
230.19203	0.2
232.17078	0.2
234.18552	0.4
237.18524	1.6
238.21671	0.8
242.19148	0.2
244.20686	0.3
247.25122	0.2
248.16469	0.3
248.20108	1.8
249.18503	0.3
250.21748	0.5
252.19633	0.9
253.69995	0.2
254.19144	0.2
260.20105	8.4
262.18262	0.3
262.18692	0.3
262.21671	2.2
266.21179	3.5
267.19540	0.3
270.20712	0.5
272.20139	3.7
278.21170	2.3
280.22516	0.2
284.22256	0.2
290.21158	9.9
291.21478	0.4
308.22205	5.9
308.25720	0.3
309.22714	0.2
326.23273	13.2
327.23563	0.3
332.22696	0.2
344.24326	16.4
345.24725	0.4
362.25363	13.9
363.25839	0.3
368.24521	0.3
386.25363	0.5
404.26672	0.2
470.27011	0.2
488.28525	0.5
506.29596	1.7
522.29230	1.7
523.29504	2.4
524.30670	100.0
525.30981	1.6
756.45819	0.2
END